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Journal articles on the topic 'Charge energie'

Author: Grafiati

Published: 4 June 2021

Last updated: 2 February 2022

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1

Pontana, F., J. B. Faivre, M. Rémy-Jardin, T. Flohr, I. Tillie-Leblond, V. Pansini, and J. Rémy. "Perfusion en scanner double energie : application a la prise en charge de l’embolie pulmonaire." Journal de Radiologie 88, no. 10 (October 2007): 1388. http://dx.doi.org/10.1016/s0221-0363(07)81126-7.

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2

Susanti, Endang. "PERANCANGAN SOLAR CELL SEBAGAI SUMBER ENERGI LISTRIK ALTERNATIF UNTUK PENERANGAN LOBBY FAKULTAS TEKNIK UNIVERSITAS RIAU KEPULAUAN." SIGMA TEKNIKA 2, no. 2 (November 30, 2019): 151. http://dx.doi.org/10.33373/sigma.v2i2.2048.

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Electricity is one of the most important needs of the community electricity shorttages are very disturbing human activities as well as the University of Riau Islands campus is very dependent on electricity supply from PLN, because this campus conducts tearning activities at night, the current energy is mustly fulfilled by fosil fuel energy such as petroleum, coal and natural gas but the supply of this energie is decreasing, PLN which as a supply of electricity is very dependent on fossil fuels so that PLN can at any time turn out blackouts on the campus of the University of Riau Islands very disturbed with the rilling blackout because the campus will be dark.there needs to be alternative energy at least illuminating as long as the electricity from PLN is on, this research and design is to build asolar electricity supply sistem to help temporary lighting in this design. PLTS is utilized as Alternative electrical energy to illuminatethe lobby of the Faculty of engineering Universitas Riau.Byusing50Wp solar cell panel,charge controller to maintain the stability of the sistem and 42 Ah batrtery, by using this sistem Dc lamps as a load of 54 Watt batrei capacitycan be lit during a blackout from the PLN.

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3

Kuo, S. P., and M. C. Lee. "Acceleration of charged particles by large-amplitude electromagnetic waves." Journal of Plasma Physics 52, no. 2 (October 1994): 339–42. http://dx.doi.org/10.1017/s0022377800017943.

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The fundamental process of acceleration of charged particles by large-amplitude electromagnetic waves is investigated. Exact analytical solutions can be derived from the nonlinear equations that govern the motion of charged particles in wave fields. It is found that circularly polarized electromagnetic waves can act on the charged particles via α d.c. Lorentz force imposed by the wave fields. This process can effectively energize charged particles that may initially have low energies.

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4

Brenac, A., F. Chandezon, H. Lebius, A. Pesnelle, S. Tomita, and B. A. Huber. "Multifragmentation of Highly Charged C60 Ions: Charge States and Fragment Energies." Physica Scripta T80, B (1999): 195. http://dx.doi.org/10.1238/physica.topical.080a00195.

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5

Firląg, Szymon, Agnieszka Kaliszuk-Wietecka, and Bartosz Witkowski. "The influence of climate change on the energy performance and thermal comfort in building." BUILDER 274, no. 5 (April 24, 2020): 56–58. http://dx.doi.org/10.5604/01.3001.0014.0539.

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Wpływ zmian klimatu na charakterystykę energetyczną i komfort cieplny budynku. Obserwowane obecnie ocieplenie klimatu powoduje, ze zmienia się zapotrzebowanie budynków na energię oraz komfort ich użytkowników. Wiąże się to z koniecznością modyfikacji systemów instalacji cieplnych i stosowania systemów klimatyzacji. W artykule opisano przeprowadzone symulacje zmieniających się temperatur w poszczególnych strefach przykładowego budynku oraz jego zapotrzebowania na energię na potrzeby wentylacji, ogrzewania i klimatyzacji związanych z prognozowanymi zmianami temperatur zewnętrznych. Uzyskane wyniki pokazują zmniejszające się zapotrzebowanie energii na ogrzewanie oraz jej rosnące zapotrzebowanie na chłodzenie. Jest to szczególnie istotne dla projektantów zarówno architektów i konstruktorów jak i instalatorów, którzy będą musieli zmierzyć w swoich projektach ze zmieniającymi się warunkami klimatycznymi.

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6

Gryn'ova, Ganna, and Michelle L. Coote. "Directionality and the Role of Polarization in Electric Field Effects on Radical Stability." Australian Journal of Chemistry 70, no. 4 (2017): 367. http://dx.doi.org/10.1071/ch16579.

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Accurate quantum-chemical calculations are used to analyze the effects of charges on the kinetics and thermodynamics of radical reactions, with specific attention given to the origin and directionality of the effects. Conventionally, large effects of the charges are expected to occur in systems with pronounced charge-separated resonance contributors. The nature (stabilization or destabilization) and magnitude of these effects thus depend on the orientation of the interacting multipoles. However, we show that a significant component of the stabilizing effects of the external electric field is largely independent of the orientation of external electric field (e.g. a charged functional group, a point charge, or an electrode) and occurs even in the absence of any pre-existing charge separation. This effect arises from polarization of the electron density of the molecule induced by the electric field. This polarization effect is greater for highly delocalized species such as resonance-stabilized radicals and transition states of radical reactions. We show that this effect on the stability of such species is preserved in chemical reaction energies, leading to lower bond-dissociation energies and barrier heights. Finally, our simplified modelling of the diol dehydratase-catalyzed 1,2-hydroxyl shift indicates that such stabilizing polarization is likely to contribute to the catalytic activity of enzymes.

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7

McKenzie, M. L., and R. E. Olson. "Ionization and charge exchange in multiply-charged-ion–helium collisions at intermediate energies." Physical Review A 35, no. 7 (April 1, 1987): 2863–68. http://dx.doi.org/10.1103/physreva.35.2863.

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8

Jabbar, Rashid Hashim. "Enhancement of the Concept of Charge-Energy." International Journal of Psychosocial Rehabilitation 24, no. 5 (April 20, 2020): 3971–75. http://dx.doi.org/10.37200/ijpr/v24i5/pr2020107.

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9

Rubehn, Th, R. Bassini, M. Begemann-Blaich, Th Blaich, A. Ferrero, C. Gro\S, G. Immé, et al. "Charge pickup ofU238at relativistic energies." Physical Review C 53, no. 2 (February 1, 1996): 993–96. http://dx.doi.org/10.1103/physrevc.53.993.

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10

Huang, Qian-Rui, Jennifer R. Kingham, and Nikolas Kaltsoyannis. "The strength of actinide–element bonds from the quantum theory of atoms-in-molecules." Dalton Transactions 44, no. 6 (2015): 2554–66. http://dx.doi.org/10.1039/c4dt02323d.

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Excellent correlation is found between standard QTAIM metrics and An–N bond lengths, and with N–N bond lengths and vibrational frequencies, but much poorer correlations exist with An–N and An–O interaction energies. Superior correlations are found between interaction energies and the change in the QTAIM charge on compound formation.

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11

Tawfik, Abdel Nasser, L. I. Abou-Salem, Asmaa G. Shalaby, and M. Hanafy. "On Dynamical Net-Charge Fluctuations within a Hadron Resonance Gas Approach." Advances in High Energy Physics 2016 (2016): 1–7. http://dx.doi.org/10.1155/2016/2475916.

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The dynamical net-charge fluctuations (νdyn) in different particle ratiosK/π,K/p, andp/πare calculated from the hadron resonance gas (HRG) model and compared with STAR central Au+Au collisions atsNN=7.7–200 GeV and NA49 central Pb+Pb collisions atsNN=6.3–17.3 GeV. The three charged particle ratios (K/π,K/p, andp/π) are determined as total and average of opposite and average of the same charges. We find an excellent agreement between the HRG calculations and the experimental measurements, especially from STAR beam energy scan (BES) program, while the strange particles in the NA49 experiment at lower Super Proton Synchrotron (SPS) energies are not reproduced by the HRG approach. We conclude that the utilized HRG version seems to take into consideration various types of correlations including strong interactions through the heavy resonances and their decays especially at BES energies.

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12

Sercel, Peter C., Andrew Shabaev, and Alexander L. Efros. "Symmetry Breaking Induced Activation of Nanocrystal Optical Transitions." MRS Advances 3, no. 14 (2018): 711–16. http://dx.doi.org/10.1557/adv.2018.19.

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ABSTRACTWe have analysed the effect of symmetry breaking on the optical properties of semiconductor nanocrystals due to doping by charged impurities. Using doped CdSe nanocrystals as an example, we show the effects of a Coulomb center on the exciton fine-structure and optical selection rules using symmetry theory and then quantify the effect of symmetry breaking on the exciton fine structure, modelling the charged center using a multipole expansion. The model shows that the presence of a Coulomb center breaks the nanocrystal symmetry and affects its optical properties through mixing and shifting of the hole spin and parity sublevels. This symmetry breaking, particularly for positively charged centers, shortens the radiative lifetime of CdSe nanocrystals even at room temperature, in qualitative agreement with the increase in PL efficiency observed in CdSe nanocrystals doped with positive Ag charge centers [A. Sahu et.al., Nano Lett. 12, 2587, (2012)]. The effect of the charged center on the photoluminescence and the absorption spectra is shown, with and without the presence of compensating charges on the nanocrystal surface. While spectra of individual nanocrystals are expected to shift and broaden with the introduction of a charged center, configuration averaging and inhomogeneous broadening are shown to wash out these effects. The presence of compensating charges at the NC surface also serves to stabilize the band edge transition energies relative to NCs with no charge centers.

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13

Arneth, Borros. "Pythagorean numbers and the calculation of the masses of the elementary particles." Physics Essays 34, no. 3 (September 16, 2021): 322–30. http://dx.doi.org/10.4006/0836-1398-34.3.322.

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We attempt here to calculate the particle masses for all known elementary particles starting from the Rydberg equation and from the Sommerfeld fine structure constant. Remarkably, this is possible. Next, we try to explain why this is possible and what the meaning of the approach seems to be. Thereby, we find some interesting connections. In addition, we realize that there are two different kinds of mass-charge binding energies in an elementary particle: The internal mass-charge binding energy and the external mass-charge binding energy. These two kinds of mass-charge binding energies can explain the higher masses of the highly charged brother particles in some of the heavier particle triplets (such as the charmed sigma particles).

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14

Lutostansky, Yu S. "Charge-exchange isobaric resonances." EPJ Web of Conferences 194 (2018): 02009. http://dx.doi.org/10.1051/epjconf/201819402009.

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Three types of the charge-exchange isobaric resonances - giant Gamow-Teller (GTR), the analog (AR) and pygmy (PR) ones are investigated using the microscopic theory of finite Fermi systems and its approximated version. The calculated energies of GTR, AR and three PR’s are in good agreement with the experimental data. Calculated differences ΔEG-A=EGTR-EAR go to zero in heavier nuclei indicating the restoration of Wigner SU(4)-symmetry. The average deviation for ΔEG-A is 0.30 MeV for the 33 considered nuclei where experimental data are available. The comparison of calculations with experimental data on the energies of charge-exchange pygmy resonances gives the standard deviation δE<0:40 MeV. Strength functions for the 118Sn, 71Ga, 98Mo and 127I isotopes are calculated and the calculated resonance energies and amplitudes of the resonance peaks are close to the experimental values. Strong influence of the charge-exchange resonances on neutrino capturing cross sections is demonstrated.

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15

Bojarowski, Sławomir A., Prashant Kumar, Claudia M. Wandtke, Birger Dittrich, and Paulina M. Dominiak. "Universal Method for Electrostatic Interaction Energies Estimation with Charge Penetration and Easily Attainable Point Charges." Journal of Chemical Theory and Computation 14, no. 12 (October 25, 2018): 6336–45. http://dx.doi.org/10.1021/acs.jctc.8b00781.

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16

Herman, Zdenek. "Dynamics of charge transfer and chemical reactions of doubly-charged ions at low collision energies." International Reviews in Physical Chemistry 15, no. 1 (March 1996): 299–324. http://dx.doi.org/10.1080/01442359609353186.

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17

Harris, F. M. "Double-charge-transfer spectrometry and the measurement of electronic-state energies of doubly charged ions." International Journal of Mass Spectrometry and Ion Processes 120, no. 1-2 (October 1992): 1–43. http://dx.doi.org/10.1016/0168-1176(92)80050-b.

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18

Khan, Md Abdul. "Application of hyperspherical harmonics expansion method to the low-lying bound S-states of exotic two-muon three-body systems." International Journal of Modern Physics E 23, no. 10 (October 2014): 1450055. http://dx.doi.org/10.1142/s0218301314500554.

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In this paper, energies of the low-lying bound S-states (L = 0) of exotic three-body systems, consisting a nuclear core of charge +Ze (Z being atomic number of the core) and two negatively charged valence muons, have been calculated by hyperspherical harmonics expansion method (HHEM). The three-body Schrödinger equation is solved assuming purely Coulomb interaction among the binary pairs of the three-body systems X Z+μ-μ- for Z = 1 to 54. Convergence pattern of the energies have been checked with respect to the increasing number of partial waves Λmax. For available computer facilities, calculations are feasible up to Λmax = 28 partial waves, however, calculation for still higher partial waves have been achieved through an appropriate extrapolation scheme. The dependence of bound state energies has been checked against increasing nuclear charge Z and finally, the calculated energies have been compared with the ones of the literature.

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19

KLEIHAUS, B., J. KUNZ, and D. H. TCHRAKIAN. "INTERACTION ENERGY OF 't HOOFT–POLYAKOV MONOPOLES." Modern Physics Letters A 13, no. 31 (October 10, 1998): 2523–29. http://dx.doi.org/10.1142/s0217732398002680.

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The dependence of the energies of axially symmetric monopoles of magnetic charges 2 and 3, on the Higgs self-interaction coupling constant, is studied numerically. Comparing the energy per unit topological charge of the charge-2 monopole with the energy of the spherically symmetric charge-1 monopole, we confirm that there is only one repulsive phase in the interaction energy between like monopoles.

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20

Schwartz, Michael. "Organisationsentwicklung: Wie man Change-Energie erzeugen kann." Sozialwirtschaft 27, no. 6 (2017): 32–33. http://dx.doi.org/10.5771/1613-0707-2017-6-32.

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21

Onoda, Shinobu, Naoya Iwamoto, Makoto Murakami, Takeshi Ohshima, Toshio Hirao, Kazu Kojima, K. Kawano, and I. Nakano. "Charge Collection Properties of 6H-SiC Diodes by Wide Variety of Charged Particles up to Several Hundreds MeV." Materials Science Forum 615-617 (March 2009): 861–64. http://dx.doi.org/10.4028/www.scientific.net/msf.615-617.861.

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We investigated the energy spectra in p+n 6H-SiC diodes by a wide variety of charged particles with energies up to several hundred MeV. Though Pulse Height Defect (PHD) was detected when the samples were irradiated with high energy heavy ions (322MeV-Kr and 454MeV-Xe), linearity between pulse height (peak channel) and ion energy up to 150MeV was observed.

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22

He, Jun, Mike W. Finnis, Elizabeth C. Dickey, and Susan B. Sinnott. "Charged Defect Formation Energies in TiO₂ Using the Supercell Approximation." Advances in Science and Technology 45 (October 2006): 1–8. http://dx.doi.org/10.4028/www.scientific.net/ast.45.1.

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TiO2 has been intensively studied as a wide band-gap transition metal oxide partially due to the multi-valence nature of its cation. Here, density-functional theory calculations within the supercell approximation are carried out to determine the preferred charge state of point defects in rutile TiO2. The first component of this work is to investigate the dependence of the defect formation energies on supercell size and the electrostatic Makov-Payne correction. The results show that the Makov-Payne correction improves the convergence of defect formation energies as a function of supercell size for positively charged titanium interstitials and negatively charged titanium vacancies. However, in the case of positively charged oxygen vacancies, applying the Makov-Payne correction gives the wrong sign for the defect formation energy correction. This is attributed to the shallow nature of the transition levels for this defect in TiO2. Finally, we combine the calculated defect formation energies with thermodynamic data to evaluate the influence of temperature on the relative stabilities of point defects. The results indicate that when the Makov- Payne correction is applied, a stable charge transition occurs for titanium interstitials. In addition, as the temperature increases, the dominant point defect in TiO2 changes from oxygen vacancies to titanium interstitials.

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23

Irom, F., H. W. Baer, J. D. Bowman, M. D. Cooper, E. Piasetzky, U. Sennhauser, H. J. Ziock, et al. "Pion single charge exchange onLi7at low energies." Physical Review C 31, no. 4 (April 1, 1985): 1464–67. http://dx.doi.org/10.1103/physrevc.31.1464.

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24

Haussler, Stephane, Mohamed Abdel-Aziz, and Marcus Bleicher. "Forward-Backward Charge Fluctuations at RHIC Energies." Nuclear Physics A 785, no. 1-2 (March 2007): 253–56. http://dx.doi.org/10.1016/j.nuclphysa.2006.11.146.

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25

Reed, James L. "Electronegativity: Atomic Charge and Core Ionization Energies." Journal of Physical Chemistry A 106, no. 13 (April 2002): 3148–52. http://dx.doi.org/10.1021/jp012886e.

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26

Faucett, J. A., M. W. Rawool, K. S. Dhuga, J. D. Zumbro, R. Gilman, H. T. Fortune, C. L. Morris, and M. A. Plum. "Pion double charge exchange onC12at low energies." Physical Review C 35, no. 4 (April 1, 1987): 1570–73. http://dx.doi.org/10.1103/physrevc.35.1570.

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27

Love, W. G., Amir Klein, M. A. Franey, and K. Nakayama. "Nucleon charge-exchange reactions at intermediate energies." Canadian Journal of Physics 65, no. 6 (June 1, 1987): 536–48. http://dx.doi.org/10.1139/p87-077.

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The nucleon charge–exchange reaction is investigated as a probe of isovector modes of nuclear excitation at both small and large momentum transfer. The calculated and extracted properties of the isovector nucleon–nucleon interaction are discussed and illustrated with an emphasis on incident energies in excess of 100 MeV. Particular emphasis is placed on spin observables and the roles played by different parts of the nucleon–nucleon coupling in their determination. Recent measurements of transverse polarization transfer at 0° in the charge-exchange continuum are compared with distorted wave impulse approximation calculations using random–phase approximation transition densities.

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28

Belkić, Dževad. "Double charge exchange at high impact energies." Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms 86, no. 1-2 (March 1994): 62–81. http://dx.doi.org/10.1016/0168-583x(94)96153-0.

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29

Loos, Pierre-François, Massimiliano Comin, Xavier Blase, and Denis Jacquemin. "Reference Energies for Intramolecular Charge-Transfer Excitations." Journal of Chemical Theory and Computation 17, no. 6 (May 6, 2021): 3666–86. http://dx.doi.org/10.1021/acs.jctc.1c00226.

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30

Peluso, Andrea, and Sándor Fliszár. "Charge distributions and chemical effects. XLV. Graphite." Canadian Journal of Chemistry 66, no. 10 (October 1, 1988): 2631–33. http://dx.doi.org/10.1139/v88-412.

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The zero point energy of graphite, [Formula: see text], is deduced from Debye's theory by separating the lattice vibrations into two approximately independent parts, with Debye temperatures [Formula: see text] (in plane) and [Formula: see text] (perpendicular). A balanced evaluation gives [Formula: see text]. The bond energies of graphite in its potential minimum are derived from those of polynuclear benzenoїd hydrocarbons using a formula describing bond energies in terms of the charges at the bond-forming atoms. These energies plus a consideration of (i) van der Waals interactions between layers (~1.2 kcal mol−1), (ii) ZPE = 3.68, and (iii) the experimental heat content. HT − H0 = 0.25 kcal mol−1, lead to a theoretical enthalpy of atomization, ΔHa(298.15) = 174.6, which is ~2% larger than its experimental counterpart, 170.9 kcal mol−1. Exploiting the fact that the carbon atoms are electroneutral in graphite and not so in benzenoїd hydrocarbons, the results obtained for graphite support the approximate validity of bond energies deduced for polynuclear benzenoїd hydrocarbons and of the net charge, 14.8 × 10−3 e, deduced for the carbon atom of benzene.

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31

Eilmes, Andrzej. "Calculations of the polarization energies for single charges and charge-transfer states in fullerene C60 microcrystals." Synthetic Metals 109, no. 1-3 (March 2000): 129–32. http://dx.doi.org/10.1016/s0379-6779(99)00212-x.

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32

Pickersgill, Richard W. "A rapid method of calculating charge–charge interaction energies in proteins." "Protein Engineering, Design and Selection" 2, no. 3 (1988): 247–48. http://dx.doi.org/10.1093/protein/2.3.247.

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33

Saethre, Leif J., Michele R. F. Siggel, and T. Darrah Thomas. "Molecular charge distribution, core-ionization energies, and the point-charge approximation." Journal of the American Chemical Society 113, no. 14 (July 1991): 5224–30. http://dx.doi.org/10.1021/ja00014a014.

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34

Navarro-Lérida, Francisco, and D. H. Tchrakian. "Electrically charged finite energy solutions of an SO(5) and an SU(3) Higgs–Chern–Simons-Yang–Mills–Higgs system in 3+1 dimensions." International Journal of Modern Physics A 30, no. 15 (May 26, 2015): 1550079. http://dx.doi.org/10.1142/s0217751x15500797.

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We study spherically symmetric finite energy solutions of two Higgs–Chern–Simons-Yang–Mills–Higgs (HCS-YMH) models in 3+1 dimensions, one with gauge group SO(5) and the other with SU(3). The Chern–Simons (CS) densities are defined in terms of both the Yang–Mills (YM) and Higgs fields and the choice of the two gauge groups is made so that they do not vanish. The solutions of the SO(5) model carry only electric charge and zero magnetic charge, while the solutions of the SU(3) model are dyons carrying both electric and magnetic charges like the Julia–Zee (JZ) dyon. Unlike the latter, however, the electric charge in both models receives an important contribution from the CS dynamics. We pay special attention to the relation between the energies and charges of these solutions. In contrast with the electrically charged JZ dyon of the Yang–Mills–Higgs (YMH) system, whose mass is larger than that of the electrically neutral (magnetic monopole) solutions, the masses of the electrically charged solutions of our HCS-YMH models can be smaller than their electrically neutral counterparts in some parts of the parameter space. To establish this is the main task of this work, which is performed by constructing the HCS-YMH solutions numerically. In the case of the SU(3) HCS-YMH, we have considered the question of angular momentum and it turns out that it vanishes.

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35

Kumar, Prashant, Malgorzata Katarzyna Cabaj, Aleksandra Pazio, and Paulina Maria Dominiak. "Protonated nucleobases are not fully ionized in their chloride salt crystals and form metastable base pairs further stabilized by the surrounding anions." IUCrJ 5, no. 4 (June 8, 2018): 449–69. http://dx.doi.org/10.1107/s2052252518006346.

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This paper presents experimental charge-density studies of cytosinium chloride, adeninium chloride hemihydrate and guaninium dichloride crystals based on ultra-high-resolution X-ray diffraction data and extensive theoretical calculations. The results confirm that the cohesive energies of the studied systems are dominated by contributions from intermolecular electrostatic interactions, as expected for ionic crystals. Electrostatic interaction energies (E es) usually constitute 95% of the total interaction energy. The E es energies in this study were several times larger in absolute value when compared, for example, with dimers of neutral nucleobases. However, they were not as large as some theoretical calculations have predicted. This was because the molecules appeared not to be fully ionized in the studied crystals. Apart from charge transfer from chlorine to the protonated nucleobases, small but visible charge redistribution within the nucleobase cations was observed. Some dimers of singly protonated bases in the studied crystals, namely a cytosinium–cytosinium trans sugar/sugar edge pair and an adeninium–adeninium trans Hoogsteen/Hoogsteen edge pair, exhibited attractive interactions (negative values of E es) or unusually low repulsion despite identical molecular charges. The pairs are metastable as a result of strong hydrogen bonding between bases which overcompensates the overall cation–cation repulsion, the latter being weakened due to charge transfer and molecular charge-density polarization.

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36

Fujita, Tetsuo, Masashi Nakahira, Fidefumi Ogura, Hiroki Iwanade, Tomomi Koshiishi, and Hitoshi Hayashiya. "1E24 Charge Evaluation of Nickel Metal Hybrid Battery for Energy Storage System(Environment and Energy)." Proceedings of International Symposium on Seed-up and Service Technology for Railway and Maglev Systems : STECH 2015 (2015): _1E24–1_—_1E24–6_. http://dx.doi.org/10.1299/jsmestech.2015._1e24-1_.

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37

Surendran, Sujith P., and Dr Tabrez Ahmad. "The Required Policy Change in Energy Sector for India’s Energy Security." International Journal of Trend in Scientific Research and Development Volume-1, Issue-6 (October 31, 2017): 1020–26. http://dx.doi.org/10.31142/ijtsrd5752.

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38

Habera, Łukasz, and Kamil Hebda. "Testing the effectiveness of multi-layer target penetration by linear shaped charges." Nafta-Gaz 76, no. 12 (December 2020): 919–28. http://dx.doi.org/10.18668/ng.2020.12.05.

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Choć zjawisko kumulacji detonacyjnej jest dobrze znane i wykorzystywane w technice strzelniczej na całym świecie, to branża naftowa wciąż poszukuje jak najefektywniejszego sposobu perforacji odwiertów naftowych i gazowych. Wykorzystanie materiałów wybuchowych w ładunkach kumulacyjnych przeznaczonych do prac perforacyjnych zapewnia skuteczne połączenie hydrauliczne odwiertu ze złożem, ale wciąż pozostają lokalne negatywne skutki detonacji w postaci stref zmiażdżonych i zniszczonych wokół kanałów perforacyjnych. W niniejszym referacie zaproponowano nowe spojrzenie na sposób perforacji odwiertów. Pozostając w domenie materiałów wybuchowych, przedstawiono metodę perforacji opartej na wykorzystaniu liniowych ładunków kumulacyjnych, których działanie potęguje energia spalania propelantów. W referacie przedstawiono przebieg i rezultaty czterech testów strzałowych koncepcyjnego urządzenia perforująco-szczelinującego o roboczej nazwie Szczelinogenerator, którego głównym zadaniem jest przebicie wielowarstwowego zróżnicowanego materiałowo celu, jakim jest wgłębna konstrukcja odwiertu. Przedstawione badania poświęcone są skuteczności perforowania układu stal–woda–beton. W ich toku rozwiano obawy dotyczące braku jednoczesności zainicjowania wszystkich uzbrojonych ładunków i wystąpienia działań niszczących urządzenie jeszcze przed jego pełnym zadziałaniem. Potwierdziła się jednak hipoteza o konieczności gruntownej modernizacji ładunków liniowych, które w obecnej formie uwalniają zbyt dużą ilość energii poza oś działania strumienia kumulacyjnego. Przedmiotowe straty energii, po pierwsze, osłabiają działanie ładunku, po drugie, powodują zniszczenia rury korpusowej jako urządzenia nośnego poprzez wydatne rozdęcie i rozerwanie. Analiza przekrojów powstałych szczelin kumulacyjnych pozwala stwierdzić, że są one jednorodne i nie obserwuje się w nich znaczących zmian szerokości. Głębokości czy zasięgu szczelin na tym etapie pracy nie określono z powodu zniszczenia części betonowej modeli imitujących odcinki otworu wiertniczego. Przeprowadzone badania, zrealizowane w postaci czterech testów strzałowych, potwierdzają zdolność ładunków kumulacyjnych liniowych do skutecznego penetrowania celów o budowie wielowarstwowej.

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39

Toh, Pek Lan, Montha Meepripruk, and Rosfayanti Rasmidi. "A Computational Study on Structural and Electronic Properties of 1-(4-Chlorophenyl)-2-{[5-(4-Chlorophenyl)-1,2,3-Oxadiazol-2-Yl]Sulfanyl}Ethanone." Applied Mechanics and Materials 892 (June 2019): 1–7. http://dx.doi.org/10.4028/www.scientific.net/amm.892.1.

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In this paper, a first principle Density Functional Theory (DFT) method was conducted to study the geometric and electronic structures of 1-(4-chlorophenyl)-2-{[5-(4-chlorophenyl) -1,3,4-oxadiazol-2-yl] sulfanyl} ethanone, C16H10Cl2N2O2S. Using B3LYP level of theory with four basis sets of 6-31G**, 6-31++G**, 6-311G**, and 6-311++G**, the equilibrium structure of the title molecule was used to determine the total energies, Frontier molecular orbital’s energies, Mulliken atomic charges, and others. The computed findings present that four total energies obtained are close to each other, with the corresponding values of-59716.06 eV, -59709.42 eV, -59708.56 eV, and-59716.51 eV, respectively for B3LYP/6-31G**, B3LYP/6-31++G**, B3LYP/6-311G**, and B3LYP/6-311++G** methods. The calculated HOMO-LUMO energy gaps were predicted in the range of 4.001 eV - 4.089 eV. In this study, the atomic charge values of molecular system were also determined using Mulliken Population Analysis (MPA) approach. For DFT/B3LYP/6-311G** level of calculation, the computed results show that the atom of C8 accommodates the highest negative charge in the title molecular system. All the oxygen, nitrogen, and chloride atoms are having negative charges, whereas all the hydrogen atoms are having positive charges. In addition, the dipole moment value was also determined to be 1.4758 Debye by employing DFT/B3LYP/6-311G** level of theory.

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40

VENKATARAMANAN, NATARAJAN SATHIYAMOORTHY, HIROSHI MIZUSEKI, and YOSHIYUKI KAWAZOE. "HYDROGEN STORAGE ON NANOFULLERENE CAGES." Nano 04, no. 05 (October 2009): 253–63. http://dx.doi.org/10.1142/s1793292009001733.

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In this paper, we discuss and compare various nanocage materials proposed theoretically as storage medium for hydrogen. Doping of transition elements leads to clustering which reduces the gravimetric density of hydrogen, while doping of alkali and alkali-earth metals on the nanocage materials, such as carborides, boronitride, and boron cages, were stabilized by the charger transfer from the dopant to the nanocage. Further, the alkali or alkali-earth elements exist with a charge, which are found to be responsible for the higher uptake of hydrogen, through a dipole–dipole and change-induced dipole interaction. The binding energies of hydrogen on these systems were found to be in the range of 0.1 eV to 0.2 eV, which are ideal for the practical applications in a reversible system.

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Orsky, A. R., and M. A. Whitehead. "Electronegativity in density functional theory: diatomic bond energies and hardness parameters." Canadian Journal of Chemistry 65, no. 8 (August 1, 1987): 1970–79. http://dx.doi.org/10.1139/v87-327.

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New definitions of the rate of change of electronegativity with charge, the hardness η, of an atom, are developed for acids A and bases B, where [Formula: see text] and [Formula: see text]. These definitions reproduce the experimental ordering of hard and soft acids and bases, and produce good trends in diatomic bond energies.

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42

Mulroue, J., and D. M. Duffy. "An ab initio study of the effect of charge localization on oxygen defect formation and migration energies in magnesium oxide." Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences 467, no. 2131 (March 16, 2011): 2054–65. http://dx.doi.org/10.1098/rspa.2010.0517.

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Plane-wave density functional theory was used to study the properties of oxygen vacancies and interstitials, with different charge states, in MgO. The calculated properties were the relaxed configurations, the Frenkel defect formation energies and the energies of the migration barriers, and all properties were found to be strongly dependent on the defect charge state. The lowest energy configuration of the O 2− interstitial was found to be the cube centre; however, the O − and O 0 interstitials formed dumb-bell configurations. The Frenkel defect energies were also strongly dependent on the defect charge, with the neutral pair energy calculated to be 3 eV lower than the doubly charged Frenkel pair defect energy. The migration barriers of the oxygen vacancies were found to increase as the net charge of the oxygen vacancies decreased, which suggests that vacancies with trapped electrons are much less mobile than the F 2+ vacancies modelled by classical potentials. The migration of the oxygen interstitials showed particularly interesting behaviour. The O 0 interstitial was found to have a higher migration barrier than the O 2− interstitial but a very low barrier (0.06 eV) was found for the O − interstitial. The results have significant implications for the reliability of classical radiation damage simulations.

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43

Kraft-Bermuth, Saskia, Daniel Hengstler, Peter Egelhof, Christian Enss, Andreas Fleischmann, Michael Keller, and Thomas Stöhlker. "Microcalorimeters for X-Ray Spectroscopy of Highly Charged Ions at Storage Rings." Atoms 6, no. 4 (November 2, 2018): 59. http://dx.doi.org/10.3390/atoms6040059.

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X-ray spectroscopy of highly charged heavy ions is an important tool for the investigation of many topics in atomic physics. Such highly charged ions, in particular hydrogen-like uranium, are investigated at heavy ion storage rings, where high charge states can be produced in large quantities, stored for long times and cooled to low momentum spread of the ion beam. One prominent example is the determination of the 1s Lamb Shift in hydrogen-like heavy ions, which has been investigated at the Experimental Storage Ring (ESR) at the GSI Helmholtz Centre for Heavy Ion Research. Due to the large electron binding energies, the energies of the corresponding photon transitions are located in the X-ray regime. To determine the transition energies with high accuracy, highly resolving X-ray spectrometers are needed. One concept of such spectrometers is the concept of microcalorimeters, which, in contrast to semiconductor detectors, uses the detection of heat rather than charge to detect energy. Such detectors have been developed and successfully applied in experiments at the ESR. For experiments at the Facility for Antiproton and Ion Research (FAIR), the Stored Particles and Atoms Collaboration (SPARC) pursues the development of new microcalorimeter concepts and larger detector arrays. Next to fundamental investigations on quantum electrodynamics such as the 1s Lamb Shift or electron–electron interactions in two- and three-electron systems, X-ray spectroscopy may be extended towards nuclear physics investigations like the determination of nuclear charge radii.

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44

Nicolaysen, S., Mariya G. Ganchenkova, and Risto M. Nieminen. "Formation of Vacancies and Divacancies in Plane-Stressed Silicon." Solid State Phenomena 108-109 (December 2005): 433–38. http://dx.doi.org/10.4028/www.scientific.net/ssp.108-109.433.

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The effect of compressive and tensile plane-stress loading on formation energies and electronic properties of vacancies and divacancies in silicon are studied by first-principles approach for in-plane strains up to 0.7%. It is demonstrated that contributions to defect formation energies from the elastic lattice relaxation and from the band structure modification respond to stress in a different manner, leading to noticeable different behaviour of formation energies for different charges states. The most stable vacancy charge states at different Fermi level are shown to be sensitive to strain magnitude and sign. This results in the strain-induced shifts and even disappearance of some of thermal ionization levels of vacancies and divacancies in the band gap.

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45

Goldman, Michael, Matteo Novaga, and Matthias Röger. "Quantitative estimates for bending energies and applications to non-local variational problems." Proceedings of the Royal Society of Edinburgh: Section A Mathematics 150, no. 1 (January 23, 2019): 131–69. http://dx.doi.org/10.1017/prm.2018.149.

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AbstractWe discuss a variational model, given by a weighted sum of perimeter, bending and Riesz interaction energies, that could be considered as a toy model for charged elastic drops. The different contributions have competing preferences for strongly localized and maximally dispersed structures. We investigate the energy landscape in dependence of the size of the ‘charge’, that is, the weight of the Riesz interaction energy.In the two-dimensional case, we first prove that for simply connected sets of small elastica energy, the elastica deficit controls the isoperimetric deficit. Building on this result, we show that for small charge the only minimizers of the full variational model are either balls or centred annuli. We complement these statements by a non-existence result for large charge. In three dimensions, we prove area and diameter bounds for configurations with small Willmore energy and show that balls are the unique minimizers of our variational model for sufficiently small charge.

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46

Cioslowski, Jerzy, and Joanna Albin. "A charge granularity correction to electrostatic self-energies of planar charge distributions." Molecular Physics 114, no. 7-8 (December 10, 2015): 921–27. http://dx.doi.org/10.1080/00268976.2015.1114161.

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47

Friedsam, C., H. E. Gaub, and R. R. Netz. "Adsorption energies of single charged polymers." Europhysics Letters (EPL) 72, no. 5 (December 2005): 844–50. http://dx.doi.org/10.1209/epl/i2005-10316-7.

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48

Kumar, Prashant, Małgorzata Katarzyna Cabaj, and Paulina Maria Dominiak. "Intermolecular Interactions in Ionic Crystals of Nucleobase Chlorides—Combining Topological Analysis of Electron Densities with Energies of Electrostatic Interactions." Crystals 9, no. 12 (December 11, 2019): 668. http://dx.doi.org/10.3390/cryst9120668.

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Understanding intermolecular interactions in crystals of molecular ions continues to be difficult. On the one hand, the analysis of interactions from the point of view of formal charges of molecules, similarly as it is commonly done for inorganic ionic crystals, should be performed. On the other hand, when various functional groups are present in the crystal, it becomes natural to look at the interactions from the point of view of hydrogen bonding, π…π stacking and many other kinds of non-covalent atom–atom bonding. Often, these two approaches seem to lead to conflicting conclusions. On the basis of experimental charge densities of cytosinium chloride, adeninium chloride hemihydrate, and guanine dichloride crystals, with the help of theoretical simulations, we have deeply analysed intermolecular interactions among protonated nucleobases, chloride anions and water molecules. Here, in the second paper of the series of the two (Kumar et al., 2018, IUCrJ 5, 449–469), we focus on applying the above two approaches to the large set of dimers identified in analysed crystals. To understand electrostatic interactions, we analysed electrostatic interaction energies (Ees) computed directly from molecular charge densities and contrasted them with energies computed only from net molecular charges, or from a sum of electric multipolar moments, to find the charge penetration contribution to Ees. To characterize non-covalent interactions we performed topological analyses of crystal electron densities and estimated their interaction energies (EEML) from properties of intermolecular bond critical points. We show that the overall crystal architecture of the studied compounds is governed by the tight packing principle and strong electrostatic attractions and repulsions between ions. Many ions are oriented to each other in a way to strengthen attractive electrostatic interactions or weaken strong repulsion, but not all of them. Numerous bond critical points and bond paths were found between ions, including nucleobase cations despite their overall repulsive interactions. It is clear there is no correlation between EEML and Ees. However, strong relation between EEML and the charge penetration component of Ees is observed. The relation holds regardless of interaction types or whether or not interacting molecules bear the same or opposite charges. Thus, a charge density-based approach for computing intermolecular interaction energies and the atom–atom approach to analyse non-covalent interactions do complement each other, even in ionic systems.

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Gabadadze, Gregory, and Rachel A. Rosen. "Charge Screening in a Charged Condensate." Nuclear Physics B - Proceedings Supplements 192-193 (July 2009): 172–73. http://dx.doi.org/10.1016/j.nuclphysbps.2009.07.070.

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Lee, Dae-Hyun, and Do-Young Yoon. "Computational Modeling of Charge-Discharge Characteristics of Lithium-Ion Batteries." Journal of Energy Engineering 20, no. 4 (December 31, 2011): 278–85. http://dx.doi.org/10.5855/energy.2011.20.4.278.

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