The stabilities, electronic structures and elastic properties of Rb—As systems
International Nuclear Information System (INIS)
Ozisik Havva Bogaz; Colakoglu Kemal; Deligoz Engin; Ozisik Haci
2012-01-01
The structural, electronic and elastic properties of Rb—As systems (RbAs in NaP, LiAs and AuCu structures, RbAs 2 in the MgCu 2 structure, Rb 3 As in Na 3 As, Cu 3 P and Li 3 Bi structures, and Rb 5 As 4 in the A 5 B 4 structure) are investigated with the generalized gradient approximation in the frame of density functional theory. The lattice parameters, cohesive energies, formation energies, bulk moduli and the first derivatives of the bulk moduli (to fit Murnaghan's equation of state) of the considered structures are calculated and reasonable agreement is obtained. In addition, the phase transition pressures are also predicted. The electronic band structures, the partial densities of states corresponding to the band structures and the charge density distributions are presented and analysed. The second-order elastic constants based on the stress-strain method and other related quantities such as Young's modulus, the shear modulus, Poisson's ratio, sound velocities, the Debye temperature and shear anisotropy factors are also estimated. (condensed matter: electronic structure, electrical, magnetic, and optical properties)
Energy Technology Data Exchange (ETDEWEB)
Rached, H.; Rached, D.; Benalia, S. [Laboratoire des Matériaux Magnétiques, Faculté des Sciences, Université Djillali Liabès de Sidi Bel-Abbès, Sidi Bel-Abbès 22000 (Algeria); Reshak, A.H., E-mail: maalidph@yahoo.co.uk [Institute of Complex Systems, FFPW, CENAKVA, University of South Bohemia in CB, Nove Hrady 37333 (Czech Republic); Center of Excellence Geopolymer and Green Technology, School of Material Engineering, University Malaysia Perlis, 01007 Kangar, Perlis (Malaysia); Rabah, M. [Laboratoire des Matériaux Magnétiques, Faculté des Sciences, Université Djillali Liabès de Sidi Bel-Abbès, Sidi Bel-Abbès 22000 (Algeria); Khenata, R. [Laboratoire de Physique Quantique et de Modélisation Mathématique de la Matière (LPQ3M), université de Mascara, Mascara 29000 (Algeria); Bin Omran, S. [Department of Physics and Astronomy, Faculty of Science, King Saud University, Riyadh 11451 (Saudi Arabia)
2013-12-16
The structural stabilities, elastic and electronic properties of 5d transition metal mononitrides (TMNs) XN with (X = Ir, Os, Re, W and Ta) and 5d transition metal monocarbides (TMCs) XC with (X = Ir, Os, Re and Ta) were investigated using the full-potential linear muffin-tin orbital (FP-LMTO) method, in the framework of the density functional theory (DFT) within the local density approximation (LDA) for the exchange correlation functional. The ground state quantities such as the lattice parameter, bulks modulus and its pressure derivatives for the six considered crystal structures, Rock-salt (B1), CsCl (B2), zinc-blend (B3), Wurtzite (B4), NiAs (B8{sub 1}) and the tungsten carbides (B{sub h}) are calculated. The elastic constants of TMNs and TMCs compounds in its different stable phases are determined by using the total energy variation with strain technique. The elastic modulus for polycrystalline materials, shear modulus (G), Young's modulus (E), and Poisson's ratio (ν) are calculated. The Debye temperature (θ{sub D}) and sound velocities (v{sub m}) were also derived from the obtained elastic modulus. The analysis of the hardness of the herein studied compounds classifies OsN – (B4 et B8{sub 1}), ReN – (B8{sub 1}), WN – (B8{sub 1}) and OsC – (B8{sub 1}) as superhard materials. Our results for the band structure and densities of states (DOS), show that TMNs and TMCs compounds in theirs energetically and mechanically stable phase has metallic characteristic with strong covalent nature Metal–Nonmetal elements. - Highlights: • Structural stabilities, elastic, electronic properties of 5d TMNs XN are investigated. • 5d TMCs XC with (X = Ir, Os, Re and Ta) were investigated. • The ground state properties for the six considered crystal structure are calculated. • The elastic constants of TMNs and TMCs in its different stable phases are determined. • The elastic modulus for polycrystalline materials, G, E, and ν are calculated.
Boulechfar, R.; Khenioui, Y.; Drablia, S.; Meradji, H.; Abu-Jafar, M.; Omran, S. Bin; Khenata, R.; Ghemid, S.
2018-05-01
Ab-initio calculations based on density functional theory have been performed to study the structural, electronic, thermodynamic and mechanical properties of intermetallic compounds Pt3Sc and Pt3Y using the full-potential linearized augmented plane wave(FP-LAPW) method. The total energy calculations performed for L12, D022 and D024 structures confirm the experimental phase stability. Using the generalized gradient approximation (GGA), the values of enthalpies formation are -1.23 eV/atom and -1.18 eV/atom for Pt3Sc and Pt3Y, respectively. The densities of states (DOS) spectra show the existence of a pseudo-gap at the Fermi level for both compounds which indicate the strong spd hybridization and directing covalent bonding. Furthermore, the density of states at the Fermi level N(EF), the electronic specific heat coefficient (γele) and the number of bonding electrons per atom are predicted in addition to the elastic constants (C11, C12 and C44). The shear modulus (GH), Young's modulus (E), Poisson's ratio (ν), anisotropy factor (A), ratio of B/GH and Cauchy pressure (C12-C44) are also estimated. These parameters show that the Pt3Sc and Pt3Y are ductile compounds. The thermodynamic properties were calculated using the quasi-harmonic Debye model to account for their lattice vibrations. In addition, the influence of the temperature and pressure was analyzed on the heat capacities (Cp and Cv), thermal expansion coefficient (α), Debye temperature (θD) and Grüneisen parameter (γ).
International Nuclear Information System (INIS)
Wang, Y.; Chen, W.; Chen, X.; Liu, H.Y.; Ding, Z.H.; Ma, Y.M.; Wang, X.D.; Cao, Q.P.; Jiang, J.Z.
2012-01-01
Highlights: ► Changes from NaCl-, WC- to anti-NiAs-type structures are for 4d and 5d metal monoborides. ► Vickers hardnesses of monoborides are relatively low. ► B-vacancies cause the difference in lattice parameters for IrB and PtB. ► Nonstoichiometric IrB and PtB phases synthesized. - Abstract: The crystal structures, stability, electronic and elastic properties of 4d and 5d transition metal monoborides have been studied by first principles calculations. It is found that NaCl-type ZrB, NbB, MoB, HfB, TaB and WB, WC-type TcB, RuB, ReB, OsB and IrB, and anti-NiAs-type RhB and PdB are thermodynamically stable at zero pressure. They all are metallic. The Vickers hardnesses of these monoborides are relatively low as compared with monocarbides and mononitrides. It is clarified that the presence of B-vacancies is the origin for the difference of lattice parameters between theoretical and experimental results for WC-type IrB and anti-NiAs-type PtB while IrB and PtB with stoichiometry from calculations are revealed to be mechanically unstable and dynamically unstable, respectively.
Energy Technology Data Exchange (ETDEWEB)
Wang, Y.; Chen, W. [International Center for New-Structured Materials (ICNSM), Zhejiang University, and Laboratory of New-Structured Materials, State Key Laboratory of Silicon Materials, Department of Materials Science and Engineering, Zhejiang University, Hangzhou 310027 (China); Chen, X.; Liu, H.Y. [State Key Laboratory of Superhard Materials, Jilin University, Changchun 130012 (China); Ding, Z.H.; Ma, Y.M. [State Key Laboratory of Inorganic Synthesis and Preparative Chemistry, Jilin University, Changchun 130012 (China); Wang, X.D.; Cao, Q.P. [International Center for New-Structured Materials (ICNSM), Zhejiang University, and Laboratory of New-Structured Materials, State Key Laboratory of Silicon Materials, Department of Materials Science and Engineering, Zhejiang University, Hangzhou 310027 (China); Jiang, J.Z., E-mail: jiangjz@zju.edu.cn [International Center for New-Structured Materials (ICNSM), Zhejiang University, and Laboratory of New-Structured Materials, State Key Laboratory of Silicon Materials, Department of Materials Science and Engineering, Zhejiang University, Hangzhou 310027 (China)
2012-10-15
Highlights: Black-Right-Pointing-Pointer Changes from NaCl-, WC- to anti-NiAs-type structures are for 4d and 5d metal monoborides. Black-Right-Pointing-Pointer Vickers hardnesses of monoborides are relatively low. Black-Right-Pointing-Pointer B-vacancies cause the difference in lattice parameters for IrB and PtB. Black-Right-Pointing-Pointer Nonstoichiometric IrB and PtB phases synthesized. - Abstract: The crystal structures, stability, electronic and elastic properties of 4d and 5d transition metal monoborides have been studied by first principles calculations. It is found that NaCl-type ZrB, NbB, MoB, HfB, TaB and WB, WC-type TcB, RuB, ReB, OsB and IrB, and anti-NiAs-type RhB and PdB are thermodynamically stable at zero pressure. They all are metallic. The Vickers hardnesses of these monoborides are relatively low as compared with monocarbides and mononitrides. It is clarified that the presence of B-vacancies is the origin for the difference of lattice parameters between theoretical and experimental results for WC-type IrB and anti-NiAs-type PtB while IrB and PtB with stoichiometry from calculations are revealed to be mechanically unstable and dynamically unstable, respectively.
Energy Technology Data Exchange (ETDEWEB)
Pagare, Gitanjali, E-mail: gita-pagare@yahoo.co.in [Department of Physics, Sarojini Naidu Government Girls P. G. Autonomous College, Bhopal-462016 (India); Jain, Ekta, E-mail: jainekta05@gmail.com [Department of Physics, Government M. L. B. Girls P. G. Autonomous College, Bhopal-462002 (India); Sanyal, S. P., E-mail: sps.physicsbu@gmail.com [Department of Physics, Barkatullah University, Bhopal-462026 (India)
2016-05-06
Structural, electronic, optical and elastic properties of PtZr have been studied using the full-potential linearized augmented plane wave (FP-LAPW) method within density functional theory (DFT). The energy against volume and enthalpy vs. pressure variation in three different structures i.e. B{sub 1}, B{sub 2} and B{sub 3} for PtZr has been presented. The equilibrium lattice parameter, bulk modulus and its pressure derivative have been obtained using optimization method for all the three phases. Furthermore, electronic structure was discussed to reveal the metallic character of the present compound. The linear optical properties are also studied under zero pressure for the first time. Results on elastic properties are obtained using generalized gradient approximation (GGA) for exchange correlation potentials. Ductile nature of PtZr compound is predicted in accordance with Pugh’s criteria.
Directory of Open Access Journals (Sweden)
H.L. Chen
2015-09-01
Full Text Available Electronic structure and elastic properties of Al2Y, Al3Y, Al2Gd and Al3Gd phases were investigated by means of first-principles calculations from CASTEP program based on density functional theory (DFT. The ground state energy and elastic constants of each phase were calculated, the formation enthalpy (ΔH, bulk modulus (B, shear modulus (G, Young's modulus (E, Poisson's ratio (ν and anisotropic coefficient (A were derived. The formation enthalpy shows that Al2RE is more stable than Al3RE, and Al-Y intermetallics have stronger phase stability than Al-Gd intermetallics. The calculated mechanical properties indicate that all these four intermetallics are strong and hard brittle phases, it may lead to the similar performance when deforming due to their similar elastic constants. The total and partial electron density of states (DOS, Mulliken population and metallicity were calculated to analyze the electron structure and bonding characteristics of the phases. Finally, phonon calculation was conducted, and the thermodynamic properties were obtained and further discussed.
Energy Technology Data Exchange (ETDEWEB)
Zhou, Zhaobo [Key Laboratory of Advanced Materials of Yunnan Province & Key Laboratory of Advanced Materials of Non-Ferrous and Precious Rare Metals Ministry of Education, Kunming University of Science and Technology, Kunming 650093 (China); Zhou, Xiaolong, E-mail: kmzxlong@163.com [Key Laboratory of Advanced Materials of Yunnan Province & Key Laboratory of Advanced Materials of Non-Ferrous and Precious Rare Metals Ministry of Education, Kunming University of Science and Technology, Kunming 650093 (China); Zhang, Kunhua [State Key Laboratory of Rare Precious Metals Comprehensive Utilization of New Technologies, Kunming Institute of Precious Metals, Kunming 650106 (China)
2016-12-15
First-principle calculations were performed to investigate the structural, phase stability, electronic, elastic properties and hardness of monoclinic structure IrN{sub 2} (m-IrN{sub 2}), orthorhombic structure IrN{sub 2} (o-IrN{sub 2}) and zinc blende structure IrN (ZB IrN). The results show us that only m-IrN{sub 2} is both thermodynamic and dynamic stability. The calculated band structure and density of states (DOS) curves indicate that o-IrN{sub 2} and ZB Ir-N compounds we calculated have metallic behavior while m-IrN{sub 2} has a small band gap of ~0.3 eV, and exist a common hybridization between Ir-5d and N-2p states, which forming covalent bonding between Ir and N atoms. The difference charge density reveals the electron transfer from Ir atom to N atom for three Ir-N compounds, which forming strong directional covalent bonds. Notable, a strong N-N bond appeared in m-IrN{sub 2} and o-IrN{sub 2}. The ratio of bulk to shear modulus (B/G) indicate that three Ir-N compounds we calculated are ductile, and ZB IrN possesses a better ductility than two types IrN{sub 2}. m-IrN{sub 2} has highest Debye temperature (736 K), illustrating it possesses strongest covalent bonding. The hardness of three Ir-N compounds were also calculated, and the results reveal that m-IrN{sub 2} (18.23 GPa) and o-IrN{sub 2} (18.02 GPa) are ultraincompressible while ZB IrN has a negative value, which may be attributed to phase transition at ca. 1.98 GPa.
Czech Academy of Sciences Publication Activity Database
Friák, Martin; Hickel, T.; Kormann, F.; Udyansky, A.; Dick, A.; Šob, Mojmír
2011-01-01
Roč. 82, č. 2 (2011), s. 86-100 ISSN 1611-3683 R&D Projects: GA AV ČR IAA100100920; GA MŠk OC10008 Institutional research plan: CEZ:AV0Z20410507 Keywords : electronic structure * elasticity * theoretical strength Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 0.733, year: 2011
Remarks on stability of magneto-elastic shocks
Directory of Open Access Journals (Sweden)
Włodzimierz Domański
2015-12-01
Full Text Available The problem of stability of plane shock waves for a model of perfect magnetoelasticityis investigated. Important mathematical properties, like loss of strict hyperbolicityand loss of genuine nonlinearity, and their consequences for the stability ofmagneto-elastic shocks are discussed. It is shown that some of these shocks do not satisfyclassical Lax stability conditions. Both compressible and incompressible models ofmagneto-elasticity are discussed.[b]Keywords[/b]: perfect magneto-elasticity, shock waves, stability conditions
Elastic stability of thick auxetic plates
International Nuclear Information System (INIS)
Lim, Teik-Cheng
2014-01-01
Auxetic materials and structures exhibit a negative Poisson’s ratio while thick plates encounter shear deformation, which is not accounted for in classical plate theory. This paper investigates the effect of a negative Poisson’s ratio on thick plates that are subjected to buckling loads, taking into consideration the shear deformation using Mindlin plate theory. Using a highly accurate shear correction factor that allows for the effect of Poisson’s ratio, the elastic stability of circular and square plates are evaluated in terms of dimensionless parameters, namely the Mindlin-to-Kirchhoff critical buckling load ratio and Mindlin critical buckling load factors. Results for thick square plates reveal that both parameters increase as the Poisson’s ratio becomes more negative. In the case of thick circular plates, the Mindlin-to-Kirchhoff critical buckling load ratios and the Mindlin critical buckling load factors increase and decrease, respectively, as the Poisson’s ratio becomes more negative. The results obtained herein show that thick auxetic plates behave as thin conventional plates, and therefore suggest that the classical plate theory can be used to evaluate the elastic stability of thick plates if the Poisson’s ratio of the plate material is sufficiently negative. The results also suggest that materials with highly negative Poisson’s ratios are recommended for square plates, but not circular plates, that are subjected to buckling loads. (paper)
Elastic Properties and Stability of Physisorbed Graphene
Directory of Open Access Journals (Sweden)
Philippe Lambin
2014-05-01
Full Text Available Graphene is an ultimate membrane that mixes both flexibility and mechanical strength, together with many other remarkable properties. A good knowledge of the elastic properties of graphene is prerequisite to any practical application of it in nanoscopic devices. Although this two-dimensional material is only one atom thick, continuous-medium elasticity can be applied as long as the deformations vary slowly on the atomic scale and provided suitable parameters are used. The present paper aims to be a critical review on this topic that does not assume a specific pre-knowledge of graphene physics. The basis for the paper is the classical Kirchhoff-Love plate theory. It demands a few parameters that can be addressed from many points of view and fitted to independent experimental data. The parameters can also be estimated by electronic structure calculations. Although coming from diverse backgrounds, most of the available data provide a rather coherent picture that gives a good degree of confidence in the classical description of graphene elasticity. The theory can than be used to estimate, e.g., the buckling limit of graphene bound to a substrate. It can also predict the size above which a scrolled graphene sheet will never spontaneously unroll in free space.
Elastic electron scattering at large momentum transfer
International Nuclear Information System (INIS)
Arnold, R.G.
1979-05-01
A review is given of elastic electron scattering at large momentum transfer (Q 2 > 20 fm -2 ) from nuclei with A less than or equal to 4. Recent experimental results are reviewed and the current problems in interpretation of these results are pointed out. Some questions for future experiments are posed, and a preview of possible future measurements is presented. 28 references
Elastic and inelastic electron and muon scattering
International Nuclear Information System (INIS)
Hand, L.N.
1977-01-01
The current status of experiments in the field of elastic and inelastic electron and muon scattering is discussed. The talk is divided into discussions of the single arm inclusive experiments at SLAC and Fermilab; the multiparticle inclusive experiments at SLAC, Fermilab und Cornell, and a description of selected results from exclusive channel measurements on electroproduced final states. (orig.) [de
Elastic properties of fly ash-stabilized mixes
Directory of Open Access Journals (Sweden)
Sanja Dimter
2015-12-01
Full Text Available Stabilized mixes are used in the construction of bearing layers in asphalt and concrete pavement structures. Two nondestructive methods: resonant frequency method and ultrasonic pulse velocity method, were used for estimation of elastic properties of fly ash–stabilized mixes. Stabilized mixes were designed containing sand from the river Drava and binder composed of different share of cement and fly ash. The aim of the research was to analyze the relationship between the dynamic modulus of elasticity determined by different nondestructive methods. Data showed that average value of elasticity modulus obtained by the ultrasound velocity method is lower than the values of elasticity modulus obtained by resonant frequency method. For further analysis and enhanced discussion of elastic properties of fly ash stabilized mixes, see Dimter et al. [1].
Elastic Modulus at High Frequency of Polymerically Stabilized Suspensions
Nommensen, P.A.; Duits, Michael H.G.; van den Ende, Henricus T.M.; Mellema, J.
2000-01-01
The elastic moduli of polymerically stabilized suspensions consisting of colloidal silica particles coated with endgrafted PDMS (Mn = 80 000) in heptane, were measured as a function of concentration. And the elastic modulus at high frequency G'.. was quantitatively described by model calculations
Plutonium Elastic Moduli, Electron Localization, and Temperature
International Nuclear Information System (INIS)
Migliori, Albert; Mihut-Stroe, Izabella; Betts, Jon B.
2008-01-01
In almost all materials, compression is accompanied naturally by stiffening. Even in materials with zero or negative thermal expansion, where warming is accompanied by volume contraction it is the volume change that primarily controls elastic stiffness. Not so in the metal plutonium. In plutonium, alloying with gallium can change the sign of thermal expansion, but for the positive thermal- expansion monoclinic phase as well as the face-centered-cubic phase with either sign of thermal expansion, and the orthorhombic phase, recent measurements of elastic moduli show soften on warming by an order of magnitude more than expected, the shear and compressional moduli track, and volume seems irrelevant. These effects point toward a novel mechanism for electron localization, and have important implication for the pressure dependence of the bulk compressibility. (authors)
International Nuclear Information System (INIS)
Lv, Z.Q.; Zhou, Z.A.; Sun, S.H.; Fu, W.T.
2015-01-01
The calculated formation enthalpies of Fe 3 W 3 C (W in the 48f site) and Fe 2 W 4 C are negative, and they are of higher stability than other (Fe,W) 6 C phases. The 16d and 32e sites are comfortable for Fe atoms, while the W atom is preferential in the 48f site during the formation process of (Fe,W) 6 C carbides. An exchange of electrons takes place between the Fe/W and the C atom, and also appears between the Fe and W atom. In M–M bonds, besides metallic characters, a valence character between W–W bonds exists. Besides the nonmetal C atom with negative charges (obtaining electrons), the partial metal atoms of Fe and W in different M 6 C-type carbides show an electronegative phenomenon. The carbides W 6 C, Fe 5 WC, Fe 2 W 4 C and Fe 3 W 3 C-II likely have high temperature superconductive characters. The hardness of Fe 3 W 3 C (16.5 GPa) is the highest in these phases, and that of Fe 2 W 4 C (13.7 GPa) is the second highest. The Debye temperature (θ D ) of Fe 3 W 3 C–I (Fe in the 48f site) is lowest (254 K) in these carbides, and that of Fe 3 W 3 C-II suddenly changes to 568 K when W is in the 48f site. The change of the atom in the 48f site intensively influences the properties of M 6 C (M = Fe/W). - Graphical abstract: Display Omitted - Highlights: • The 16d and 32e sites are comfortable for Fe atoms, whereas W atom is preferential in 48f site. • An exchange of electrons takes place in the Fe/W–C, and also appears between the Fe and W atom. • Besides C atom with negative charges, Fe and W partially exists the electronegative phenomenon. • θ D of Fe 3 W 3 C (Fe in 48f) is 254 K, whereas that of Fe 3 W 3 C (W in 48f) changes to 568 K
Phase stability and elastic properties of Cr-V alloys
Gao, M. C.; Suzuki, Y.; Schweiger, H.; Doǧan, Ö. N.; Hawk, J.; Widom, M.
2013-02-01
V is the only element in the periodic table that forms a complete solid solution with Cr and thus is particularly important in alloying strategy to ductilize Cr. This study combines first-principles density functional theory calculations and experiments to investigate the phase stability and elastic properties of Cr-V binary alloys. The cluster expansion study reveals the formation of various ordered compounds at low temperatures that were not previously known. These compounds become unstable due to the configurational entropy of bcc solid solution as the temperature is increased. The elastic constants of ordered and disordered compounds are calculated at both T = 0 K and finite temperatures. The overall trends in elastic properties are in agreement with measurements using the resonant ultrasound spectroscopy method. The calculations predict that addition of V to Cr decreases both the bulk modulus and the shear modulus, and enhances the Poisson’s ratio, in agreement with experiments. Decrease in the bulk modulus is correlated to decrease in the valence electron density and increase in the lattice constant. An enhanced Poisson’s ratio for bcc Cr-V alloys (compared to pure Cr) is associated with an increased density of states at the Fermi level. Furthermore, the difference charge density in the bonding region in the (110) slip plane is highest for pure Cr and decreases gradually as V is added. The present calculation also predicts a negative Cauchy pressure for pure Cr, and it becomes positive upon alloying with V. The intrinsic ductilizing effect from V may contribute, at least partially, to the experimentally observed ductilizing phenomenon in the literature.
Phase stability and elastic properties of Cr-V alloys
Energy Technology Data Exchange (ETDEWEB)
Gao, M C; Suzuki, Y; Schweiger, H; Doğan, Ö N; Hawk, J; Widom, M
2013-01-23
V is the only element in the periodic table that forms a complete solid solution with Cr and thus is particularly important in alloying strategy to ductilize Cr. This study combines first-principles density functional theory calculations and experiments to investigate the phase stability and elastic properties of Cr–V binary alloys. The cluster expansion study reveals the formation of various ordered compounds at low temperatures that were not previously known. These compounds become unstable due to the configurational entropy of bcc solid solution as the temperature is increased. The elastic constants of ordered and disordered compounds are calculated at both T = 0 K and finite temperatures. The overall trends in elastic properties are in agreement with measurements using the resonant ultrasound spectroscopy method. The calculations predict that addition of V to Cr decreases both the bulk modulus and the shear modulus, and enhances the Poisson’s ratio, in agreement with experiments. Decrease in the bulk modulus is correlated to decrease in the valence electron density and increase in the lattice constant. An enhanced Poisson’s ratio for bcc Cr–V alloys (compared to pure Cr) is associated with an increased density of states at the Fermi level. Furthermore, the difference charge density in the bonding region in the (110) slip plane is highest for pure Cr and decreases gradually as V is added. The present calculation also predicts a negative Cauchy pressure for pure Cr, and it becomes positive upon alloying with V. The intrinsic ductilizing effect from V may contribute, at least partially, to the experimentally observed ductilizing phenomenon in the literature.
International Nuclear Information System (INIS)
Lesiak, B.; Kosinski, A.; Nowakowski, R.; Koever, L.; Toth, J.; Varga, D.; Cserny, I.; Sulyok, A.; Gergely, G.
2006-01-01
Complete text of publication follows. Elastic peak electron spectroscopy (EPES) deals with the interaction of electrons with atoms of a solid surface, studying the distribution of electrons backscattered elastically. The nearest vicinity of the elastic peak, (low kinetic energy region) reflects both, electron inelastic and quasi-elastic processes. The incident electrons produce surface excitations, inducing surface plasmons with the corresponding loss peaks separated by 1 - 20 eV energy from the elastic peak. Quasi-elastic losses result from the recoil of scattering atoms of different atomic number, Z. The respective energy shift and Doppler broadening of the elastic peak depend on Z, the primary electron energy, E, and the measurement geometry. Quantitative surface analytical application of EPES, such as determination of parameters describing electron transport, requires a comparison of experimental data with corresponding data derived from Monte Carlo (MC) simulation. Several problems occur in EPES studies of polymers. The intensity of elastic peak, considered in quantitative surface analysis, is influenced by both, the inelastic and quasi-elastic scattering processes (especially for hydrogen scattering atoms and primary electron energy above 1000 eV). An additional factor affecting the elastic peak intensity is the surface morphology and roughness. The present work compares the effect of these factors on the elastic peak intensity for selected polymers (polyethylene, polyaniline and polythiophenes). X-ray photoelectron spectroscopy (XPS) and helium pycnometry are applied for deriving the surface atomic composition and the bulk density, while scanning electron microscopy (SEM) and atomic force microscopy (AFM) for determining surface morphology and roughness. According to presented results, the influence of surface morphology and roughness is larger than those of surface excitations or recoil of hydrogen atoms. The component due to recoil of hydrogen atoms can be
Elastic scattering of low-energy electrons from ammonia
International Nuclear Information System (INIS)
Alle, D.T.; Gulley, R.J.; Buckman, S.J.; Brunger, M.J.
1992-01-01
We report absolute differential cross section measurements for vibrationally elastic electron scattering from NH 3 at incident energies from 2-30 eV. The present results, from a crossed electron-molecular beam apparatus, represent the first comprehensive experimental attempt to quantify the elastic electron-NH 3 scattering process. At each energy studied we have integrated our differential cross section data to generate total elastic and elastic momentum transfer cross sections and a critical comparison of both our differential and integral cross sections against previous experiment and theory is provided. We also report our observation of a strong Feshbach resonance in the elastic channel at an energy of 5.59 ± 0.05 eV. (Author)
Hydrocarbon isotope detection by elastic peak electron spectroscopy
Energy Technology Data Exchange (ETDEWEB)
Kostanovskiy, I.A., E-mail: kostanovskiyia@gmail.com [National Research University MPEI, Krasnokazarmennaya 14, 111250 Moscow (Russian Federation); Afanas’ev, V.P. [National Research University MPEI, Krasnokazarmennaya 14, 111250 Moscow (Russian Federation); Naujoks, D. [Max-Planck-Institut für Plasmaphysik, Teilinstitut Greifswald, Wendelsteinstraße 1, D-17491 Greifswald (Germany); Mayer, M. [Max-Planck-Institut für Plasmaphysik, D-85748 Garching (Germany)
2015-07-15
Highlights: • PCVD hydrocarbon coatings containing protium or deuterium are analyzed via NRA, ERD, XPS and EPES. • EPES analysis with modern electron energy analyzer SPECS Phoibos 225 shows a clear signal from the hydrogen isotopes. • Different primary energies and scattering angles help to quantify isotope content from EPES spectra. - Abstract: Experimental results on the hydrocarbon isotope analysis by elastic peak electron spectroscopy are presented. Amorphous hydrocarbon samples (a-C:H, a-C:D) are prepared by PCVD and analyzed by nuclear reaction analysis (NRA), elastic recoil detection analysis (ERD), X-ray photoelectron spectroscopy (XPS) and elastic peak electron spectroscopy (EPES). Electron energy spectra show a clear signal from the hydrogen isotopes deuterium and protium. Different incident energies and scattering geometries help to resolve plasmon and elastic energy losses.
Hydrocarbon isotope detection by elastic peak electron spectroscopy
International Nuclear Information System (INIS)
Kostanovskiy, I.A.; Afanas’ev, V.P.; Naujoks, D.; Mayer, M.
2015-01-01
Highlights: • PCVD hydrocarbon coatings containing protium or deuterium are analyzed via NRA, ERD, XPS and EPES. • EPES analysis with modern electron energy analyzer SPECS Phoibos 225 shows a clear signal from the hydrogen isotopes. • Different primary energies and scattering angles help to quantify isotope content from EPES spectra. - Abstract: Experimental results on the hydrocarbon isotope analysis by elastic peak electron spectroscopy are presented. Amorphous hydrocarbon samples (a-C:H, a-C:D) are prepared by PCVD and analyzed by nuclear reaction analysis (NRA), elastic recoil detection analysis (ERD), X-ray photoelectron spectroscopy (XPS) and elastic peak electron spectroscopy (EPES). Electron energy spectra show a clear signal from the hydrogen isotopes deuterium and protium. Different incident energies and scattering geometries help to resolve plasmon and elastic energy losses
First-principle calculations of structural, electronic, optical, elastic ...
Indian Academy of Sciences (India)
S CHEDDADI
2017-11-28
Nov 28, 2017 ... First-principle calculations on the structural, electronic, optical, elastic and thermal properties of the chalcopyrite ... The Kohn–Sham equations were solved using the ... RMTKmax = 7 was used for all the investigated systems,.
Unifying the criteria of elastic stability of solids
International Nuclear Information System (INIS)
Wang Hao; Li Mo
2012-01-01
The elastic stability criterion formulated by Born is based on the convexity requirement of the equilibrium free energy F of a stress-free crystal under small strain fluctuation, that demands the elastic constant tensor C to be positive definite, |C| > 0. For a crystal subject to an external stress, Hill specifies that for the crystal to be stable, the difference between its internal energy change δE and the work done to the system δW must be positive, i.e. δE - δW > 0. Polanyi, Frenkel, and Orowan proposed a different stability criterion based on stress increment for a loaded system, τ(ε + Δε) - τ(ε) > 0 until the limit is reached at dτ/dε = 0. Although known empirically, the formal connection between the different criteria has not been established rigorously. Using finite deformation theory, we show quite simply that the different formulations of the stability criteria originate from the same necessary condition for the convexity of the free energy of the system subject to external loading, f = F - W. However, in practice caution must be taken in implementation of the different criteria; they may lead to quite different results, especially when stability bifurcation occurs. (paper)
Structural, electronic and elastic properties of heavy fermion YbRh2 Laves phase compound
Pawar, Harsha; Shugani, Mani; Aynyas, Mahendra; Sanyal, Sankar P.
2018-05-01
The structural, electronic and elastic properties of YbRh2 Laves phase intermetallic compound which crystallize in cubic (MgCu2-type) structure have been investigated using ab-initio full potential linearized augmented plane wave (FP- LAPW) method with LDA and LDA+U approximation. The calculated ground state properties such as lattice parameter (a0), bulk modulus (B) and its pressure derivative (B') are in good agreement with available experimental and theoretical data. The electronic properties are analyzed from band structures and density of states. Elastic constants are predicted first time for this compound which obeys the stability criteria for cubic system.
Detailed Monte Carlo simulation of electron elastic scattering
International Nuclear Information System (INIS)
Chakarova, R.
1994-04-01
A detailed Monte Carlo model is described which simulates the transport of electrons penetrating a medium without energy loss. The trajectory of each electron is constructed as a series of successive interaction events - elastic or inelastic scattering. Differential elastic scattering cross sections, elastic and inelastic mean free paths are used to describe the interaction process. It is presumed that the cross sections data are available and the Monte Carlo algorithm does not include their evaluation. Electrons suffering successive elastic collisions are followed until they escape from the medium or (if the absorption is negligible) their path length exceeds a certain value. The inelastic events are thus treated as absorption. The medium geometry is a layered infinite slab. The electron source could be an incident electron beam or electrons created inside the material. The objective is to obtain the angular distribution, the path length and depth distribution and the collision number distribution of electrons emitted through the surface of the medium. The model is applied successfully to electrons with energy between 0.4 and 20 keV reflected from semi-infinite homogeneous materials with different scattering properties. 16 refs, 9 figs
Forward elastic scattering of electrons by hydrogen atoms
Energy Technology Data Exchange (ETDEWEB)
Garibotti, C.R. (Instituto de Fisica Teorica, R. Pamplona 145, Sao Paulo (Brazil)); Massaro, P.A. (Bari Univ. (Italy). Ist. di Fisica)
1978-01-11
The available theoretical and experimental values for the elastic, inelastic and ionization cross-sections of electrons by hydrogen atoms are used to obtain the total cross-section. The optical theorem and a dispersion relation are used to calculate the forward e-H scattering amplitude for medium and high energies. Using this quantity the reliability of the Born expansion for elastic e-H scattering is tested.
Stability of elastic columns with periodic retarded follower forces
Ma, Haitao; Butcher, Eric A.
2005-09-01
The objective of this work is to present a stability analysis for elastic columns under the influence of periodically varying follower forces whose orientation is retarded, i.e., depends on the position of the system at a previous time. One- and two-degree-of-freedom (dof) discretized systems under the simultaneous influence of both parametric excitation and time-delay, whose effects on such systems have previously been only considered separately, are studied. By employing an orthogonal polynomial approximation, the infinite-dimensional Floquet transition matrix associated with the time-periodic differential-delay system is approximated. The stability criteria that all the eigenvalues (Floquet multipliers) of this matrix must lie within the unit circle is then applied. The stability charts for different combinations of the remaining system parameters are shown, and the previously reported results for the special cases where either the parametric excitation or the time-delay vanishes are verified. Two cases, when the parametric forcing period is equal to or twice the delay period are taken into consideration in this work. For special cases of the single dof system, the numerical stability plots are verified by considering the analytical expressions for the corresponding stability boundaries for an analogous delayed Mathieu equation.
Alignment creation by elastic electron scattering. A quantum treatment
International Nuclear Information System (INIS)
Csanak, G.; Kilcrease, D.P.; Fursa, D.V.; Bray, I.
2004-01-01
Alignment creation by elastic heavy particle scattering has been studied by many authors. A formula for the alignment creation cross section by elastic scattering is obtained by quantum-mechanical methods. The formula obtained differs from the analogous formula relevant for inelastic electron scattering. In the case of a J=1 to J=1 transition according to the inelastic formula, the alignment created is proportional to the quantity σ (1) - σ (0) where σ (M) is the excitation cross section of the M magnetic sublevel and thus σ (1) = (σ 1-1 + σ 10 + σ 11 )/3 and σ (0) = (σ 0-1 +σ 00 + σ 01 )/3 where σ MM' refers to the cross section of the electron impact induced M' to M transition. In the elastic scattering alignment creation formula obtained in the case of a J=1 to J=1 elastic scattering, the alignment created is proportional to the quantity q(1) - q(0) where q(1) σ (1) - σ 11 /3 and q(0) = σ 00 /3. Thus in obtaining q(M), the elastic scattering cross section by the M magnetic sublevel, σ MM' , is subtracted. This derivation considered only direct scattering, i.e. the incident electron was considered distinguishable from the target electrons. (Y.Kazumata)
Energy Technology Data Exchange (ETDEWEB)
Fatima, Bushra, E-mail: bushrafatima25@gmail.com; Acharya, Nikita; Sanyal, Sankar P. [Department of Physics, Barkatullah University, Bhopal, 462026 (India)
2016-05-06
The structural stability, electronic structure, elastic and mechanical properties of TiZn and ZrZn intermetallics have been studied using ab-initio full potential linearized augmented plane wave (FP-LAPW) method within generalized gradient approximation for exchange and correlation potentials. The various structural parameters, such as lattice constant (a{sub 0}), bulk modulus (B), and its pressure derivative (B’) are analysed and compared. The investigation of elastic constants affirm that both TiZn and ZrZn are elastically stable in CsCl (B{sub 2} phase) structure. The electronic structures have been analysed quantitatively from the band structure which reveals the metallic nature of these compounds. To better illustrate the nature of bonding and charge transfer, we have also studied the Fermi surfaces. The three well known criterion of ductility namely Pugh’s rule, Cauchy’s pressure and Frantsevich rule elucidate the ductile nature of these compounds.
Phase Stability and Elasticity of TiAlN
Directory of Open Access Journals (Sweden)
Magnus Odén
2011-09-01
Full Text Available We review results of recent combined theoretical and experimental studies of Ti1−xAlxN, an archetypical alloy system material for hard-coating applications. Theoretical simulations of lattice parameters, mixing enthalpies, and elastic properties are presented. Calculated phase diagrams at ambient pressure, as well as at pressure of 10 GPa, show a wide miscibility gap and broad region of compositions and temperatures where the spinodal decomposition takes place. The strong dependence of the elastic properties and sound wave anisotropy on the Al-content offers detailed understanding of the spinodal decomposition and age hardening in Ti1−xAlxN alloy films and multilayers. TiAlN/TiN multilayers can further improve the hardness and thermal stability compared to TiAlN since they offer means to influence the kinetics of the favorable spinodal decomposition and suppress the detrimental transformation to w-AlN. Here, we show that a 100 degree improvement in terms of w-AlN suppression can be achieved, which is of importance when the coating is used as a protective coating on metal cutting inserts.
Elastic stability of biaxially loaded longitudinally stiffened composite structures.
Viswanathan, A. V.; Tamekuni, M.; Tripp, L. L.
1973-01-01
A linear analysis method is presented for the elastic stability of structures of uniform cross section, that may be idealized as an assemblage of laminated plate-strips, flat and curved, and beams. Each plate-strip and beam covers the entire length of the structure and is simply supported on the edges normal to the longitudinal axis. Arbitrary boundary conditions may be specified on any external longitudinal side of plate-strips. The structure or selected plate-strips may be loaded in any desired combination of inplane biaxial loads. The analysis simultaneously considers all modes of instability and is applicable for the buckling of laminated composite structures. Some numerical results are presented to indicate possible applications.
Structural, elastic, electronic and optical properties of bi-alkali ...
Indian Academy of Sciences (India)
The structural parameters, elastic constants, electronic and optical properties of the bi-alkali ... and efficient method for the calculation of the ground-state ... Figure 2. Optimization curve (E–V) of the bi-alkali antimonides: (a) Na2KSb, (b) Na2RbSb, (c) Na2CsSb, .... ical shape of the charge distributions in the contour plots.
Nucleon in nuclei from quasi-elastic electron scattering
International Nuclear Information System (INIS)
Gerard, A.
1987-04-01
One challenging problem in modern nuclear physics is to understand how the internal structure of the nucleon interferes with the dynamics of nucleons in a nucleus. The purpose of this paper is to review the present status of data in quasi-elastic electron scattering, to connect them with recent theoretical developments and to outline some future directions of research not accessible to present electron facilities
Elastic scattering of low energy electrons by hydrogen molecule
International Nuclear Information System (INIS)
Freitas, L.C.G.; Mu-Tao, L.; Botelho, L.F.
1987-01-01
The coherent version of the Renormalized Multiple-Centre Potential Model (RMPM) has been extended to treat the elastic scattering of low energy electrons by H2 molecule. The intramolecular Multiple Scattering (MS) effect has also been included. The comparison against the experimental data shows that the inclusion of the MS improves significantly with experiment. The extension of the present method to study electron-polyatomic molecule interaction is also discussed. (author) [pt
Elastic properties and electron transport in InAs nanowires
Energy Technology Data Exchange (ETDEWEB)
Migunov, Vadim
2013-02-22
The electron transport and elastic properties of InAs nanowires grown by chemical vapor deposition on InAs (001) substrate were studied experimentally, in-situ in a transmission electron microscope (TEM). A TEM holder allowing the measurement of a nanoforce while simultaneous imaging nanowire bending was used. Diffraction images from local areas of the wire were recorded to correlate elastic properties with the atomic structure of the nanowires. Another TEM holder allowing the application of electrical bias between the nanowire and an apex of a metallic needle while simultaneous imaging the nanowire in TEM or performing electron holography was used to detect mechanical vibrations in mechanical study or holographical observation of the nanowire inner potential in the electron transport studies. The combination of the scanning probe methods with TEM allows to correlate the measured electric and elastic properties of the nanowires with direct identification of their atomic structure. It was found that the nanowires have different atomic structures and different stacking fault defect densities that impacts critically on the elastic properties and electric transport. The unique methods, that were applied in this work, allowed to obtain dependencies of resistivity and Young's modulus of left angle 111 right angle -oriented InAs nanowires on defect density and diameter. It was found that the higher is the defect density the higher are the resistivity and the Young's modulus. Regarding the resistivity, it was deduced that the stacking faults increase the scattering of the electrons in the nanowire. These findings are consistent with the literature, however, the effect described by the other groups is not so pronounced. This difference can be attributed to the significant incompleteness of the physical models used for the data analysis. Regarding the elastic modulus, there are several mechanisms affecting the elasticity of the nanowires discussed in the thesis. It
Kagdada, Hardik L.; Jha, Prafulla K.; Śpiewak, Piotr; Kurzydłowski, Krzysztof J.
2018-04-01
The stability of GeTe in rhombohedral (R 3 m ), face centred cubic (F m 3 m ), and simple cubic (P m 3 m ) phases has been studied using density functional perturbation theory. The rhombohedral phase of GeTe is dynamically stable at 0 GPa, while F m 3 m and P m 3 m phases are stable at 3.1 and 33 GPa, respectively. The pressure-dependent phonon modes are observed in F m 3 m and P m 3 m phases at Γ and M points, respectively. The electronic and the thermoelectric properties have been investigated for the stable phases of GeTe. The electronic band gap for rhombohedral and F m 3 m phases of GeTe has been observed as 0.66 and 0.17 eV, respectively, while the P m 3 m phase shows metallic behavior. We have used the Boltzmann transport equation under a rigid band approximation and constant relaxation time approximation as implemented in boltztrap code for the calculation of thermoelectric properties of GeTe. The metallic behavior of P m 3 m phase gives a very low value of Seebeck coefficient compared to the other two phases as a function of temperature and the chemical potential μ. It is observed that the rhombohedral phase of GeTe exhibits higher thermoelectric performance. Due to the metallic nature of P m 3 m phase, negligible thermoelectric performance is observed compared to R 3 m and F m 3 m -GeTe. The calculated lattice thermal conductivities are low for F m 3 m -GeTe and high for R 3 m -GeTe. At the relatively higher temperature of 1350 K, the figure of merit ZT is found to be 0.7 for rhombohedral GeTe. The elastic constants satisfy the Born stability criteria for all three phases. The rhombohedral and F m 3 m phases exhibits brittleness and the P m 3 m phase shows ductile nature.
Robust parameterization of elastic and absorptive electron atomic scattering factors
International Nuclear Information System (INIS)
Peng, L.M.; Ren, G.; Dudarev, S.L.; Whelan, M.J.
1996-01-01
A robust algorithm and computer program have been developed for the parameterization of elastic and absorptive electron atomic scattering factors. The algorithm is based on a combined modified simulated-annealing and least-squares method, and the computer program works well for fitting both elastic and absorptive atomic scattering factors with five Gaussians. As an application of this program, the elastic electron atomic scattering factors have been parameterized for all neutral atoms and for s up to 6 A -1 . Error analysis shows that the present results are considerably more accurate than the previous analytical fits in terms of the mean square value of the deviation between the numerical and fitted scattering factors. Parameterization for absorptive atomic scattering factors has been made for 17 important materials with the zinc blende structure over the temperature range 1 to 1000 K, where appropriate, and for temperature ranges for which accurate Debye-Waller factors are available. For other materials, the parameterization of the absorptive electron atomic scattering factors can be made using the program by supplying the atomic number of the element, the Debye-Waller factor and the acceleration voltage. For ions or when more accurate numerical results for neutral atoms are available, the program can read in the numerical values of the elastic scattering factors and return the parameters for both the elastic and absorptive scattering factors. The computer routines developed have been tested both on computer workstations and desktop PC computers, and will be made freely available via electronic mail or on floppy disk upon request. (orig.)
Theoretical study of the electron-cluster elastic scattering
International Nuclear Information System (INIS)
Descourt, P.; Guet, C.; Farine, M.
1997-01-01
The properties of the clusters consisting of some tens to several hundreds of alkali atoms are generally quite well described in the jellium approximation. This approximation treats the cluster as a charged Fermi liquid of finite size. The optical response predicted by this approximation and taking into account the electron-electron correlations of the Hartree-Fock mean field agrees rather well with the experiment. The objective of this work was to obtain a quantal many-body formalism, within jellium approximation, applicable to elastic scattering of electrons from an alkali-metal-cluster. Influence of correlations on the phase shifts was also taken into account
Small angle elastic scattering of electrons by noble gas atoms
International Nuclear Information System (INIS)
Wagenaar, R.W.
1984-01-01
In this thesis, measurements are carried out to obtain small angle elastic differential cross sections in order to check the validity of Kramers-Kronig dispersion relations for electrons scattered by noble gas atoms. First, total cross sections are obtained for argon, krypton and xenon. Next, a parallel plate electrostatic energy analyser for the simultaneous measurement of doubly differential cross section for small angle electron scattering is described. Also absolute differential cross sections are reported. Finally the forward dispersion relation for electron-helium collisions is dealt with. (Auth.)
Measurement of neutrino flux from neutrino-electron elastic scattering
Park, J.; Aliaga, L.; Altinok, O.; Bellantoni, L.; Bercellie, A.; Betancourt, M.; Bodek, A.; Bravar, A.; Budd, H.; Cai, T.; Carneiro, M. F.; Christy, M. E.; Chvojka, J.; da Motta, H.; Dytman, S. A.; Díaz, G. A.; Eberly, B.; Felix, J.; Fields, L.; Fine, R.; Gago, A. M.; Galindo, R.; Ghosh, A.; Golan, T.; Gran, R.; Harris, D. A.; Higuera, A.; Kleykamp, J.; Kordosky, M.; Le, T.; Maher, E.; Manly, S.; Mann, W. A.; Marshall, C. M.; Martinez Caicedo, D. A.; McFarland, K. S.; McGivern, C. L.; McGowan, A. M.; Messerly, B.; Miller, J.; Mislivec, A.; Morfín, J. G.; Mousseau, J.; Naples, D.; Nelson, J. K.; Norrick, A.; Nuruzzaman; Osta, J.; Paolone, V.; Patrick, C. E.; Perdue, G. N.; Rakotondravohitra, L.; Ramirez, M. A.; Ray, H.; Ren, L.; Rimal, D.; Rodrigues, P. A.; Ruterbories, D.; Schellman, H.; Solano Salinas, C. J.; Tagg, N.; Tice, B. G.; Valencia, E.; Walton, T.; Wolcott, J.; Wospakrik, M.; Zavala, G.; Zhang, D.; Miner ν A Collaboration
2016-06-01
Muon-neutrino elastic scattering on electrons is an observable neutrino process whose cross section is precisely known. Consequently a measurement of this process in an accelerator-based νμ beam can improve the knowledge of the absolute neutrino flux impinging upon the detector; typically this knowledge is limited to ˜10 % due to uncertainties in hadron production and focusing. We have isolated a sample of 135 ±17 neutrino-electron elastic scattering candidates in the segmented scintillator detector of MINERvA, after subtracting backgrounds and correcting for efficiency. We show how this sample can be used to reduce the total uncertainty on the NuMI νμ flux from 9% to 6%. Our measurement provides a flux constraint that is useful to other experiments using the NuMI beam, and this technique is applicable to future neutrino beams operating at multi-GeV energies.
Elastic Stability of Concentric Tube Robots: A Stability Measure and Design Test.
Gilbert, Hunter B; Hendrick, Richard J; Webster, Robert J
2016-02-01
Concentric tube robots are needle-sized manipulators which have been investigated for use in minimally invasive surgeries. It was noted early in the development of these devices that elastic energy storage can lead to rapid snapping motion for designs with moderate to high tube curvatures. Substantial progress has recently been made in the concentric tube robot community in designing snap-free robots, planning stable paths, and characterizing conditions that result in snapping for specific classes of concentric tube robots. However, a general measure for how stable a given robot configuration is has yet to be proposed. In this paper, we use bifurcation and elastic stability theory to provide such a measure, as well as to produce a test for determining whether a given design is snap-free (i.e. whether snapping can occur anywhere in the unloaded robot's workspace). These results are useful in designing, planning motions for, and controlling concentric tube robots with high curvatures.
Polarization Measurements in elastic electron-deuteron scattering
International Nuclear Information System (INIS)
Garcon, M.
1989-01-01
The deuteron electromagnetic form factors, are recalled. The experiment, recently performed in the Bates accelerator (M.I.T.), is described. The aim of the experiment is the measurement of the tensor polarization of the backscattered deuteron, in the elastic electron-deuteron scattering, up to q = 4.6 f/m. Different experimental methods, concerning the determination of this observable, are compared. Several improvement possibilities in this field are suggested
Structural, elastic, and electronic properties of compressed ZnP{sub 2}
Energy Technology Data Exchange (ETDEWEB)
Huang, Hong-Mei [School of Physics and Electronic Engineering, Jiangsu Normal University, Xuzhou 221116 (China); Li, Yan-Ling, E-mail: ylli@jsnu.edu.cn [School of Physics and Electronic Engineering, Jiangsu Normal University, Xuzhou 221116 (China); Key Laboratory of Materials Physics, Institute of Solid State Physics, Chinese Academy of Sciences, Hefei 230031 (China); Zeng, Zhi [Key Laboratory of Materials Physics, Institute of Solid State Physics, Chinese Academy of Sciences, Hefei 230031 (China)
2013-06-15
The structural, elastic and electronic properties of compressed ZnP{sub 2} were investigated by first-principles total energy calculations. The optimized equilibrium structural parameters agree well with those of experiments for α-ZnP{sub 2} and β-ZnP{sub 2} at zero pressure. α-ZnP{sub 2} transforms into I4{sub 1}/22 phase (referred as γ-ZnP{sub 2}) at 11 GPa, which is an indirect band-gap (∼0.78 eV) semiconductor. Space group of low pressure phase is the subgroup of that of high pressure phase. The calculated elastic constants for α-ZnP{sub 2} and β-ZnP{sub 2} at zero pressure as well as γ-ZnP{sub 2} at phase transition pressure determine their stability mechanically. Phonon calculation confirms dynamical stability of γ-ZnP{sub 2}.
Elastic electron scattering from the DNA bases cytosine and thymine
International Nuclear Information System (INIS)
Colyer, C. J.; Bellm, S. M.; Lohmann, B.; Blanco, F.; Garcia, G.
2011-01-01
Cross-section data for electron scattering from biologically relevant molecules are important for the modeling of energy deposition in living tissue. Relative elastic differential cross sections have been measured for cytosine and thymine using the crossed-beam method. These measurements have been performed for six discrete electron energies between 60 and 500 eV and for detection angles between 15 deg. and 130 deg. Calculations have been performed via the screen-corrected additivity rule method and are in good agreement with the present experiment.
Magnetic effects in the paraxial regime of elastic electron scattering
Edström, Alexander; Lubk, Axel; Rusz, Ján
2016-11-01
Motivated by a recent claim [Phys. Rev. Lett. 116, 127203 (2016), 10.1103/PhysRevLett.116.127203] that electron vortex beams can be used to image magnetism at the nanoscale in elastic scattering experiments, using transmission electron microscopy, a comprehensive computational study is performed to study magnetic effects in the paraxial regime of elastic electron scattering in magnetic solids. Magnetic interactions from electron vortex beams, spin polarized electron beams, and beams with phase aberrations are considered, as they pass through ferromagnetic FePt or antiferromagnetic LaMnAsO. The magnetic signals are obtained by comparing the intensity over a disk in the diffraction plane for beams with opposite angular momentum or aberrations. The strongest magnetic signals are obtained from vortex beams with large orbital angular momentum, where relative magnetic signals above 10-3 are indicated for 10 ℏ orbital angular momentum, meaning that relative signals of one percent could be expected with the even larger orbital angular momenta, which have been produced in experimental setups. All results indicate that beams with low acceleration voltage and small convergence angles yield stronger magnetic signals, which is unfortunately problematic for the possibility of high spatial resolution imaging. Nevertheless, under atomic resolution conditions, relative magnetic signals in the order of 10-4 are demonstrated, corresponding to an increase with one order of magnitude compared to previous work.
International Nuclear Information System (INIS)
Yao Qiang; Zhu Yuhong; Wang Yan
2011-01-01
Ultrasoft pseudopotential within a generalized gradient approximation was employed to study the structural stability, electronic structure, and elastic properties of ternary Co 3 (Ga,W) precipitate. The Young's and shear moduli of the polycrystals containing the Co 3 (Ga,W) precipitate were calculated using the Voigt-Reuss-Hill averaging scheme. Results show that the stable ternary Co 3 (Ga,W) compound has the L1 2 structure, and is ductile in nature. The structural stability of the Co 3 (Ga,W) compound is discussed together with the calculated electronic structure.
Elastic scattering of low-energy electrons with Sr atoms
International Nuclear Information System (INIS)
Yuan, J.; Zhang, Z.; Wan, H.
1990-01-01
Static-exchange, plus correlation-polarization-potential calculations are performed for elastic low-energy electron scattering from Sr atoms while paying attention to the low-lying shape resonances. The correlation potential is calculated both with and without a scaling factor. A 2 D-shape resonance is produced at 1.0 eV with a parameter-free, and at 1.25 eV with a scaled, correlation potential. No 2 P-shape resonances are predicted, but evidence to support the existence of a stable negative ion Sr - in the 5s 2 5p electron configuration is given from the viewpoint of electron scattering. The bound energy of the extra electron in the negative ion is estimated by transforming the phase shift of the corresponding partial wave into the polarization quantum-defect number and extrapolating the number from positive to negative energies
Relativistic effects in elastic scattering of electrons in TEM
International Nuclear Information System (INIS)
Rother, Axel; Scheerschmidt, Kurt
2009-01-01
Transmission electron microscopy typically works with highly accelerated thus relativistic electrons. Consequently the scattering process is described within a relativistic formalism. In the following, we will examine three different relativistic formalisms for elastic electron scattering: Dirac, Klein-Gordon and approximated Klein-Gordon, the standard approach. This corresponds to a different consideration of spin effects and a different coupling to electromagnetic potentials. A detailed comparison is conducted by means of explicit numerical calculations. For this purpose two different formalisms have been applied to the approaches above: a numerical integration with predefined boundary conditions and the multislice algorithm, a standard procedure for such simulations. The results show a negligibly small difference between the different relativistic equations in the vicinity of electromagnetic potentials, prevailing in the electron microscope. The differences between the two numeric approaches are found to be small for small-angle scattering but eventually grow large for large-angle scattering, recorded for instance in high-angle annular dark field.
Absolute elastic cross sections for electron scattering from SF6
International Nuclear Information System (INIS)
Gulley, R.J.; Uhlmann, L.J.; Dedman, C.J.; Buckman, S.J.; Cho, H.; Trantham, K.W.
2000-01-01
Full text: Absolute differential cross sections for vibrationally elastic scattering of electrons from sulphur hexafluoride (SF 6 ) have been measured at fixed angles of 60 deg, 90 deg and 120 deg over the energy range of 5 to 15 eV, and also at 11 fixed energies between 2.7 and 75 eV for scattering angles between 10 deg and 180 deg. These measurements employ the magnetic angle-changing technique of Read and Channing in combination with the relative flow technique to obtain absolute elastic scattering cross sections at backward angles (135 deg to 180 deg) for incident energies below 15 eV. The results reveal some substantial differences with several previous determinations and a reasonably good level of agreement with a recent close coupling calculation
Electron and positron atomic elastic scattering cross sections
International Nuclear Information System (INIS)
Stepanek, Jiri
2003-01-01
A method was developed to calculate the total and differential elastic-scattering cross sections for incident electrons and positrons in the energy range from 0.01 eV to 1 MeV for atoms of Z=1-100. For electrons, hydrogen, helium, nitrogen, oxygen, krypton, and xenon, and for positrons, helium, neon, and argon atoms were considered for comparison with experimental data. First, the variationally optimized atomic static potentials were calculated for each atom by solving the Dirac equations for bound electron states. Second, the Dirac equations for a free electron or positron are solved for an atom using the previously calculated static potential accomplished (in the case of electrons) by 'adjusted' Hara's exchange potential for a free-state particle. Additional to the exchange effects, the charge cloud polarization effects are considered applying the correlation-polarization potential of O'Connell and Lane (with correction of Padial and Norcross) for incident electrons, and of Jain for incident positrons. The total, cutoff and differential elastic-scattering cross sections are calculated for incident electrons and positrons with the help of the relativistic partial wave analysis. The solid state effects for scattering in solids are described by means of a muffin-tin model, i.e. the potentials of neighboring atoms are superpositioned in such a way that the resulting potential and its derivative are zero in the middle distance between the atoms. The potential of isolated atom is calculated up to the radius at which the long-range polarization potential becomes a value of -10 -8
Vector analyzing power in elastic electron-proton scattering
International Nuclear Information System (INIS)
Diaconescu, L.; Ramsey-Musolf, M.J.
2004-01-01
We compute the vector analyzing power (VAP) for the elastic scattering of transversely polarized electrons from protons at low energies using an effective theory of electrons, protons, and photons. We study all contributions through second order in E/M, where E and M are the electron energy and nucleon mass, respectively. The leading-order VAP arises from the imaginary part of the interference of one- and two-photon exchange amplitudes. Subleading contributions are generated by the nucleon magnetic moment and charge radius as well as recoil corrections to the leading-order amplitude. Working to O(E/M) 2 , we obtain a prediction for A n that is free of unknown parameters and that agrees with the recent measurement of the VAP in backward angle ep scattering
Spin entanglement in elastic electron scattering from lithium atoms
Bartschat, K.; Santos, S. Fonseca dos
2017-04-01
In two recent papers [Blum and Lohmann, Phys. Rev. Lett. 116, 033201 (2016), 10.1103/PhysRevLett.116.033201; Lohmann et al., Phys. Rev. A 94, 032331 (2016), 10.1103/PhysRevA.94.032331], the possibility of continuously varying the degree of entanglement between an elastically scattered electron and the valence electron of an alkali-metal target was discussed. To estimate how well such a scheme may work in practice, we present results for elastic electron scattering from lithium in the energy regime of 1 -5 eV and the full range of scattering angles 0∘-180∘ . The most promising regime for Bell correlations in this particular collision system are energies between about 1.5 and 3.0 eV, in an angular range around 110∘±10∘ . In addition to the relative exchange asymmetry parameter, we present the differential cross section that is important when estimating the count rate and hence the feasibility of experiments using this system.
Molecular bonding in SF6 measured by elastic electron scattering
International Nuclear Information System (INIS)
Miller, J.D.; Fink, M.
1992-01-01
Elastic differential cross-section measurements of gaseous SF 6 were made with 30 keV electrons in the range of 0.25 bohrs -1 ≤s≤10 bohrs -1 . Structural parameters derived in this study closely matched those found in an earlier total (elastic plus inelastic) scattering investigation. Multiple-scattering effects were incorporated in the structural refinement. The discrepancies between the independent atom model and the measured differential cross section reproduce earlier total scattering results for momentum transfers of greater than 5 bohrs -1 . By extending the measurements to smaller s values, a closer examination of a Hartree--Fock calculation for SF 6 was possible. It was found that the difference curve obtained from the Hartree--Fock calculation matched the experimental data in this region. A more quantitative analysis was performed using the analytic expressions of Bonham and Fink to compute moments of the molecular charge distribution from the differential cross-section data. Comparison of these results with similar fits to the Hartree--Fock calculation confirmed the good agreement between the Hartree--Fock calculation and the current elastic data
Two-photon exchange in elastic electron-nucleon scattering
International Nuclear Information System (INIS)
Blunden, P.G.; Melnitchouk, W.; Tjon, J.A.
2005-01-01
A detailed study of two-photon exchange in unpolarized and polarized elastic electron-nucleon scattering is presented, taking particular account of nucleon finite size effects. Contributions from nucleon elastic intermediate states are found to have a strong angular dependence, which leads to a partial resolution of the discrepancy between the Rosenbluth and polarization transfer measurements of the proton electric to magnetic form factor ratio, G E /G M . The two-photon exchange contribution to the longitudinal polarization transfer P L is small, whereas the contribution to the transverse polarization transfer P T is enhanced at backward angles by several percent, increasing with Q 2 . This gives rise to a small, E /G M obtained from the polarization transfer ratio P T /P L at large Q 2 . We also compare the two-photon exchange effects with data on the ratio of e + p to e - p cross sections, which is predicted to be enhanced at backward angles. Finally, we evaluate the corrections to the form factors of the neutron and estimate the elastic intermediate state contribution to the 3 He form factors
Mesonic effects in the elastic electron deuteron scattering
International Nuclear Information System (INIS)
Konopka, G.
1981-01-01
The present thesis was concerned with the study of the electromagnetic structure of the deuteron in the framework of the OBE model using elastic electron-deuteron scattering with high momentum transfer. In the framework of the S-matrix formalism the differential cross sections was derived in first Born approximation. The calculation of the invariant amplitude led to the introduction of the electric and magnetic structure functions. From these structure functions the electromagnetic form factor was calculated. Furthermore the effective OBE-potential was derived in the framework of a projection procedure on the base of unitary transformations. (orig./HSI). [de
Spin asymmetry in resonant electron-hydrogen elastic scattering
International Nuclear Information System (INIS)
McCarthy, I.E.; Shang, Bo.
1993-02-01
Differential cross sections and asymmetries at 90 deg. and 30 deg are calculated for electron-hydrogen elastic scattering over the energies of the lowest 1 S and 3 P resonances using a nine-state coupled-channels calculation with and without continuum effects, which are represented by an equivalent-local polarization potential. The polarization potential improves agreement with experiment in general for the spin-averaged cross sections. It is suggested that continuum effects would be critically tested by asymmetry measurement at 30 deg over the 1 S resonance. 7 refs., 4 figs
Inversion of electron-water elastic scattering data
International Nuclear Information System (INIS)
Lun, A.; Chen, X.J.; Allen, L.J.; Amos, K.
1994-01-01
Fixed energy inverse scattering theory has been used to analyse the differential cross-sections for the elastic scattering of electrons from water molecules. Both semiclassical (WKB) and fully quantal inversion methods have been used with data taken in the energy range 100 to 1000 eV. Constrained to be real, the local inversion potentials are found to be energy dependent; a dependence that can be interpreted as the local equivalence of true nonlocality in the actual interaction. 14 refs., 4 tabs., 8 figs
Selectron production in quasi-elastic electron-proton scattering
International Nuclear Information System (INIS)
Bartels, J.; Hollik, W.
1985-08-01
We calculate the cross section for the production of selectrons in quasi-elastic electron proton scattering at HERA energies. In the region of very small momentum transfer the cross section turns out to be large: e.g. sigma=36 pb for a selectron mass of 60 GeV, tsub(min) 2 ), and photino mass small compared to the selectron mass. Together with the clean experimental signature, this large cross section makes the reaction e+P->e+γ tilde+P one of the most promising HERA-processes in connection with the search for supersymmetric particles. (orig.)
International Nuclear Information System (INIS)
Ryu, Bong Jo; Shin, Kwang Bok; Yim, Kyung Bin; Yoon, Young Sik
2006-01-01
This paper presents the dynamic stability of a cantilevered Timoshenko beam with a concentrated mass, partially attached to elastic foundations, and subjected to a follower force. Governing equations are derived from the extended Hamilton's principle, and FEM is applied to solve the discretized equation. The influence of some parameters such as the elastic foundation parameter, the positions of partial elastic foundations, shear deformations, the rotary inertia of the beam, and the mass and the rotary inertia of the concentrated mass on the critical flutter load is investigated. Finally, the optimal attachment ratio of partial elastic foundation that maximizes the critical flutter load is presented
Pawar, H.; Shugani, M.; Aynyas, M.; Sanyal, S. P.
2018-02-01
The structural, electronic and elastic properties of YbTM2 (TM = Ir and Pt) Laves phase intermetallic compounds which crystallize in cubic (MgCu2-type) structure, have been investigated using ab-initio full potential linearized augmented plane wave (FP-LAPW) method with LDA and LDA+U approximation. The calculated ground state properties such as lattice parameter (a0), bulk modulus (B) and its pressure derivative (B‧) are in good agreement with available experimental and theoretical data. The electronic properties are analyzed from band structures and density of states. Elastic constants are predicted first time for these compounds which obey the stability criteria for cubic system.
Parity Violation in Forward Angle Elastic Electron-Proton Scattering
Energy Technology Data Exchange (ETDEWEB)
Miller, IV, Grady Wilson [Princeton Univ., NJ (United States)
2001-01-01
We have measured the parity-violating electroweak asymmetry in the elastic scattering of polarized electrons from the proton at Jefferson Laboratory. The kinematic point (θ_{lab} = 12.3 deg. and (Q^{2}) = 0.48 (GeV/c)^{2}) is chosen to provide sensitivity to the strange electric form factor G^{s}_{E}. A 3.36 GeV beam of longitudinally polarized electrons was scattered from protons in a liquid hydrogen target. The scattered flux was detected by a pair of spectrometers which focussed the elastically-scattered electrons onto total-absorption detectors. The detector signals were integrated and digitized by a custom data acquisition system. A feedback system reduced systematic errors by controlling helicity-correlated beam intensity differences at the sub-ppm (part per million) level. The experimental result, A = 14.5 +/- 2.0 (stat) ± 1.1 (syst) ppm, is consistent with the electroweak Standard Model with no additional contributions from strange quarks. In particular, the measurement implies G^{S}_{E} + 0.39 G^{s}_{M} = 0.023 ± 0.040 ± 0.026 (ζG^{n}_{E}), where the last uncertainty is due to the estimated uncertainty in the neutron electric form factor G^{n}_{E} . This result represents the first experimental constraint of the strange electric form factor.
Elastic scattering of electrons from singly ionized argon
International Nuclear Information System (INIS)
Griffin, D.C.; Pindzola, M.S.
1996-01-01
Recently, Greenwood et al. [Phys. Rev. Lett. 75, 1062 (1995)] reported measurements of large-angle elastic scattering of electrons from singly ionized argon at an energy of 3.3 eV. They compared their results for the differential cross section with cross sections determined using phase shifts obtained from two different scattering potentials and found large discrepancies between theory and experiment at large angles. They state that these differences may be due to the effects of polarization of the target, which are not included in their calculations, as well as inaccurate representations of electron exchange in the local scattering potentials that are employed to determine the phase shifts. In order to test these proposed explanations of the discrepancies, we have carried out calculations of elastic scattering from Ar + using the R-matrix method. We compare both a single-state calculation, which does not include polarization, and a 17-state calculation, in which the effects of dipole polarizability are included through the use of polarization pseudostates within the close-coupling expansion, to each other and with the measurements. We find some differences between the two calculations at intermediate scattering angles, but very close agreement at angles above 100 degree. Although the calculated cross sections agree with experiment between 120 degree and 135 degree, large discrepancies persist at angles above 135 degree. We conclude that the differences between the measurements and theory cannot be explained on the basis of an inaccurate representation of electron exchange or polarization of the target. copyright 1996 The American Physical Society
Influences of alloying elements and oxygen on the stability and elastic properties of Mg17Al12
International Nuclear Information System (INIS)
Dai, Jianhong; Song, Yan; Yang, Rui
2014-01-01
Highlights: • Most alloying elements stabilize Mg 17 Al 12 with negative occupation energy. • The alloying element and oxygen co-existed Mg 17 Al 12 are stable. • Strong bonding interactions existed between alloying element and host atoms. - Abstract: Influence of alloying elements (Ca, Mn, Ni, Cu, Zn, Zr, Sn, and La) and oxygen on stability and elastic properties of Mg 17 Al 12 has been studied by first principles total energy calculations. The occupation preferences of oxygen and alloying elements in Mg 17 Al 12 are identified. Ca, Zr, and La tend to substitute for Mg atoms, Zn, Cu, and Ni prefer to occupy Al site, and Mn and Sn show positive occupation energy for substituting both Mg and Al atoms. The impurity oxygen prefers to occupy interstitial sites surrounded by four Mg atoms regardless the presence of alloying elements in this system. Elastic constants were estimated to evaluate the mechanical stability of alloyed systems. The results show that alloys which own negative occupation energy also satisfy the mechanical stability criteria. Electronic structures were analyzed to clarify the intrinsic mechanisms of how alloying elements and oxygen influence the stability of Mg 17 Al 12 . The stabilization effect of alloying elements and oxygen was found to originate from the strong bonding interaction with the matrix
Elastic and inelastic electron scattering on tensor polarized deuteron
International Nuclear Information System (INIS)
Zevakov, S.A.; Barkov, L.M.; Arenkhovel', Kh.
2006-01-01
The components T 20 and T 21 of the tensor analysis capability of the elastic electron scattering on deuteron are measured in the momentum transfer range of 8.4-21.6 fm -2 . The form factors of deuteron G C and G Q are defined in the momentum transfer range where the monopole charge form factor G C turns into zero. The preliminary measuring results of T 20 , T 21 and T 22 of the deuteron photodisintegration reaction in the photon energy range of 25-500 MeV and the proton departure angles equal to 20 deg-40 deg and 75 deg-105 deg are presented. The experimental results are compared with the theoretical predictions [ru
Proton and neutron densities from elastic electron scattering
International Nuclear Information System (INIS)
Frois, B.
1979-01-01
Elastic electron scattering has now determined extremely fine details of the shape of the nuclear groound state. The combination of (e,e) and muonic X-rays data are giving informations that are among the most precise on nuclear structure. This enables to see all the limitations of existing theories. However, we begin to have a very coherent description of nuclei with the self consistent field theories to a few percent. A very significant progress has been achieved with the calculations of RPA correlations in the round state in a self consistent way. Only recent experiments (on medium and heavy nuclei) of some significance for the understanding of the structure of the nucleus are reviewed
International Nuclear Information System (INIS)
Hua Manyu; Li Yimin; Long Chunguang; Li Xia
2012-01-01
The structural, electronic and elastic properties of potassium hexatitanate (K 2 Ti 6 O 13 ) whisker were investigated using first-principles calculations. The calculated cell parameters of K 2 Ti 6 O 13 including lattice constants and atomic positions are in good agreement with the experimental data. The obtained formation enthalpy (-61.1535 eV/atom) and cohesive energy (-137.4502 eV/atom) are both negative, showing its high structural stability. Further analysis of the electronic structures shows that the potassium hexatitanate is a wide-band semiconductor. Within K 2 Ti 6 O 13 crystal, the Ti---O bonding interactions are stronger than that of K---O, while no apparent K---Ti bonding interactions can be observed. The structural stability of K 2 Ti 6 O 13 was closely associated with the covalent bond interactions between Ti (d) and O (p) orbits. Further calculations on elastic properties show that K 2 Ti 6 O 13 is a high stiffness and brittle material with small anisotropy in shear and compression.
Low energy elastic electron scattering from polyatomic targets
International Nuclear Information System (INIS)
Khakoo, M A
2008-01-01
New differential cross-section measurements for elastic electron scattering from ethylene (C 2 H 4 ), three primary alcohols, methanol (CH 3 OH), ethanol (C 2 H 5 OH) and propanol (C 3 H 7 OH) are reported. The measurements are obtained using the relative flow method with a thin aperture as the collimating target gas source. The relative flow method is applied without the molecular diameters restriction imposed by the relative flow pressure condition on helium (the calibrating gas) and the unknown gases (the primary alcohols). The experimental data were taken at incident electron energies of 1eV, 2eV, 5eV, 10eV, 15eV, 20eV, 30eV, 50eV and 100eV, but only a brief survey of these results will be made here. The experimental results are compared to theoretical differential cross-sections are obtained by using the variational multi-channel Schwinger method. Initial comparisons between theory and experiment show that present theory is well-able to model low electron scattering from these polyatomic targets.
Elastic electron scattering from the DNA bases: cytosine and thymine
International Nuclear Information System (INIS)
Colyer, C J; Bellm, S M; Lohmanny, B; Blanco, F; Garcia, G
2012-01-01
Relative elastic differential cross sections for elastic scattering from cytosine and thymine have been measured using the crossed beam method. The experimental data are compared with theoretical cross sections calculated by the screen corrected additivity rule method.
Can electronic stability control replace studded tyres?
DEFF Research Database (Denmark)
Elvik, Rune
2015-01-01
Highlights • Electronic stability control can substitute studded tyres. • This makes it easier to discourage the use of studded tyres. • A certain level of use of studded tyres makes roads less slippery.......Highlights • Electronic stability control can substitute studded tyres. • This makes it easier to discourage the use of studded tyres. • A certain level of use of studded tyres makes roads less slippery....
Karam, Gebran Nizar
1994-01-01
Thin walled cylindrical shell structures are widespread in nature: examples include plant stems, porcupine quills, and hedgehog spines. All have an outer shell of almost fully dense material supported by a low density, cellular core. In nature, all are loaded in combination of axial compression and bending: failure is typically by buckling. Natural structures are often optimized. Here we have analyzed the elastic buckling of a thin cylindrical shell supported by an elastic core to show that this structural configuration achieves significant weight saving over a hollow cylinder. The results of the analysis are compared with data from an extensive experimental program on uniaxial compression and four point bending tests on silicone rubber shells with and without compliant foam cores. The analysis describes the results of the mechanical tests well. Characterization of the microstructures of several natural tubular structures with foamlike cores (plant stems, quills, and spines) revealed them to be close to the optimal configurations predicted by the analytical model. Biomimicking of natural cylindrical shell structures and evolutionary design processes may offer the potential to increase the mechanical efficiency of engineering cylindrical shells.
Nuclear isospin mixing and elastic parity-violating electron scattering
International Nuclear Information System (INIS)
Moreno, O.; Sarriguren, P.; Moya de Guerra, E.; Udias, J.M.; Donnelly, T.W.; Sick, I.
2009-01-01
The influence of nuclear isospin mixing on parity-violating elastic electron scattering is studied for the even-even, N=Z nuclei 12 C, 24 Mg, 28 Si, and 32 S. Their ground-state wave functions have been obtained using a self-consistent axially-symmetric mean-field approximation with density-dependent effective two-body Skyrme interactions. Some differences from previous shell-model calculations appear for the isovector Coulomb form factors which play a role in determining the parity-violating asymmetry. To gain an understanding of how these differences arise, the results have been expanded in a spherical harmonic oscillator basis. Results are obtained not only within the plane-wave Born approximation, but also using the distorted-wave Born approximation for comparison with potential future experimental studies of parity-violating electron scattering. To this end, for each nucleus the focus is placed on kinematic ranges where the signal (isospin-mixing effects on the parity-violating asymmetry) and the experimental figure-of-merit are maximized. Strangeness contributions to the asymmetry are also briefly discussed, since they and the isospin mixing contributions may play comparable roles for the nuclei being studied at the low momentum transfers of interest in the present work.
Structure, elastic properties and phase stability of Cr1-xAlxN
International Nuclear Information System (INIS)
Mayrhofer, P.H.; Music, D.; Reeswinkel, Th.; Fuss, H.-G.; Schneider, J.M.
2008-01-01
The effect of composition and metal sublattice population on the phase stability, structure and elastic properties of cubic (c), hexagonal (h) and orthorhombic spin-polarized Cr 1-x Al x N was studied using ab initio calculations. Excellent correlation between ab initio and experimentally obtained lattice parameters and elastic constants was obtained. The energy of formation suggests that the cubic phase can be stabilized for x in the range 0.48-0.75, depending on the metal sublattice population. The broad range of x, which is also observed in experiments, can be understood by considering the Al distribution induced changes in the configurational contribution to the total energy
Electron-He+ P-wave elastic scattering and photoabsorption in two-electron systems
International Nuclear Information System (INIS)
Bhatia, A. K.
2006-01-01
In a previous paper [A. K. Bhatia, Phys. Rev. A 69, 032714 (2004)], electron-hydrogen P-wave scattering phase shifts were calculated using the optical potential approach based on the Feshbach projection operator formalism. This method is now extended to the singlet and triplet electron-He + P-wave scattering in the elastic region. Phase shifts are calculated using Hylleraas-type correlation functions with up to 220 terms. Results are rigorous lower bounds to the exact phase shifts, and they are compared to phase shifts obtained from the method of polarized orbitals and close-coupling calculations. The continuum functions calculated here are used to calculate photoabsorption cross sections. Photoionization cross sections of He and photodetachment cross sections of H - are calculated in the elastic region--i.e., leaving He + and H in their respective ground states--and compared with previous calculations. Radiative attachment rates are also calculated
Spin entanglement in elastic electron scattering from quasi-one electron atoms
Fonseca Dos Santos, Samantha; Bartschat, Klaus
2017-04-01
We have extended our work on e-Li collisions to investigate low-energy elastic electron collisions with atomic hydrogen and other alkali targets (Na,K,Rb). These systems have been suggested for the possibility of continuously varying the degree of entanglement between the elastically scattered projectile and the valence electron. In order to estimate how well such a scheme may work in practice, we carried out overview calculations for energies between 0 and 10 eV and the full range of scattering angles 0° -180° . In addition to the relative exchange asymmetry parameter that characterizes the entanglement, we present the differential cross section in order to estimate whether the count rates in the most interesting energy-angle regimes are sufficient to make such experiments feasible in practice. Work supported by the NSF under PHY-1403245.
Relativistic corrections to the elastic electron scattering from 208Pb
International Nuclear Information System (INIS)
Chandra, H.; Sauer, G.
1976-01-01
In the present work we have calculated the differential cross sections for the elastic electron scattering from 208 Pb using the charge distributions resulting from various corrections. The point proton and neutron mass distributions have been calculated from the spherical wave functions for 208 Pb obtained by Kolb et al. The relativistic correction to the nuclear charge distribution coming from the electromagnetic structure of the nucleon has been accomplished by assuming a linear superposition of Gaussian shapes for the proton and the neutron charge form factor. Results of this calculation are quite similar to an earlier calculation by Bertozzi et al., who have used a different wave function for 208 Pb and have assumed exponential smearing for the proton corresponding to the dipole fit for the form factor. Also in the present work, reason for the small spin orbit contribution to the effective charge distribution is discussed in some detail. It is also shown that the use of a single Gaussian shape for the proton smearing usually underestimates the actual theoretical cross section
Li, Pan; Zhang, Jianxin; Ma, Shiyu; Jin, Huixin; Zhang, Youjian; Zhang, Wenyang
2018-06-01
The structural, elastic, electronic properties and Debye temperature of Ni3Ta under different pressures are investigated using the first-principles method based on density functional theory. Our calculated equilibrium lattice parameters at 0 GPa well agree with the experimental and previous theoretical results. The calculated negative formation enthalpies and elastic constants both indicate that Ni3Ta is stable under different pressures. The bulk modulus B, shear modulus G, Young's modulus E and Poisson's ratio ν are calculated by the Voigt-Reuss-Hill method. The bigger ratio of B/G indicates Ni3Ta is ductile and the pressure can improve the ductility of Ni3Ta. In addition, the results of density of states and the charge density difference show that the stability of Ni3Ta is improved by the increasing pressure. The Debye temperature ΘD calculated from elastic modulus increases along with the pressure.
Directory of Open Access Journals (Sweden)
Yuriy Natanzon
2008-01-01
Full Text Available We report ﬁrst principles calculations of the electronic and elastic properties of yttriastabilized tetragonal zirconium dioxide doped with metal oxides like: GeO2, TiO2, SiO2,MgO and Al2O3. It is shown that addition of such dopants aﬀects selected elastic propertiesof ZrO2, which is driven by the attraction of electron density by dopant atom and creationof stronger dopant–oxygen bonds. This eﬀect contributes to the increase of superplasticityof doped material.
International Nuclear Information System (INIS)
Jablonskiz, A.; Salvatz, F.; Powellz, C.J.
2004-01-01
Inelastic mean free paths (IMFPs) of electrons with energies between 100 eV and 5,000 eV have been frequently obtained from measurements of elastic-backscattering probabilities for different specimen materials. A calculation of these probabilities is also required to determine IMFPs. We report calculations of elastic-backscattering probabilities for gold at energies of 100 eV and 500 eV with differential elastic-scattering cross sections obtained from the Thomas-Fermi-Dirac potential and the more reliable Dirac-Hartree-Fock potential. For two representative experimental configurations, the average deviation between IMFPs obtained with cross sections from the two potentials was 11.4 %. (author)
A first principles study of the electronic structure, elastic and thermal properties of UB2
Jossou, Ericmoore; Malakkal, Linu; Szpunar, Barbara; Oladimeji, Dotun; Szpunar, Jerzy A.
2017-07-01
Uranium diboride (UB2) has been widely deployed for refractory use and is a proposed material for Accident Tolerant Fuel (ATF) due to its high thermal conductivity. However, the applicability of UB2 towards high temperature usage in a nuclear reactor requires the need to investigate the thermomechanical properties, and recent studies have failed in highlighting applicable properties. In this work, we present an in-depth theoretical outlook of the structural and thermophysical properties of UB2, including but not limited to elastic, electronic and thermal transport properties. These calculations were performed within the framework of Density Functional Theory (DFT) + U approach, using Quantum ESPRESSO (QE) code considering the addition of Coulomb correlations on the uranium atom. The phonon spectra and elastic constant analysis show the dynamic and mechanical stability of UB2 structure respectively. The electronic structure of UB2 was investigated using full potential linear augmented plane waves plus local orbitals method (FP-LAPW+lo) as implemented in WIEN2k code. The absence of a band gap in the total and partial density of states confirms the metallic nature while the valence electron density plot reveals the presence of covalent bond between adjacent B-B atoms. We predicted the lattice thermal conductivity (kL) by solving Boltzmann Transport Equation (BTE) using ShengBTE. The second order harmonic and third-order anharmonic interatomic force constants required as input to ShengBTE was calculated using the Density-functional perturbation theory (DFPT). However, we predicted the electronic thermal conductivity (kel) using Wiedemann-Franz law as implemented in Boltztrap code. We also show that the sound velocity along 'a' and 'c' axes exhibit high anisotropy, which accounts for the anisotropic thermal conductivity of UB2.
An Enhanced Asymptotic Expansion for the Stability of Nonlinear Elastic Structures
DEFF Research Database (Denmark)
Christensen, Claus Dencker; Byskov, Esben
2010-01-01
A new, enhanced asymptotic expansion applicable to stability of structures made of nonlinear elastic materials is established. The method utilizes “hyperbolic” terms instead of the conventional polynomial terms, covers full kinematic nonlinearity and is applied to nonlinear elastic Euler columns...... with two different types of cross-section. Comparison with numerical results show that our expansion provides more accurate predictions of the behavior than usual expansions. The method is based on an extended version of the principle of virtual displacements that covers cases with auxiliary conditions...
Influence of surface topography on elastically backscattered electrons
International Nuclear Information System (INIS)
Ding, X; Da, B; Gong, J B; Ding, Z J; Mao, S F
2014-01-01
A Monte Carlo simulation, taking into account of the detailed surface roughness of a realistic solid sample, has been performed to study the surface topography influence on elastic peak intensity. To describe quantitatively the surface topography effect, here we introduce surface roughness parameter (SRP) according to the ratio of elastic peak intensities between a rough surface and an ideal planar surface. Simulation results for Al sample have shown that SRP varies with surface roughness particularly at large incidence/emission angles
A first principle calculation of anisotropic elastic, mechanical and electronic properties of TiB
Zhang, Junqin; Zhao, Bin; Ma, Huihui; Wei, Qun; Yang, Yintang
2018-04-01
The structural, mechanical and electronic properties of the NaCl-type structure TiB are theoretically calculated based on the first principles. The density of states of TiB shows obvious density peaks at -0.70eV. Furthermore, there exists a pseudogap at 0.71eV to the right of the Fermi level. The calculated structural and mechanical parameters (i.e., bulk modulus, shear modulus, Young's modulus, Poisson's ratio and universal elastic anisotropy index) were in good agreement both with the previously reported experimental values and theoretical results at zero pressure. The mechanical stability criterion proves that TiB at zero pressure is mechanistically stable and exhibits ductility. The universal anisotropic index and the 3D graphics of Young's modulus are also given in this paper, which indicates that TiB is anisotropy under zero pressure. Moreover, the effects of applied pressures on the structural, mechanical and anisotropic elastic of TiB were studied in the range from 0 to 100GPa. It was found that ductility and anisotropy of TiB were enhanced with the increase of pressure.
Biskri, Zine Elabidine; Rached, Habib; Bouchear, Merzoug; Rached, Djamel
2014-04-01
The objective of this study is to investigate theoretically the structural, elastic and electronic properties of Lithium Disilicate (LD) crystal (Li2Si2O5), using the pseudo potential method based on Density Functional Theory (DFT) with the Local Density Approximation (LDA) and the Generalized Gradient Approximation (GGA). The calculated structural properties namely the equilibrium lattice parameters and cell volume are in good agreement with the available experimental results. However, for the LD crystal elastic moduli: Shear modulus G, Young's modulus E and Poisson's ratio ν we have found a discrepancy between our theoretical values and experimental ones reported in polycrystalline sample containing LD crystals. The calculated elastic properties show that LD is more rigid compared with other components. We also investigated the mechanical stability of Li2Si2O5 compound and we have noticed that this compound is stable against elastic deformations. On the basis of shear to bulk modulus ratio analysis, we inferred that Li2Si2O5 compound is brittle in nature. In order to complete the fundamental characteristics of this compound we have measured the elastic anisotropy. Our results for the energy band structure and Density of States (DOS) show that Li2Si2O5 compound has an insulator characteristic. Copyright © 2013 Elsevier Ltd. All rights reserved.
ZZ ELAST2, Database of Cross Sections for the Elastic Scattering of Electrons and Positrons by Atoms
International Nuclear Information System (INIS)
2002-01-01
1 - Historical background and information: This database is an extension of the earlier database, 'Elastic Scattering of Electrons and Positrons by Atoms: Database ELAST', Report NISTIR 5188, 1993. Cross sections for the elastic scattering of electrons and positrons by atoms were calculated at energies from 1 KeV to 100 MeV. Up to 10 MeV the RELEL code of Riley was used. Above 10 MeV the ELSCAT code was used, which calculated the factored cross sections and evaluates the screening factor Kscr in WKB approximation. 2 - Application of the data: This database was developed to provide input for the transport codes, such as ETRAN, and includes differential cross sections, the total cross section, and the transport cross sections. In addition, a code TRANSX is provided that generates transport cross section of arbitrary order needed as input for the calculation of Goudsmit-Saunderson multiple-scattering angular distribution 3 - Source and scope of data: The database includes cross sections at 61 energies for electrons and 41 energies from positrons, covering the energy region from 1 KeV to 100 MeV. The number of deflection angles included in the database is 314 angles. Total and transport cross sections are also included in this package. The data files have an extension (jjj) that represents the atomic number of the target atom. The database includes auxiliary data files that enable the ELASTIC code to include the following optional modifications: (i) the inclusion of the exchange correction for electrons scattering; (ii) the conversion of the cross sections for scattering by free atoms to cross sections for scattering by atoms in solids; (iii) ti reduction of the cross sections at large angles and at high energies when the nucleus is treated as an extended rather than a point charge
First principles study of electronic, elastic and thermal properties of lutetium intermetallics
International Nuclear Information System (INIS)
Pagare, Gitanjali; Chouhan, Sunil Singh; Soni, Pooja; Sanyal, S.P.; Rajagopalan, M.
2011-01-01
In the present work, the electronic, elastic and thermal properties of lutetium intermetallics LuX have been studied theoretically by using first principles calculations based on density functional theory (DFT) with the generalized gradient approximation (GCA)
International Nuclear Information System (INIS)
Varga, D.; Toekesi, K.; Berenyi, Z.; Toth, J.; Koever, L.
2004-01-01
Complete text of publication follows. Observation of the hydrogen peak is either challenging or impossible task for the conventional electron spectroscopy. Hydrogen was observed earlier in electron scattering experiments using transmission geometry and formvar film. In this work we show an alternative way for the detection of hydrogen peak analyzing the spectra of elastically backscattered electrons from polyethylene ((CH 2 ) n ). We take advantage of the fact that the elastic peak from polyethylene split into carbon and hydrogen components. The energy of the elastically scattered electrons is shifted from the nominal values due to the energy transfer between the primary electron and the target atoms (recoil effect). Due to the motion of the scattering atoms, a broadering of the energy width of the spectra takes place. We performed Monte Carlo simulation for 2 keV electrons penetrated and elastically backscattered from polyethylene sample. In our calculations both the elastic and inelastic scattering events were taken into account. We further assume that the thermal motion of the target atoms follows the Maxwell-Boltzmann energy distribution. After each elastic scattering the recoil energy was calculated according to ref Fig. 1 shows the geometric configuration used in the calculation. The initial angle of incident beam (θ) was 50 deg. Fig. 2 shows the gray scale plot of the intensity of electrons backscattered elastically from polyethylene. The separation between the carbon and hydrogen peaks is clearly seen. Our results show that the multiple electron scattering causes only minor changes in the energy shifts and broadenings of elastic peaks. Moreover, our simulations are in good agreement with our experimental observations. (author)
Xia, Minggang; Liang, Chunping; Hu, Ruixue; Cheng, Zhaofang; Liu, Shiru; Zhang, Shengli
2018-05-01
It is imperative and highly desirable to buffer the stress in flexible electronic devices. In this study, we designed and fabricated lamellate poly(dimethylsiloxane) (PDMS) samples with gradient elastic moduli, motivated by the protection of the pomelo pulp by its skin, followed by the measurements of their elastic moduli. We demonstrated that the electrical and fatigue performances of a Ag-nanowire thin film device on the PDMS substrate with a gradient elastic modulus are significantly better than those of a device on a substrate with a monolayer PDMS. This study provides a robust scheme to effectively protect flexible electronic devices.
On the proton exchange contribution to electron-hydrogen atom elastic scattering
International Nuclear Information System (INIS)
Mignaco, J.A.; Tort, A.C.
1979-05-01
It is shown that the exchange contribution to the electron-proton potential Born term in elastic electron-hydrogen atom scattering arises as the non relativistic limit from the exchange of a proton between the two participant electrons - calculated from quantum electrodynamics including properly bound states (as solution of Bethe - Salpeter equation). (Author) [pt
Aero-elastic stability of airfoil flow using 2-D CFD
Energy Technology Data Exchange (ETDEWEB)
Johansen, J [Risoe National Lab., Roskilde (Denmark)
1999-03-01
A three degrees-of-freedom structural dynamics model has been coupled to a two-dimensional incompressible CFD code. The numerical investigation considers aero-elastic stability for two different airfoils; the NACA0012 and the LM 2 18 % airfoils. Stable and unstable configurations and limit cycle oscillations are predicted in accordance with literature for the first airfoil. An attempt to predict stall induced edge-wise vibrations on a wind turbine airfoil fails using this two-dimensional approach. (au)
Phase stability, elasticity, and theoretical strength of polonium from first principles
Czech Academy of Sciences Publication Activity Database
Legut, Dominik; Friák, Martin; Šob, Mojmír
2010-01-01
Roč. 81, č. 21 (2010), 214118/1/-214118/19/ ISSN 1098-0121 R&D Projects: GA AV ČR IAA100100920; GA MŠk(CZ) OC10008 Institutional research plan: CEZ:AV0Z20410507 Keywords : polonium * phase stability * elasticity * theoretical strength * ab initio calculations Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 3.772, year: 2010
Increasing Laser Stability with Improved Electronic Instruments
Troxel, Daylin; Bennett, Aaron; Erickson, Christopher J.; Jones, Tyler; Durfee, Dallin S.
2010-03-01
We present several electronic instruments developed to implement an ultra-stable laser lock. These instruments include a high speed, low noise homodyne photo-detector; an ultrahigh stability, low noise current driver with high modulation bandwidth and digital control; a high-speed, low noise PID controller; a low-noise piezo driver; and a laser diode temperature controller. We will present the theory of operation for these instruments, design and construction techniques, and essential characteristics for each device.
Theory of atom displacements induced by fast electron elastic scattering in solids
International Nuclear Information System (INIS)
Cruz, C. M.; Pinera, I.; Abreu, Y.; Leyva, A.
2006-01-01
Present contribution deals with the theoretical description of the conditions favoring the occurrence of single fast electron elastic scattering in solids, leading to the displacement of atoms from their crystalline sites. Firstly, the Moliere-Bethe-Goudsmit-Saunderson theory of Multiple Electron Scattering is applied, determining the limiting angle θ l over which the single electron elastic scattering prevails over the multiple one, leading to the evaluation of the total macroscopic cross-section for single electron elastic scattering on the basis of the Mott-Rutherford differential cross-section. On the basis of single electron elastic scattering by atoms in the solid matrix, it was determined the relative number of Atom Displacements produced by the Gamma Radiation as a primary act, as well as the energy and linear momentum of the ejected atoms. The statistical distributions of single electron elastic scattering and of those inducing Atom Displacements at different electron initial energies in comparison with the others electron inelastic scattering channels are discussed, where the statistical sampling methods on the basis of the rejection one where applied simulating different practical situations. (Full text)
Electronic, elastic, and optical properties of monolayer BC{sub 2}N
Energy Technology Data Exchange (ETDEWEB)
Jiao, Lina; Hu, Meng; Peng, Yusi; Luo, Yanting; Li, Chunmei; Chen, Zhiqian, E-mail: chen_zq@swu.edu.cn
2016-12-15
The structural stability, electronic structure, elasticity, and optical properties of four types of monolayer BC{sub 2}N have been investigated from first principles using calculation based on density functional theory. The results show that the structural stability of BC{sub 2}N increases with the number of C–C and B–N bonds. By calculating the two-dimensional Young's modulus, shear modulus, Poisson's ratio, and shear anisotropic factors in different directions, four structures present various anisotropies and the most stable structure is almost isotropic. For C-type BC{sub 2}N, the values of two-dimensional Young's modulus, shear modulus, and bulk modulus (309, 128, 195 GPa m{sup −1}), are smaller than those of graphene (343, 151, 208) but bigger than those of h-BN (286, 185, 116). Furthermore, the dielectric function, refractive index, reflectivity, absorption coefficient, and energy loss spectrum are also calculated to investigate the mechanism underpinning the optical transitions in BC{sub 2}N, revealing monolayer BC{sub 2}N as a candidate window material. - Graphical abstract: Schematic diagram of BC{sub 2}N under the biaxial tensile strain. Changes in the valence-band top and the conduction-band bottom of BC{sub 2}N with increasing strain.
Optical model theory of elastic electron- and positron-atom scattering at intermediate energies
International Nuclear Information System (INIS)
Joachain, C.J.
1977-01-01
It is stated that the basic idea of the optical model theory is to enable analysis of the elastic scattering of a particle from a complex target by replacing the complicated interactions between the beam and the target by an optical potential, or pseudopotential, in which the incident particle moves. Once the optical potential is determined the original many-body elastic scattering problem reduces to a one-body situation. The resulting optical potential is, however, a very complicated operator, and the formal expressions obtained from first principles for the optical potential can only be evaluated approximately in a few simple cases, such as high energy elastic hadron-nucleus scattering, for the the optical potential can be expressed in terms of two-body hadron-nucleon amplitudes, and the non-relativistic elastic scattering of fast charged particles by atoms. The elastic scattering of an electron or positron by a neutral atom at intermediate energies is here considered. Exchange effects between the projectile and the atomic electrons are considered; also absorption and polarisation effects. Applications of the full-wave optical model have so far only been made to the elastic scattering of fast electrons and positrons by atomic H, He, Ne, and Ar. Agreements of the optical model results with absolute measurements of differential cross sections for electron scattering are very good, an agreement that improves as the energy increases, but deteriorates quickly as the incident energy becomes lower than 50 eV for atomic H or 100 eV for He. For more complex atoms the optical model calculations also appear very encouraging. With regard to positron-atom elastic scattering the optical model results for positron-He scattering differ markedly at small angles from the corresponding electron-He values. It would be interesting to have experimental angular distributions of positron-atom elastic scattering in order to check predictions of the optical model theory. (U.K.)
Elastic stability and vibration of toroidal magnets for fusion reactors. Final report
International Nuclear Information System (INIS)
Moon, F.C.; Swanson, C.
1975-09-01
The vibration and elastic stability of a set of discrete superconducting toroidal field magnets arranged to form a ''bumpy'' torus is examined. The mutual destabilizing magnetic forces between magnet pairs are calculated using a numerical differential inductance technique. It is shown that the mutual attractive magnetic forces can produce elastic buckling of the entire toroidal set. The vibration modes of the set are also found as functions of the coil current. The response of the set of magnets to an earthquake type motion of the toroidal base is calculated. The calculations have been incorporated in a computer code which accompanies the report. Measurements are made of the lateral stiffness of a flexible, planar, superconducting coil between two rigid coils in series. These tests show a dramatic decrease in the natural bending frequency with subsequent elastic instability or ''buckling'' at a critical value of the current in the coils. These observations support a magnetoelastic analysis which shows that proposed designs, of toroidal field coils for Tokamak fusion reactors, have insufficient lateral support for mechanical stability of the magnets
Stability and electronic properties of low-dimensional nanostructures
Guan, Jie
8, novel 2D structures are predicted theoretically. In Chapter 6, I propose two new stable structural phases of layered phosphorus besides the layered alpha-P (black) and beta-P (blue) phosphorus allotropes. A metal-insulator transition caused by inlayer strain or changing the number of layers is found in the new gamma-P phase. An unforeseen benefit is the possibility to connect different structural phases at no energy cost, which further leads to a paradigm of constructing very stable, faceted phosphorus nanotube and fullerene structures by laterally joining nanoribbons or patches of different planar phosphorene phases, which is discussed in Chapter 7. In Chapter 8, I propose previously unknown allotropes of PC in the stable shape of an atomically thin layer. Different stable geometries, which result from the competition between sp2 bonding found in graphitic C and sp3 bonding found in black P, display different electronic properties including metallic, semi-metallic with an anisotropic Dirac cone, and direct-gap semiconductors with their gap tunable by in-layer strain. In Chapter 9, I propose a fast method to determine the local curvature in 2D systems with arbitrary shape. The curvature information, combined with elastic constants obtained for a planar system, provides an accurate estimate of the local stability in the framework of continuum elasticity theory. This approach can be applied to all 2D structures. Finally, I present general conclusions from the PhD Thesis work in Chapter 10.
International Nuclear Information System (INIS)
Tőkési, K.; Varga, D.; Berényi, Z.
2015-01-01
We present results of theoretical and experimental studies of the spectra of electrons backscattered elastically from polyethylene in the primary energy range between 1 and 5 keV. The experiments were performed using a high energy resolution electron spectroscopy. The theoretical interpretation is based on a Monte Carlo simulation of the recoil and Doppler effects. The separation between the carbon and hydrogen peak in the energy distributions is shown as a function of the primary electron energy. The simulations give many partial distributions separately, depending on the number of elastic scatterings (single, and multiple scatterings of different types). We show our results for intensity ratios, peak shifts and broadenings. We also present detailed analytical calculations for the main parameters of a single scattering. Finally, we present a qualitative comparison with the experimental data. We find our resulting energy distribution of elastically scattered electrons to be in good agreement with our measurements
Partial stabilization and control of distributed parameter systems with elastic elements
Zuyev, Alexander L
2015-01-01
This monograph provides a rigorous treatment of problems related to partial asymptotic stability and controllability for models of flexible structures described by coupled nonlinear ordinary and partial differential equations or equations in abstract spaces. The text is self-contained, beginning with some basic results from the theory of continuous semigroups of operators in Banach spaces. The problem of partial asymptotic stability with respect to a continuous functional is then considered for a class of abstract multivalued systems on a metric space. Next, the results of this study are applied to the study of a rotating body with elastic attachments. Professor Zuyev demonstrates that the equilibrium cannot be made strongly asymptotically stable in the general case, motivating consideration of the problem of partial stabilization with respect to the functional that represents “averaged” oscillations. The book’s focus moves on to spillover analysis for infinite-dimensional systems with finite-dimensio...
Optimizing Tube Precurvature to Enhance Elastic Stability of Concentric Tube Robots.
Ha, Junhyoung; Park, Frank C; Dupont, Pierre E
2017-02-01
Robotic instruments based on concentric tube technology are well suited to minimally invasive surgery since they are slender, can navigate inside small cavities and can reach around sensitive tissues by taking on shapes of varying curvature. Elastic instabilities can arise, however, when rotating one precurved tube inside another. In contrast to prior work that considered only tubes of piecewise constant precurvature, we allow precurvature to vary along the tube's arc length. Stability conditions for a planar tube pair are derived and used to formulate an optimal design problem. An analytic formulation of the optimal precurvature function is derived that achieves a desired tip orientation range while maximizing stability and respecting bending strain limits. This formulation also includes straight transmission segments at the proximal ends of the tubes. The result, confirmed by both numerical and physical experiment, enables designs with enhanced stability in comparison to designs of constant precurvature.
Vibrations And Stability Of Bernoulli-Euler And Timoshenko Beams On Two-Parameter Elastic Foundation
Directory of Open Access Journals (Sweden)
Obara P.
2014-12-01
Full Text Available The vibration and stability analysis of uniform beams supported on two-parameter elastic foundation are performed. The second foundation parameter is a function of the total rotation of the beam. The effects of axial force, foundation stiffness parameters, transverse shear deformation and rotatory inertia are incorporated into the accurate vibration analysis. The work shows very important question of relationships between the parameters describing the beam vibration, the compressive force and the foundation parameters. For the free supported beam, the exact formulas for the natural vibration frequencies, the critical forces and the formula defining the relationship between the vibration frequency and the compressive forces are derived. For other conditions of the beam support conditional equations were received. These equations determine the dependence of the frequency of vibration of the compressive force for the assumed parameters of elastic foundation and the slenderness of the beam.
Normal Spin Asymmetries in Elastic Electron-Proton Scattering
International Nuclear Information System (INIS)
M. Gorchtein; P.A.M. Guichon; M. Vanderhaeghen
2004-01-01
We discuss the two-photon exchange contribution to observables which involve lepton helicity flip in elastic lepton-nucleon scattering. This contribution is accessed through the single spin asymmetry for a lepton beam polarized normal to the scattering plane. We estimate this beam normal spin asymmetry at large momentum transfer using a parton model and we express the corresponding amplitude in terms of generalized parton distributions. We further discuss this observable in the quasi-RCS kinematics which may be dominant at certain kinematical conditions and find it to be governed by the photon helicity-flip RCS amplitudes
Normal Spin Asymmetries in Elastic Electron-Proton Scattering
International Nuclear Information System (INIS)
Gorchtein, M.; Guichon, P.A.M.; Vanderhaeghen, M.
2005-01-01
We discuss the two-photon exchange contribution to observables which involve lepton helicity flip in elastic lepton-nucleon scattering. This contribution is accessed through the single spin asymmetry for a lepton beam polarized normal to the scattering plane. We estimate this beam normal spin asymmetry at large momentum transfer using a parton model and we express the corresponding amplitude in terms of generalized parton distributions. We further discuss this observable in the quasi-RCS kinematics which may be dominant at certain kinematical conditions and find it to be governed by the photon helicity-flip RCS amplitudes
International Nuclear Information System (INIS)
Breton, Vincent
1990-01-01
We have studied Coulomb effects in the electron-nucleus interaction by measuring electron and positron elastic scattering. The Coulomb field of the nucleus acts differently on theses particles because of their opposite charges. The experiment took place at the Accelerateur Lineaire de Saclay, with 450 MeV electrons and positrons. We measured the emittance of the positron and electron beams. We compared electron and positron beams having the same energy, the same emittance and the same intensity. This way, we measured positron scattering cross sections with 2 % systematic error. By comparing positron and electron elastic scattering cross sections for momentum transfers between 1 and 2 fm -1 , on a Lead 208 target, we showed that the calculations of Coulomb effects in elastic scattering are in perfect agreement with experimental results. The comparison of positron and electron elastic scattering cross sections on Carbon showed that dispersive effects are smaller than 2 % outside the diffraction minima. These two results demonstrate in a definitive way that electron scattering allows to measure charge densities in the center of nuclei with an accuracy of the order of 1 %. (author) [fr
A dynamic elastic and inelastic scattering theory of high-energy electrons
International Nuclear Information System (INIS)
Wang Zhonglin
1990-01-01
A review is given on the applications of elastic multislice theory for simulating the images and diffractions of reflection electron microscopy. The limitation of this theory is illustrated according to some experimental observations. A generalized elastic and inelastic multislice theory is then introduced from quantum mechanics; its applications for approaching inelastic plasmon excitation and phonon excitation (or thermal diffuse scattering) are discussed. The energy-filtered inelastic high resolution images can be simulated based on this theory
Flute-interchange stability in a hot electron plasma
International Nuclear Information System (INIS)
Dominguez, R.R.
1980-01-01
Several topics in the kinetic stability theory of flute-interchange modes in a hot electron plasma are discussed. The stability analysis of the hot-electron, curvature-driven flute-interchange mode, previously performed in a slab geometry, is extended to a cylindrical plasma. The cold electron concentration necessary for stability differs substantially from previous criteria. The inclusion of a finite temperature background plasma in the stability analysis results in an ion curvature-driven flute-interchange mode which may be stabilized by either hot-electron diamagnetic effects, hot-electron plasma density, or finite (ion) Larmor radius effects
Thermal stability control system of photo-elastic interferometer in the PEM-FTs
Zhang, M. J.; Jing, N.; Li, K. W.; Wang, Z. B.
2018-01-01
A drifting model for the resonant frequency and retardation amplitude of a photo-elastic modulator (PEM) in the photo-elastic modulated Fourier transform spectrometer (PEM-FTs) is presented. A multi-parameter broadband-matching driving control method is proposed to improve the thermal stability of the PEM interferometer. The automatically frequency-modulated technology of the driving signal based on digital phase-locked technology is used to track the PEM's changing resonant frequency. Simultaneously the maximum optical-path-difference of a laser's interferogram is measured to adjust the amplitude of the PEM's driving signal so that the spectral resolution is stable. In the experiment, the multi-parameter broadband-matching control method is applied to the driving control system of the PEM-FTs. Control of resonant frequency and retardation amplitude stabilizes the maximum optical-path-difference to approximately 236 μm and results in a spectral resolution of 42 cm-1. This corresponds to a relative error smaller than 2.16% (4.28 standard deviation). The experiment shows that the method can effectively stabilize the spectral resolution of the PEM-FTs.
Elastic, dynamical, and electronic properties of LiHg and Li3Hg: First-principles study
Wang, Yan; Hao, Chun-Mei; Huang, Hong-Mei; Li, Yan-Ling
2018-04-01
The elastic, dynamical, and electronic properties of cubic LiHg and Li3Hg were investigated based on first-principles methods. The elastic constants and phonon spectral calculations confirmed the mechanical and dynamical stability of the materials at ambient conditions. The obtained elastic moduli of LiHg are slightly larger than those of Li3Hg. Both LiHg and Li3Hg are ductile materials with strong shear anisotropy as metals with mixed ionic, covalent, and metallic interactions. The calculated Debye temperatures are 223.5 K and 230.6 K for LiHg and Li3Hg, respectively. The calculated phonon frequency of the T2 g mode in Li3Hg is 326.8 cm-1. The p states from the Hg and Li atoms dominate the electronic structure near the Fermi level. These findings may inspire further experimental and theoretical study on the potential technical and engineering applications of similar alkali metal-based intermetallic compounds.
Bhatia, A. K.; Temkin, A.; Fisher, Richard R. (Technical Monitor)
2001-01-01
We report on the first part of a study of electron-hydrogen scattering, using a method which allows for the ab initio calculation of total and elastic cross sections at higher energies. In its general form the method uses complex 'radial' correlation functions, in a (Kohn) T-matrix formalism. The titled method, abbreviated Complex Correlation Kohn T (CCKT) method, is reviewed, in the context of electron-hydrogen scattering, including the derivation of the equation for the (complex) scattering function, and the extraction of the scattering information from the latter. The calculation reported here is restricted to S-waves in the elastic region, where the correlation functions can be taken, without loss of generality, to be real. Phase shifts are calculated using Hylleraas-type correlation functions with up to 95 terms. Results are rigorous lower bounds; they are in general agreement with those of Schwartz, but they are more accurate and outside his error bounds at a couple of energies,
Elastic stability of silicone ferrofluid internal tamponade (SFIT) in retinal detachment surgery
Energy Technology Data Exchange (ETDEWEB)
Voltairas, P.A. E-mail: pvolter@cs.uoi.gr; Fotiadis, D.I.; Massalas, C.V
2001-07-01
It has been argued that silicone ferrofluid internal tamponade (SFIT) can provide (360 deg.) tamponade of the retina in retinal detachment surgery. Provided that the produced SFIT is biocompatible, exact knowledge is needed of its elastic stability in the magnetic field produced by the semi-solid magnetic silicon band (MSB) used as a scleral buckle. We propose a quantitative, phenomenological model to estimate the critical magnetic field produced by the MSB that 'closes' retinal tears and results in the reattachment of the retina. The magnetic 'deformation' of SFIT is modeled in accordance with the deformation of a ferrofluid droplet in an external magnetic field.
Study of the electrons elastic scattering by atoms through pseudopotentials
International Nuclear Information System (INIS)
Bettega, M.H.F.
1990-01-01
Pseudopotentials allow an extraordinary simplification in the calculation of the electronic structure of atoms, molecules and crystals. Though they have been used extensively for electronic structure calculations, little is known of their applicability to scattering. A study of the pseudopotentials of Bachelet, Hamann and Schuter in the electron scattering by atoms was made, calculating phase-shifts and cross sections for angular momenta 1=0,1 and 2 and energy up to 5 R y. The results for the pseudopotential were compared all-electron calculations. The agreement is very good in a broad energy band. A simplification of the calculation of scattering by complex molecules where an all-electron calculation is impossible is aimed. (author)
Li, X. D.; Li, K.; Wei, C. H.; Han, W. D.; Zhou, N. G.
2018-06-01
The structural, electronic, elastic, and thermodynamic properties of CaSi, Ca2Si, and CaSi2 are systematically investigated by using first-principles calculations method based on density functional theory (DFT). The calculated formation enthalpies and cohesive energies show that CaSi2 possesses the greatest structural stability and CaSi has the strongest alloying ability. The structural stability of the three phases is compared according to electronic structures. Further analysis on electronic structures indicates that the bonding of these phases exhibits the combinations of metallic, covalent, and ionic bonds. The elastic constants are calculated, and the bulk modulus, shear modulus, Young's modulus, Poisson's ratio, and anisotropy factor of polycrystalline materials are deduced. Additionally, the thermodynamic properties were theoretically predicted and discussed.
The dispersion relation for the forward elastic electron-atom scattering amplitude
International Nuclear Information System (INIS)
Amusia, M.Y.
1978-01-01
The analytical properties of forward elastic electron-atom scattering amplitude are discussed. It is noted that the occurrence of exchange between the incoming and atomic electrons leads to the appearance of a number of singularities on the negative real axis in the complex energy plane. The conclusion is drawn that the dispersion relation for the forward electron-atom scattering amplitude should also include an integration over the negative energy from - I to - infinity, where I is the ionization potential. (author)
Ab-initio study of phase stability, elastic and thermodynamic properties of AlY alloy under pressure
Energy Technology Data Exchange (ETDEWEB)
Zhou, Dawei [College of Physics and Electronic Engineering, Nanyang Normal University, Nanyang 473061 (China); Su, Taichao [Institute of Materials Science and Engineering, Henan Polytechnic University, Jiaozuo 454000 (China); Song, Haizhen; Lu, Cheng; Zhong, Zhiguo; Lu, Zhiwen [College of Physics and Electronic Engineering, Nanyang Normal University, Nanyang 473061 (China); Pu, Chunying, E-mail: puchunying@126.com [College of Physics and Electronic Engineering, Nanyang Normal University, Nanyang 473061 (China)
2015-11-05
Using the particle swarm optimization algorithm combined with first-principles methods, we explore the diagram of AlY alloy up to 250 GPa. It is found that AlDy phase, rather than the experimentally observed B2 phase, is the most stable structure at 0 K and 0–20 GPa. However, our results show that B2 phase can exist as a stable phase at 20–27.6 GPa. At higher pressure, four new high-pressure phases with Cmcm-I, Cmcm-II, I4/mmm and P4/nmm structure are identified for the first time. The hardness, elastic and thermodynamic properties of the newly found phases are investigated and compared with B2 phase. The calculated hardness of AlDy, Cmcm-I, Cmcm-II, I4/mmm and P4/nmm phases is in the range of 7–9 GPa, higher than that of B2 phase. In addition, it is found that AlDy phase is a brittle material at 0 GPa, which changes to a ductile material above 12 GPa. Except for AlDy phase, all the other AlY compounds exhibit completely ductile behavior under pressure. Compared with the other phases, B2 phase is found to have the best ductility and the largest elastic anisotropy over the whole pressure investigated. Moreover, all AlY intermetallics exhibit a nearly elastic isotropy in compressibility but a comparatively large elastic anisotropy in shear. The structural stability, electronic structure, bulk and shear modulus, Debye temperature as well as sound velocities of AlY alloy under pressure are also deeply discussed. - Graphical abstract: Pressure-induced phase transition of AlY alloy up to 250 GPa. - Highlights: • The diagram of AlY alloy was explored and four new stable phases were predicted. • B2 phase shows the largest ductility and elastic anisotropy among AlY alloys. • All AlY alloys exhibit ductile behavior except for AlDy phase under pressure. • All AlY alloys show strong isotropy in compressibility and anisotropy in shear.
Measurement of recoil photon polarisation in the electron-proton elastic scattering
International Nuclear Information System (INIS)
Buon, Jean
1965-02-01
This research thesis reports and discusses an experiment which aimed at checking the validity of the Born approximation at the first order in the elastic scattering of high energy electrons on protons. In this experiment, the recoil proton polarisation is measured in an elastic scattering of electrons with energy of 950 MeV and scattering at about 90 degrees in the mass centre system. The author describes the experimental installation, its operation and data collection, reports the analysis of photos and polarisation calculations and errors [fr
Energy Technology Data Exchange (ETDEWEB)
Sobkow, W.; Blaut, A. [University of Wroclaw, Institute of Theoretical Physics, Wroclaw (Poland)
2016-05-15
In this paper, we analyze the theoretically possible scenario beyond the standard model in order to show how the presence of the exotic scalar, tensor, V + A weak interactions in addition to the standard vector-axial (V - A) ones may help to distinguish the Dirac from Majorana neutrinos in the elastic scattering of an (anti)neutrino beam off the unpolarized electrons in the relativistic limit. We assume that the incoming (anti)neutrino beam comes from the polarized muon decay at rest and is the left-right chiral superposition with assigned direction of the transversal spin polarization with respect to the production plane. Our analysis is carried out for the flavour (current) neutrino eigenstates. It means that the transverse neutrino polarization estimates are the same both for the Dirac and Majorana cases. We display that the azimuthal asymmetry in the angular distribution of recoil electrons is generated by the interference terms between the standard and exotic couplings, which are proportional to the transversal (anti)neutrino spin polarization and independent of the neutrino mass. This asymmetry for the Majorana neutrinos is larger than for the Dirac ones. We also indicate the possibility of utilizing the azimuthal asymmetry measurements to search for the new CP-violating phases. Our study is based on the assumption that the possible detector (running for 1 year) has the shape of a flat circular ring, while the intense neutrino source is located in the centre of the ring and polarized perpendicularly to the ring. In addition, the large low-threshold, real-time detector is able to measure with a high resolution both the polar angle and the azimuthal angle of outgoing electron momentum. Our analysis is model-independent and consistent with the current upper limits on the non-standard couplings. (orig.)
Energy Technology Data Exchange (ETDEWEB)
Xu, Xuewen, E-mail: xuxuewen@hebut.edu.cn [School of Materials Science and Engineering, Hebei University of Technology, Tianjin 300130 (China); Fu, Kun [School of Computer Science and Engineering, Hebei University of Technology, Tianjin 300130 (China); Li, Lanlan; Lu, Zunming; Zhang, Xinghua; Fan, Ying; Lin, Jing; Liu, Guodong; Luo, Hongzhi; Tang, Chengchun [School of Materials Science and Engineering, Hebei University of Technology, Tianjin 300130 (China)
2013-06-15
We systematically investigated the crystal structure, stability, elastic properties, chemical bonding and electronic properties of the early-transition-metal monoborides (TMBs, where TM=Sc, Ti, V, Cr, Y, Zr, Nb, Mo, Hf, Mo, and W) using the ab initio calculations based on the density functional theory. The results indicated that all 11 TMBs crystallized to a CrB-type structure are thermodynamically and mechanically stable. The elastic constants were calculated using the finite strain method. The correlation between the electronic structure and elastic properties was discussed. YB was found to have high machinability (B/C{sub 44}=1.73) and low hardness (C{sub 44}=43 GPa). The weak interaction between the interleaved yttrium planes and weak pd bonding resulted in the good machinability of YB.
Hybrid Theory of Electron-Hydrogenic Systems Elastic Scattering
Bhatia, A. K.
2007-01-01
Accurate electron-hydrogen and electron-hydrogenic cross sections are required to interpret fusion experiments, laboratory plasma physics and properties of the solar and astrophysical plasmas. We have developed a method in which the short-range and long-range correlations can be included at the same time in the scattering equations. The phase shifts have rigorous lower bounds and the scattering lengths have rigorous upper bounds. The phase shifts in the resonance region can be used to calculate very accurately the resonance parameters.
Measurement of Deuteron Tensor Polarization in Elastic Electron Scattering
Energy Technology Data Exchange (ETDEWEB)
Gustafsson, Kenneth K. [Univ. of Maryland, College Park, MD (United States)
2000-01-01
Nuclear physics traces it roots back to the very beginning of the last century. The concept of the nuclear atom was introduced by Rutherford around 1910. The discovery of the neutron Chadwick in 1932 gave us the concept of two nucleons: the proton and the neutron. The Jlab electron accelerator with its intermediate energy high current continuous wave beam combined with the Hall C high resolution electron spectrometer and a deutron recoil polarimeter provided experiment E94018 with the opportunity to study the deuteron electomagnetic structure, in particular to measure the tensor polarization observable t_{20}, at high four momentum transfers than ever before. This dissertation presents results of JLab experiment E94018.
Elastic neutrino-electron scattering: a progress report on Exp734 at Brookhaven
International Nuclear Information System (INIS)
Abe, K.; Ahrens, L.A.; Amako, K.
1983-01-01
I will report preliminary results on elastic neutrino-electron scattering from data taken with the 200 ton segmented liquid scintillator - proportional drift-tube neutrino detector at Brookhaven. Features of the detector (such as the active target and long radiation length) permit a uniquely clean signal. Prospects of results from the completed analysis and further data taking are discussed
International Nuclear Information System (INIS)
Hao Xianfeng; Wu Zhijian; Xu Yuanhui; Zhou Defeng; Liu Xiaojuan; Meng Jian
2007-01-01
We investigate the cohesive energy, heat of formation, elastic constant and electronic band structure of transition metal diborides TMB 2 (TM = Hf, Ta, W, Re, Os and Ir, Pt) in the Pmmn space group using the ab initio pseudopotential total energy method. Our calculations indicate that there is a relationship between elastic constant and valence electron concentration (VEC): the bulk modulus and shear modulus achieve their maximum when the VEC is in the range of 6.8-7.2. In addition, trends in the elastic constant are well explained in terms of electronic band structure analysis, e.g., occupation of valence electrons in states near the Fermi level, which determines the cohesive energy and elastic properties. The maximum in bulk modulus and shear modulus is attributed to the nearly complete filling of TM d-B p bonding states without filling the antibonding states. On the basis of the observed relationship, we predict that alloying W and Re in the orthorhombic structure OsB 2 might be harder than alloying the Ir element. Indeed, the further calculations confirmed this expectation
Energy Technology Data Exchange (ETDEWEB)
Hao Xianfeng [Key Laboratory of Rare Earth Chemistry and Physics, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun 130022 (China); Wu Zhijian [Key Laboratory of Rare Earth Chemistry and Physics, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun 130022 (China); Xu Yuanhui [School of Biological Engineering, Changchun University of Technology, Changchun 130012 (China); Zhou Defeng [School of Biological Engineering, Changchun University of Technology, Changchun 130012 (China); Liu Xiaojuan [Key Laboratory of Rare Earth Chemistry and Physics, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun 130022 (China); Meng Jian [Key Laboratory of Rare Earth Chemistry and Physics, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun 130022 (China)
2007-05-16
We investigate the cohesive energy, heat of formation, elastic constant and electronic band structure of transition metal diborides TMB{sub 2} (TM = Hf, Ta, W, Re, Os and Ir, Pt) in the Pmmn space group using the ab initio pseudopotential total energy method. Our calculations indicate that there is a relationship between elastic constant and valence electron concentration (VEC): the bulk modulus and shear modulus achieve their maximum when the VEC is in the range of 6.8-7.2. In addition, trends in the elastic constant are well explained in terms of electronic band structure analysis, e.g., occupation of valence electrons in states near the Fermi level, which determines the cohesive energy and elastic properties. The maximum in bulk modulus and shear modulus is attributed to the nearly complete filling of TM d-B p bonding states without filling the antibonding states. On the basis of the observed relationship, we predict that alloying W and Re in the orthorhombic structure OsB{sub 2} might be harder than alloying the Ir element. Indeed, the further calculations confirmed this expectation.
On the theory of elastic scattering of spin polarized electrons from ferromagnets
International Nuclear Information System (INIS)
Helman, J.S.
1984-01-01
The first Born approximation supposedly inadequate for dealing with elastic scattering of spin polarized electrons on ferromagnets is reconsidered. It is found that when used in conjunction with a spin dependent pseudopotential, it can describe the gross features of the ansisotropy. (Author) [pt
On the theory of elastic scattering of spin polarized electrons from ferromagnets
International Nuclear Information System (INIS)
Helman, J.S.; Baltenspenger, W.
1984-01-01
The first Born approximation supposedly inadequate for dealing with the elastic scattering of spin polarized electrons on ferromagnets is reconsidered. It is found that when used in conjunction with a spin dependent pseudo-potential, it can describe the gross features of the anisotropy. (author) [pt
Numerical determination of elastic positron- and electron-atom scattering phaseshifts
International Nuclear Information System (INIS)
Page, B.A.P.
1976-01-01
Numerical investigations of both the positron- and electron-hydrogen systems in the elastic scattering energy region are presented. For the positron-hydrogen system, modifications of the Kohn variational method are used in which the quantities etasub(v) and etasub(Q) are related to the trial wavefunction PSIsub(t) through integral expressions using approximations to the target wavefunction psi. The quantities etasub(v) and etasub(Q) become the Kohn elastic phaseshifts when the exact target wavefunction is used. From the results obtained for the positron-hydrogen system it is conjectured that if the values of either etasub(v) or etasub(Q) display a local maximum when all the nonlinear parameters of PSIsub(t) are varied, then this local maximum value is a good approximation to the Kohn elastic phaseshifts that would be obtained by replacing the approximate psi with the exact psi in the particular PSIsub(t) used in the calculations. Application of this procedure to the positron-helium elastic scattering system is given using Hylleraas-type approximations to the helium ground-state wavefunction. Both the positron- and electron-hydrogen systems are analysed in the elastic scattering energy region using a modified optical potential method. The results suggest that the local maximum value of the modified optical potential phaseshift when all the nonlinear parameters of PSIsub(t) are varied, is reasonably close to the normal optical potential phaseshift obtained when the exact psi is used. (author)
Energy Technology Data Exchange (ETDEWEB)
Guechi, A., E-mail: ab_guechi@yahoo.fr [Institute of Optics and Precision Mechanics, Setif-1 University, 19000 Setif (Algeria); Laboratory of Optoelectronics and Components, Department of Physics, Faculty of Science, Setif-1 University, 19000 Setif (Algeria); Merabet, A. [Institute of Optics and Precision Mechanics, Setif-1 University, 19000 Setif (Algeria); Laboratory of Physics and Mechanics of Metallic Materials, Setif-1 University, 19000 Setif (Algeria); Chegaar, M. [Laboratory of Optoelectronics and Components, Department of Physics, Faculty of Science, Setif-1 University, 19000 Setif (Algeria); Bouhemadou, A. [Laboratory for Developing New Materials and their Characterization, Department of Physics, Faculty of Science, Setif-1 University, 19000 Setif (Algeria); Department of Physics and Astronomy, College of Science, King Saud University, P.O. Box 2455, Riyadh 11451 (Saudi Arabia); Guechi, N. [Laboratory for Developing New Materials and their Characterization, Department of Physics, Faculty of Science, Setif-1 University, 19000 Setif (Algeria)
2015-02-25
Highlights: • KAsSn is interesting in the materials community due to its complex structure and narrow gap. • Physical properties of KAsSn have not taken much attention in previous studies. • The KAsSn structure is shown to be mechanically stable. • KAsSn is predicted to be brittleness and characterized by a weak elastic anisotropy. • Its high absorption in the U.V. energy range shows its use in the optoelectronic devices. - Abstract: In this work, a first-principles study of ternary Zintl phase KAsSn compound using density-functional theory (DFT) method within the generalized gradient approximation developed by Wu–Cohen (GGA-Wc) has been performed. Based on the optimized structural parameter, the electronic structure, elastic and optical properties have been investigated. The calculated lattice constants agree reasonably with the previous results. The effect of high pressure on the structural parameters has been shown. The elastic constants were calculated and satisfy the stability conditions for hexagonal crystal. These indicate that this compound is stable in the studied pressure regime. The single crystal elastic constants (C{sub ij}) and related properties are calculated using the static finite strain technique, moreover the polycrystalline elastic moduli such as bulk modulus, shear modulus, micro-hardness parameter H{sub ν}, Young’s modulus and Poisson’s ratio were estimated using Voigt, Reuss and Hill’s (VRH) approximations. The elastic anisotropy of the KAsSn was also analyzed. On another hand the Debye temperature was obtained from the average sound velocity. Electronic properties have been studied throughout the calculation of band structure, density of states and charge densities. It is shown that this crystal belongs to the semiconductors with a pseudo gap of about 0.34 eV. Furthermore, in order to clarify the optical transitions of this compound, linear optical functions including the complex dielectric function, refractive index
Remarks on some reference materials for applications in elastic peak electron spectroscopy
International Nuclear Information System (INIS)
Jablonski, A.; Zemek, J.
2010-01-01
The quantification of results of electron spectroscopies, AES and XPS, requires knowledge of the inelastic mean free path (IMFP) of signal electrons in solids. This parameter determines the surface sensitivity of both techniques. There are two methods of determining the IMFPs that provide these parameters in agreement with the definition: (1) calculations based on the experimental optical data, and (2) calculations based on measurements of the electron elastic backscattering intensity. The latter method requires the use of some reference material for which the IMFP is known. In 1999, an extensive analysis of the published IMFPs has been performed; the results indicated that there is a very good agreement between the calculated and measured IMFPs for four elemental solids: Ni, Cu, Ag and Au. The averaged IMFPs for these elements are known under the name of the recommended IMFPs. However, no preference among these four elements has been established. In the present work, an attempt is made to select an element for which the recommended IMFPs result in the best agreement between the calculated and measured intensities of elastic electron backscattering. For this purpose, the elastic backscattering intensity has been measured at eight electron energies varying from 200 to 1500 eV. At each energy, the intensity was measured over a wide range of emission angles from 35deg to 74deg. The experiments were accompanied with Monte Carlo calculations of the elastic backscattering probability for the same energies and experimental configurations. It has been found, from comparison, that the best agreement is observed for Au, and this element is thus recommended as the reference material. It has been shown that the shape of the emission angle dependence of the elastic backscattering intensity is noticeably influenced by the surface energy losses. (author)
International Nuclear Information System (INIS)
Kern, F.; Wolf, D.; Pschera, P.; Lubk, A.
2016-01-01
Off-axis electron holography is a well-established transmission electron microscopy technique, typically employed to investigate electric and magnetic fields in and around nanoscale materials, which modify the phase of the reconstructed electron wave function. Here, we elaborate on a detailed analysis of the two characteristic intensity terms that are completing the electron hologram, the conventional image intensity and the interference fringe intensity. We show how both are related to elastic and inelastic scattering absorption at the sample and how they may be separated to analyze the chemical composition of the sample. Since scattering absorption is aperture dependent, a quantitative determination of the corresponding attenuation coefficients (reciprocal mean free path lengths) requires the use of holographic image modi with well-defined objective aperture stops in the back-focal plane of the objective lens. The proposed method extends quantitative electron holography to a correlated three-in-one characterization of electric and magnetic fields, Z-contrast and dielectric losses in materials. - Highlights: • Quantitative determination of attenuation coefficients by electron holography. • Separation of elastic and inelastic attenuation coefficients (mean free path length). • Quantitative determination of the objective aperture semi-angle influence. • Compilation of elastic and inelastic attenuation from different materials.
Energy Technology Data Exchange (ETDEWEB)
Kern, F.; Wolf, D.; Pschera, P.; Lubk, A.
2016-12-15
Off-axis electron holography is a well-established transmission electron microscopy technique, typically employed to investigate electric and magnetic fields in and around nanoscale materials, which modify the phase of the reconstructed electron wave function. Here, we elaborate on a detailed analysis of the two characteristic intensity terms that are completing the electron hologram, the conventional image intensity and the interference fringe intensity. We show how both are related to elastic and inelastic scattering absorption at the sample and how they may be separated to analyze the chemical composition of the sample. Since scattering absorption is aperture dependent, a quantitative determination of the corresponding attenuation coefficients (reciprocal mean free path lengths) requires the use of holographic image modi with well-defined objective aperture stops in the back-focal plane of the objective lens. The proposed method extends quantitative electron holography to a correlated three-in-one characterization of electric and magnetic fields, Z-contrast and dielectric losses in materials. - Highlights: • Quantitative determination of attenuation coefficients by electron holography. • Separation of elastic and inelastic attenuation coefficients (mean free path length). • Quantitative determination of the objective aperture semi-angle influence. • Compilation of elastic and inelastic attenuation from different materials.
International Nuclear Information System (INIS)
Wang, S Q; Ye, H Q; Yip, S
2006-01-01
We investigate the stress-strain relationship and elastic stability of zinc-blende GaP, GaN, InP and BN lattices under hydrostatic pressure by first-principles calculation. A simple and direct ab initio implementation for studying the mechanical properties of cubic crystals is developed. The four phases' full-set stress-strain coefficients in wide pressure ranges are theoretically calculated. The fundamental mechanism of elastic stability and the origin of phase transformation under hydrostatic pressure are explored. We found that the abilities for most of these lattices are enhanced to sustain axial strain but weaken to shear strain under higher pressure. The conditions of lattice stability are analysed using both the thermodynamic work-energy criterion and the elastic-stiffness criteria. We show that the lattice collapse of the perfect crystals is caused by the disappearance of their bulk moduli under volume dilation. Lattice defects are considered to be the main reason causing phase transformation under pressure. The correlation between the phonon softening and the variation of elastic coefficients is studied. The pressure dependence of the Kleinman internal strain parameter and its relationship to elastic stability is also explored
Alpha-ketoglutarate stabilizes redox homeostasis and improves arterial elasticity in aged mice.
Niemiec, T; Sikorska, J; Harrison, A; Szmidt, M; Sawosz, E; Wirth-Dzieciolowska, E; Wilczak, J; Pierzynowski, S
2011-02-01
The objective of this study was to evaluate the effect of α-ketoglutarate on redox state parameters and arterial elasticity in elderly mice. Mice in the control group were fed with standard diet, while the experimental animals received the diet supplemented either with calcium (Ca-AKG) or sodium salt of α-ketoglutarate (Na-AKG). The experimental animals were divided into 4 groups with 10 individuals in each: control I (12 months old), control II (2 months old), experimental group I fed with Ca-AKG (12 months old) and experimental group II fed with Na-AKG (12 months old). Mice treated with Ca-AKG as well as the control II animals demonstrated significantly higher level of total antioxidant status (TAS), comparing to the control I animals and those treated with Ca-AKG. Thiobarbituric acid reactive substances (TBARS) level in blood plasma was found significantly lower in young and Ca-AKG treated mice. TBARS liver concentration was significantly different in each examined group. The study also demonstrates the decrease in TBARS level in Ca-AKG treated animals. Treatment with Na-AKG significantly increased glutathione peroxidase activity and decreased the activity of superoxide dismutase. The presented results suggest that Ca-AKG protects the organism against the free radicals related elderly processes. The study presents also the effect of Ca-AKG treatment on arterial elastic characteristics in elderly mice. The beneficial effect of Ca-AKG on ageing organisms was confirmed via redox state stabilization and blood vessel elasticity improvement.
Fitting phase shifts to electron-ion elastic scattering measurements
International Nuclear Information System (INIS)
Per, M.C.; Dickinson, A.S.
2000-01-01
We have derived non-Coulomb phase shifts from measured differential cross sections for electron scattering by the ions Na + , Cs + , N 3+ , Ar 8+ and Xe 6+ at energies below the inelastic threshold. Values of the scaled squared deviation between the observed and fitted differential cross sections, χ 2 , for the best-fit phase shifts were typically in the range 3-6 per degree of freedom. Generally good agreement with experiment is obtained, except for wide-angle scattering by Ar 8+ and Xe 6+ . Current measurements do not define phase shifts to better than approx. 0.1 rad even in the most favourable circumstances and uncertainties can be much larger. (author)
Exchange current contributions to quasi-elastic electron scattering
International Nuclear Information System (INIS)
Conte, J.S. Jr.
1981-01-01
Because electromagnetic interactions are weak and well understood, inelastic electron scattering has been very useful in elucidating aspects of nuclear structure. In the region of large electron energy loss, an extremely simple reaction picture (quasi-free knockout of a single nucleon or electroproduction of an isobar) and a simple nuclear model (Fermi gas) have provided both a good fit to experimental data and a dynamical determination of the nuclear Fermi momentum (k/sub F/). However, there exists an anomalous region where this picture fails. Two body correlations have not seemed to help give any better agreement. We have investigated the following questions: Do exchange current processes contribute importantly in this region. Do they help produce agreement with experiment. Also, how do they effect our previous picture of quasifree knockout. We calculate the effects of exchange currents in this region using the standard Feynman graph rules. We have included all important long range exchange currents: pair, pionic, and isobar exchange currents. We found it necessary to make non-relativistic reductions of these currents in order to facilitate calculations. The resulting multidimensional integrals were done using Monte Carlo techniques. All exchange currents which were investigated were found to be appreciable in the anomalous region, and also important in the quasi-free peak region. Inclusion of these amplitudes would supply all of the missing cross section in the anomalous region: however, it would destroy the agreement between theory and experiment in the region of the quasi-free nucleon peak, and thereby cast suspicion on the aforementioned dynamical determination of k/sub F/
International Nuclear Information System (INIS)
Manikandan, M.; Santhosh, M.; Rajeswarapalanichamy, R.
2016-01-01
Ab initio calculations are performed to investigate the structural stability, electronic structure and mechanical properties of actinide carbides AnC (An=U, Np) for three different crystal structures, namely NaCl, CsCl and ZnS. Among the considered structures, NaCl structure is found to be the most stable structure for these carbides at normal pressure. A pressure induced structural phase transition from NaCl to ZnS is observed. The electronic structure reveals that these carbides are metals. The calculated elastic constants indicate that these carbides are mechanically stable at normal pressure.
Geometric method for stability of non-linear elastic thin shells
Ivanova, Jordanka
2002-01-01
PREFACE This book deals with the new developments and applications of the geometric method to the nonlinear stability problem for thin non-elastic shells. There are no other published books on this subject except the basic ones of A. V. Pogorelov (1966,1967,1986), where variational principles defined over isometric surfaces, are postulated, and applied mainly to static and dynamic problems of elastic isotropic thin shells. A. V. Pogorelov (Harkov, Ukraine) was the first to provide in his monographs the geometric construction of the deformed shell surface in a post-critical stage and deriving explicitely the asymptotic formulas for the upper and lower critical loads. In most cases, these formulas were presented in a closed analytical form, and confirmed by experimental data. The geometric method by Pogorelov is one of the most important analytical methods developed during the last century. Its power consists in its ability to provide a clear geometric picture of the postcritical form of a deformed shell surfac...
Limão-Vieira, P.; Horie, M.; Kato, H.; Hoshino, M.; Blanco, F.; García, G.; Buckman, S. J.; Tanaka, H.
2011-12-01
We report absolute elastic differential, integral and momentum transfer cross sections for electron interactions with CCl4. The incident electron energy range is 1.5-100 eV, and the scattered electron angular range for the differential measurements varies from 15°-130°. The absolute scale of the differential cross section was set using the relative flow technique with helium as the reference species. Comparison with previous total cross sections shows good agreement. Atomic-like behaviour in this scattering system is shown here for the first time, and is further investigated by comparing the CCl4 elastic cross sections to recent results on the halomethanes and atomic chlorine at higher impact energies [H. Kato, T. Asahina, H. Masui, M. Hoshino, H. Tanaka, H. Cho, O. Ingólfsson, F. Blanco, G. Garcia, S. J. Buckman, and M. J. Brunger, J. Chem. Phys. 132, 074309 (2010)], 10.1063/1.3319761.
Resonance estimates for single spin asymmetries in elastic electron-nucleon scattering
International Nuclear Information System (INIS)
Barbara Pasquini; Marc Vanderhaeghen
2004-01-01
We discuss the target and beam normal spin asymmetries in elastic electron-nucleon scattering which depend on the imaginary part of two-photon exchange processes between electron and nucleon. We express this imaginary part as a phase space integral over the doubly virtual Compton scattering tensor on the nucleon. We use unitarity to model the doubly virtual Compton scattering tensor in the resonance region in terms of γ* N → π N electroabsorption amplitudes. Taking those amplitudes from a phenomenological analysis of pion electroproduction observables, we present results for beam and target normal single spin asymmetries for elastic electron-nucleon scattering for beam energies below 1 GeV and in the 1-3 GeV region, where several experiments are performed or are in progress
Structural stability and electronic structure of YCu ductile ...
African Journals Online (AJOL)
We investigate the structural, elastic and electronic properties of cubic YCu intermetallic compound. Which crystallize in the CsCl- B2 type structure, the investigated using the first principle full potential linearized augmented plane wave method (FP-LAPW) within density functional Theory (DFT). We used generalized ...
Energy Technology Data Exchange (ETDEWEB)
Liu, Qi-Jun, E-mail: qijunliu@home.swjtu.edu.cn [School of Physical Science and Technology, Southwest Jiaotong University, Key Laboratory of Advanced Technologies of Materials, Ministry of Education of China, Chengdu 610031 (China); Bond and Band Engineering Group, Sichuan Provincial Key Laboratory (for Universities) of High Pressure Science and Technology, Southwest Jiaotong University, Chengdu 610031 (China); Qin, Han; Jiao, Zhen; Liu, Fu-Sheng [School of Physical Science and Technology, Southwest Jiaotong University, Key Laboratory of Advanced Technologies of Materials, Ministry of Education of China, Chengdu 610031 (China); Bond and Band Engineering Group, Sichuan Provincial Key Laboratory (for Universities) of High Pressure Science and Technology, Southwest Jiaotong University, Chengdu 610031 (China); Liu, Zheng-Tang [State Key Laboratory of Solidification Processing, Northwestern Polytechnical University, Xi’an 710072 (China)
2016-09-01
First-principles calculations of the structural, elastic, mechanical and electronic properties of ilmenite-type ZnSnO{sub 3} under pressure have been investigated in the present paper. Our calculated lattice constants at zero pressure are in agreement with the published theoretical and experimental data. The elastic constants at zero and high pressure have been obtained, which are used to discuss the mechanical stability of ilmenite-type ZnSnO{sub 3}. The mechanical properties such as bulk modulus, shear modulus, Young’s modulus and Poisson’s ratio under pressure have been studied. Electronic properties show that ilmenite-type ZnSnO{sub 3} is shown to be a direct bandgap of 1.063 (GGA-PW91)/3.977 (PBE0) eV. The bandgap increases with the increasing pressure. Moreover, the partial density of states has been analyzed to explain the increased bandgap. - Highlights: • Physical properties of ilmenite-type ZnSnO{sub 3} under pressure have been investigated. • Ilmenite-type ZnSnO{sub 3} behaves in a ductile manner. • Ilmenite-type ZnSnO{sub 3} is a direct bandgap compound with 3.977 eV. • Bandgap of Ilmenite-type ZnSnO{sub 3} increases with the increasing pressure.
Prediction study of structural, elastic and electronic properties of FeMP (M = Ti, Zr, Hf) compounds
Tanto, A.; Chihi, T.; Ghebouli, M. A.; Reffas, M.; Fatmi, M.; Ghebouli, B.
2018-06-01
First principles calculations are applied in the study of FeMP (M = Ti, Zr, Hf) compounds. We investigate the structural, elastic, mechanical and electronic properties by combining first-principles calculations with the CASTEP approach. For ideal polycrystalline FeMP (M = Ti, Zr, Hf) the shear modulus, Young's modulus, Poisson's ratio, elastic anisotropy indexes, Pugh's criterion, elastic wave velocities and Debye temperature are also calculated from the single crystal elastic constants. The shear anisotropic factors and anisotropy are obtained from the single crystal elastic constants. The Debye temperature is calculated from the average elastic wave velocity obtained from shear and bulk modulus as well as the integration of elastic wave velocities in different directions of the single crystal.
International Nuclear Information System (INIS)
Gomez, M.P.; McMeeking, R.M.; Parks, D.M.
1980-06-01
Contributions were made toward developing a new methodology to assess the stability of cracks in pressure vessels made from materials that exhibit a significant increase in toughness during the early increments of crack growth. It has a wide range of validity from linear elastic to fully plastic behavior
Chu, Chunlei; Stoffa, Paul L.; Seif, Roustam
2009-01-01
We present two Lax‐Wendroff type high‐order time stepping schemes and apply them to solving the 3D elastic wave equation. The proposed schemes have the same format as the Taylor series expansion based schemes, only with modified temporal extrapolation coefficients. We demonstrate by both theoretical analysis and numerical examples that the modified schemes significantly improve the stability conditions.
Effects of external field on elastic electron-ion collision in a plasma
International Nuclear Information System (INIS)
Na, Sang-Chul; Jung, Young-Dae
2008-01-01
The field effects on elastic electron-ion collision are investigated in a plasma with the presence of the external field. The eikonal method and effective interaction potential including the far-field term caused by the external field is employed to obtain the eikonal phase shift and eikonal cross section as functions of the field strength, external frequency, impact parameter, collision energy, thermal energy and Debye length. The result shows that the effect of the external field on the eikonal cross section is given by the second-order eikonal phase. In addition, the external field effects suppress the eikonal cross section as well as eikonal phase for the elastic electron-ion collision. The eikonal phase and cross section are found to be increased with an increase of the frequency of the external field. It is also shown that the eikonal cross section increases with an increase of the thermal energy and Debye length.
Transverse Beam Spin Asymmetries in Forward-Angle Elastic Electron-Proton Scattering
Energy Technology Data Exchange (ETDEWEB)
David Armstrong; Francois Arvieux; Razmik Asaturyan; Todd Averett; Stephanie Bailey; Guillaume Batigne; Douglas Beck; Elizabeth Beise; Jay Benesch; Louis Bimbot; James Birchall; Angela Biselli; Peter Bosted; Elodie Boukobza; Herbert Breuer; Roger Carlini; Robert Carr; Nicholas Chant; Yu-Chiu Chao; Swapan Chattopadhyay; Russell Clark; Silviu Covrig; Anthony Cowley; Daniel Dale; Charles Davis; Willie Falk; John Finn; Tony Forest; Gregg Franklin; Christophe Furget; David Gaskell; Joseph Grames; Keith Griffioen; Klaus Grimm; Benoit Guillon; Hayko Guler; Lars Hannelius; Richard HASTY; Alice Hawthorne Allen; Tanja Horn; Kathleen Johnston; Mark Jones; Peter Kammel; Reza Kazimi; Paul King; Ameya Kolarkar; Elie Korkmaz; Wolfgang Korsch; Serge Kox; Joachim Kuhn; Jeff Lachniet; Lawrence Lee; Jason Lenoble; Eric Liatard; Jianglai Liu; Berenice Loupias; Allison Lung; Dominique Marchand; Jeffery Martin; Kenneth McFarlane; David McKee; Robert McKeown; Fernand Merchez; Hamlet Mkrtchyan; Bryan Moffit; M. Morlet; Itaru Nakagawa; Kazutaka Nakahara; Retief Neveling; Silvia Niccolai; S. Ong; Shelley Page; Vassilios Papavassiliou; Stephen Pate; Sarah Phillips; Mark Pitt; Benard Poelker; Tracy Porcelli; Gilles Quemener; Brian Quinn; William Ramsay; Aamer Rauf; Jean-Sebastien Real; Julie Roche; Philip Roos; Gary Rutledge; Jeffery Secrest; Neven Simicevic; Gregory Smith; Damon Spayde; Samuel Stepanyan; Marcy Stutzman; Vince Sulkosky; Vincent Sulkosky; Vince Sulkosky; Vincent Sulkosky; Vardan Tadevosyan; Raphael Tieulent; Jacques Van de Wiele; Willem van Oers; Eric Voutier; William Vulcan; Glen Warren; Steven Wells; Steven Williamson; Stephen Wood; Chen Yan; Junho Yun; Valdis Zeps
2007-08-01
We have measured the beam-normal single-spin asymmetry in elastic scattering of transversely-polarized 3 GeV electrons from unpolarized protons at Q^2 values of 0.15 and 0.25 (GeV/c)^2 with results of A_n = -4.06 +- 0.99(stat) +- 0.63(syst) and A_n = -4.82 +- 1.87(stat) +- 0.98(syst) ppm. These results are inconsistent with calculations solely using the elastic nucleon intermediate state, and generally agree with calculations with significant inelastic hadronic intermediate state contributions. A_n provides a direct probe of the imaginary component of the two-photon exchange amplitude, the complete description of which is important in the interpretation of data from precision electron-scattering experiments.
Electronic structure and elasticity of Z-phases in the Cr–Nb–V–N system
Czech Academy of Sciences Publication Activity Database
Legut, D.; Pavlů, Jana
2012-01-01
Roč. 24, č. 19 (2012), s. 195502-195509 ISSN 0953-8984 R&D Projects: GA ČR(CZ) GAP108/10/1908; GA MŠk(CZ) ED1.1.00/02.0068 Institutional research plan: CEZ:AV0Z20410507 Keywords : ab initio calculations * Z-phase * Cr-Nb-V-N * electronic structure * elasticity Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 2.355, year: 2012
Energy Technology Data Exchange (ETDEWEB)
Ciftci, Yasemin Oe. [Gazi University Teknikokullar, Department of Physics, Faculty of Sciences, Ankara (Turkey); Evecen, Meryem; Aldirmaz, Emine [Amasya University, Department of Physics, Faculty of Arts and Sciences, Amasya (Turkey)
2017-01-15
First-principles calculations for the structural, elastic, electronic and vibrational properties of BeGeAs{sub 2} with chalcopyrite structure have been reported in the frame work of the density functional theory. The calculated ground state properties are in good agreement with the available data. By considering the electronic band structure and electronic density of states calculation, it is found that this compound is a semiconductor which confirmed the previous work. Single-crystal elastic constants and related properties such as Young's modulus, Poisson ratio, shear modulus and bulk modulus have been predicted using the stress-finite strain technique. It can be seen from the calculated elastic constants that this compound is mechanically stable in the chalcopyrite structure. Pressure dependences of elastic constants and band gap are also reported. Finally, the phonon dispersion curves and total and partial density of states were calculated and discussed. The calculated phonon frequencies BeGeAs{sub 2} are positive, indicating the dynamical stability of the studied compound. (orig.)
International Nuclear Information System (INIS)
Fink, M.; Ross, A.W.; Fink, R.J.
1989-01-01
Elastic differential cross sections and spin polarizations for electrons elastically scattered from CH 3 I are calculated using the independent atom model. Three molecular orientations with respect to the incident electron wavevector are considered - first, the molecule is oriented randomly, second, the electron wave front and molecular bond are parallel, and third, the wavefront and the bond axis are perpendicular. It will be seen to what extent orientational averaging weakens features of the cross section and spin polarization. The calculations show that cross section and spin polarization measurements are a possible tool for determining the degree of molecular orientation. There is no degeneracy between I-C and C-I in cross section and spin polarization measurements. The results presented here for 200 eV and 600 eV electrons scattered by CH 3 I should be considered as a case study and it should be possible to find molecules and electron energies for which even more dramatic differences between the various orientations between the molecules and the electrons can be expected. (orig.)
Precise measurement in elastic electron scattering: HAPPEX and E-158 experiments
International Nuclear Information System (INIS)
Vacheret, A.
2004-12-01
Parity Violation asymmetry measurements in elastic electron scattering are in one hand an interesting way of retrieving new informations about the sea quarks of the nucleon and in the other hand a powerful test of the Standard Model electroweak sector at low energy. This thesis describes the HAPPEX experiment at JLab and the E-158 experiment at SLAC (USA) which measure de parity violation asymmetries in elastic scattering of polarized electron on nuclei like Hydrogen or Helium and on atomic electrons. With the measurements on hadronic targets one can extract the strange quarks contribution to the charge and current density of the nucleon. With the electron-electron scattering one can test the standard model at the loop level and far from the Z pole by extracting sin 2 θ W . In this thesis we describe the formalism associated with the electroweak probe. We present in detail the experimental methods used to make such precise measurements of parity violation asymmetry. Then, we describe the experimental set-up of each experiment and in particular the electron detector and the feedback loop on the beam current for the HAPPEX experiment and the analysis of E-158 run III with a dedicated systematic study on the beam sub-pulse fluctuations. We present the preliminary results for each experiment with a comparison with the other existing results and the future experiments. (author)
Differential cross sections for elastic scattering of electrons by atoms and solids
International Nuclear Information System (INIS)
Jablonski, A.; Salvat, F.; Powell, C.J.
2004-01-01
Differential cross sections (DCSs) for elastic scattering of electrons by neutral atoms are extensively used in studies of electron transport in solids and liquids. A new NIST database has recently been released with DCSs calculated from a relativistic Dirac partial-wave analysis in which the potentials were obtained from Dirac-Hartree-Fock electron densities computed self-consistently for free atoms. We have compared calculated DCSs with measured DCSs for argon for electron energies between 50 eV and 3 keV, and found good agreement for electron energies above about 1 keV but with increasing deviations as the energy is reduced. These deviations are due to the neglect of absorption and polarizability effects in the calculations. Nevertheless, DCSs for neutral atoms have been successfully used in simulations of elastic backscattering of electrons by solid surfaces with energies down to 300 eV as well as for many other applications. It is suggested that this success might be due at least partially to the smaller absorption correction for the DCSs in solids on account of the smaller total inelastic scattering cross sections than for the corresponding free atoms
Total and elastic electron scattering cross sections from Xe at intermediate and high energies
International Nuclear Information System (INIS)
Garcia, G; Pablos, J L de; Blanco, F; Williart, A
2002-01-01
Experimental total electron scattering cross sections from Xe in the energy range 300-5000 eV have been obtained with experimental errors of about 3%. The method was based on the measurement of the attenuation of a linear electron beam through a Xe gas cell in combination with an electron spectroscopy technique to analyse the energy of the transmitted electrons. Differential and integral elastic cross sections have been calculated using a scattering potential method which includes relativistic effects. The consistency of our theoretical and experimental results is also discussed in the paper. Finally, analytical formulae depending on two parameters, namely the number of target electrons and the atomic polarizability, are given to reproduce the experimental data for Ne, Ar, Kr and Xe in the energy range 500-10 000 eV
Energy Technology Data Exchange (ETDEWEB)
Sajjad, M. [School of Electronic Engineering, Beijing University of Posts and Telecommunications, Beijing 100876 (China); Alay-e-Abbas, S.M. [Department of Physics, University of Sargodha, Sargodha 40100 (Pakistan); Department of Physics, Government College University, Faisalabad, Allama Iqbal Road, Faisalabad 38000 (Pakistan); Zhang, H.X. [School of Electronic Engineering, Beijing University of Posts and Telecommunications, Beijing 100876 (China); Beijing Key Laboratory of Work Safety Intelligent Monitoring (Beijing University of Posts and Telecommunications), Beijing 100876 (China); Noor, N.A. [Centre for High Energy Physics, University of the Punjab, Quaid-e-Azam Campus, 54590 Lahore (Pakistan); Saeed, Y. [Department of Physics, Government College University, Faisalabad, Allama Iqbal Road, Faisalabad 38000 (Pakistan); Shakir, Imran [Deanship of scientific research, College of Engineering, King Saud University, P. O. BOX 800, Riyadh 11421 (Saudi Arabia); Shaukat, A., E-mail: schaukat@gmail.com [Department of Physics, University of Sargodha, Sargodha 40100 (Pakistan)
2015-09-15
We investigate zinc-blende phase Al{sub 0.75}Mn{sub 0.25}Y (Y=N, P, As) compounds using full-potential linear-augmented-plane wave plus local-orbital method. For computing structural and elastic properties the Generalized Gradient Approximation (GGA) has been used; whereas the electronic and magnetic properties are examined at the optimized GGA lattice parameters by employing modified Becke and Johnson local density approximation. All these compounds are found to be stable in ferromagnetic ordering in the zinc-blende structure which is supported by the computed elastic constants. The nature of electronic band structure are calculated and the nature of band gaps in the doped system is analyzed. The results are examined to identify exchange mechanism which is the main source of introducing ferromagnetism in the compounds under investigation. Spin charge density contour plots in the (1 1 0) plane and the evaluation of s–p and p–d exchange constants (N{sub 0}α and N{sub 0}β) are evaluated for understanding bonding and exchange splitting process, respectively. - Highlights: • Spin-polarized DFT investigation Mn-doped AlN, AlP and AlAs is reported. • Structrual and elastic properites are computed for evaluating stability. • mBJLDA used for appropriate treatment of d states of Mn for electronic properties. • Half metallicity, ferromagnetic stability and exchange constants are evaluated.
Modifications of nucleons in nuclei in quasi-elastic electron-nucleus scattering
International Nuclear Information System (INIS)
Mulders, P.J.
1988-01-01
In inelastic electron scattering two scaling regions are observed in which the scattering is dominated by quasi-elastic scattering. For large momentum transfers, √Q 2 > 2 GeV/c, the scattering process is dominated by quasi-elastic scattering off quarks, whereas for √Q 2 ≅ 0.5 GeV/c the dominant contribution is quasi-elastic scattering off nucleons. This corresponds nicely to our first order picture of the nucleus consisting of nucleons, which in turn are composed of quarks. In the nucleon-scaling region, possible modifications of nucleon properties show up through a study of the Q 2 dependence and the relative strength of the transverse and longitudinal cross sections. Results of both inclusive (e,e') and exclusive (e,e'p) experiments in the quasi-elastic scattering region indeed show a behavior that could indicate modifications of intrinsic properties of individual nucleons in the nucleus, although the question remains if one has correctly disentangled the effects of the (long range) interactions between nucleons and those connected to the internal structure of nucleons. Even so, a simple (one-parameter) size rescaling for nucleons appears to be inconsistent with the data and also with some known conventional nuclear physics observables. Therefore the inclusion of two-nucleon correlations appears necessary in order to be able to understand the data. Such correlations can for instance be due to the effect of the Pauli principle on the quark level. (orig.)
International Nuclear Information System (INIS)
David Abbott; Abdellah Ahmidouch; Heinz Anklin; Francois Arvieux; Jacques Ball; Beedoe, S.; Elizabeth Beise; Louis Bimbot; Werner Boeglin; Herbert Breuer; Roger Carlini; Nicholas Chant; Samuel Danagoulian; Dow, K.; Jean-Eric Ducret; James Dunne; Lars Ewell; Laurent Eyraud; Christophe Furget; Michel Garcon; Ronald Gilman; Charles Glashausser; Paul Gueye; Kenneth Gustafsson; Kawtar Hafidi; Adrian Honegger; Juerg Jourdan; Serge Kox; Gerfried Kumbartzki; Lu, L.; Allison Lung; David Mack; Pete Markowitz; Justin McIntyre; David Meekins; Fernand Merchez; Joseph Mitchell; Mohring, R.; Sekazi Mtingwa; Hamlet Mkrtchyan; David Pitz; Liming Qin; Ronald Ransome; Jean-Sebastien Real; Philip Roos; Paul Rutt; Reyad Sawafta; Samuel Stepanyan; Raphael Tieulent; Egle Tomasi-Gustafsson; William Turchinetz; Kelley Vansyoc; Jochen Volmer; Eric Voutier; William Vulcan; Claude Williamson; Stephen Wood; Chen Yan; Jie Zhao; Wenxia Zhao
2000-01-01
Tensor polarization observables (t20, t21 and t22) have been measured in elastic electron-deuteron scattering for six values of momentum transfer between 0.66 and 1.7 (GeV/c) 2 . The experiment was performed at the Jefferson Laboratory in Hall C using the electron HMS Spectrometer, a specially designed deuteron magnetic channel and the recoil deuteron polarimeter POLDER. The new data determine to much larger Q 2 the deuteron charge form factors G C and G Q . They are in good agreement with relativistic calculations and disagree with pQCD predictions
DEFF Research Database (Denmark)
Schwartz, Kristoffer; Rodrigo, Maria; Jensen, Thomas
2016-01-01
OBJECTIVES: The aim of the present study was to assess the skeletal stability after large mandibular advancement (> 10 mm) with bilateral sagittal split osteotomy and skeletal elastic intermaxillary fixation and to correlate the skeletal stability with the vertical facial type. MATERIAL AND METHODS......: A total of 33 consecutive patients underwent bimaxillary surgery to correct skeletal Class II malocclusion with a mandibular advancement (> 10 mm) measured at B-point and postoperative skeletal elastic intermaxillary fixation for 16 weeks. Skeletal stability was evaluated using lateral cephalometric...... radiographs obtained preoperative (T1), 8 weeks postoperatively (T2), and 18 month postoperatively (T3). B-point and pogonion (Pog) was used to measure the skeletal relapse and the mandibular plane angle (MP-angle) was used to determine the vertical facial type. RESULTS: The mean advancement from T1 to T2...
Energy Technology Data Exchange (ETDEWEB)
Cochrane, Alexander P. [Aerospace Engineering Department, University of Glasgow, University Avenue, Glasgow, Lanarkshire (United Kingdom); Merrett, Craig G. [Mechanical and Aerospace Engineering Department, Carleton Univ., 1125 Col. By Dr., Ottawa, ON (Canada); Hilton, Harry H. [Aerospace Engineering Department in the College of Engineering and Private Sector Program Division at the National Center for Supercomputing Applications, University of Illinois at Urbana-Champaign, 104 South Wright Street, Urbana, IL 61801 (United States)
2014-12-10
The advent of new structural concepts employing composites in primary load carrying aerospace structures in UAVs, MAVs, Boeing 787s, Airbus A380s, etc., necessitates the inclusion of flexibility as well as viscoelasticity in static structural and aero-viscoelastic analyses. Differences and similarities between aeroelasticity and aero-viscoelasticity have been investigated in [2]. An investigation is undertaken as to the dependence and sensitivity of aerodynamic and stability derivatives to elastic and viscoelastic structural flexibility and as to time dependent flight and maneuver velocities. Longitudinal, lateral and directional stabilities are investigated. It has been a well established fact that elastic lifting surfaces are subject to loss of control effectiveness and control reversal at certain flight speeds, which depend on aerodynamic, structural and material properties [5]. Such elastic analyses are extended to linear viscoelastic materials under quasi-static, dynamic, and sudden and gradual loading conditions. In elastic wings one of the critical static parameters is the velocity at which control reversal takes place (V{sub REV}{sup E}). Since elastic formulations constitute viscoelastic initial conditions, viscoelastic reversal may occur at speeds V{sub REV<}{sup ≧}V{sub REV}{sup E}, but furthermore does so in time at 0 < t{sub REV} ≤ ∞. The influence of the twin effects of viscoelastic and elastic materials and of variable flight velocities on longitudinal, lateral, directional and spin stabilities are also investigated. It has been a well established fact that elastic lifting surfaces are subject to loss of control effectiveness and control reversal at certain flight speeds, which depend on aerodynamic, structural and material properties [5]. Such elastic analyses are here extended to linear viscoelastic materials under quasi-static, dynamic, and sudden and gradual loading conditions. In elastic wings the critical parameter is the velocity at
International Nuclear Information System (INIS)
Cochrane, Alexander P.; Merrett, Craig G.; Hilton, Harry H.
2014-01-01
The advent of new structural concepts employing composites in primary load carrying aerospace structures in UAVs, MAVs, Boeing 787s, Airbus A380s, etc., necessitates the inclusion of flexibility as well as viscoelasticity in static structural and aero-viscoelastic analyses. Differences and similarities between aeroelasticity and aero-viscoelasticity have been investigated in [2]. An investigation is undertaken as to the dependence and sensitivity of aerodynamic and stability derivatives to elastic and viscoelastic structural flexibility and as to time dependent flight and maneuver velocities. Longitudinal, lateral and directional stabilities are investigated. It has been a well established fact that elastic lifting surfaces are subject to loss of control effectiveness and control reversal at certain flight speeds, which depend on aerodynamic, structural and material properties [5]. Such elastic analyses are extended to linear viscoelastic materials under quasi-static, dynamic, and sudden and gradual loading conditions. In elastic wings one of the critical static parameters is the velocity at which control reversal takes place (V REV E ). Since elastic formulations constitute viscoelastic initial conditions, viscoelastic reversal may occur at speeds V REV< ≧ V REV E , but furthermore does so in time at 0 < t REV ≤ ∞. The influence of the twin effects of viscoelastic and elastic materials and of variable flight velocities on longitudinal, lateral, directional and spin stabilities are also investigated. It has been a well established fact that elastic lifting surfaces are subject to loss of control effectiveness and control reversal at certain flight speeds, which depend on aerodynamic, structural and material properties [5]. Such elastic analyses are here extended to linear viscoelastic materials under quasi-static, dynamic, and sudden and gradual loading conditions. In elastic wings the critical parameter is the velocity at which control reversal takes place
Using elastic peak electron spectroscopy for enhanced depth resolution in sputter profiling
International Nuclear Information System (INIS)
Hofmann, S.; Kesler, V.
2002-01-01
Elastic peak electron spectroscopy (EPES) is an alternative to AES in sputter depth profiling of thin film structures. In contrast to AES, EPES depth profiling is not influenced by chemical effects. The high count rate ensures a good signal to noise ratio, that is lower measurement times and/or higher precision. In addition, because of the elastically scattered electrons travel twice through the sample, the effective escape depth is reduced, an important factor for the depth resolution function. Thus, the depth resolution is increased. EPES depth profiling was successfully applied to a Ge/Si multilayer structure. For an elastic peak energy of 1.0 keV the information depth is considerably lower (0.8 nm) as compared to the Ge (LMM, 1147 eV) peak (1.6 nm) used in AES depth profiling, resulting in a respectively improved depth resolution for EPES profiling under otherwise similar profiling conditions. EPES depth profiling is successfully applied to measure small diffusion lengths at Ge/Si interfaces of the order of 1 nm. (Authors)
Energy Technology Data Exchange (ETDEWEB)
Khurgin, Jacob B., E-mail: jakek@jhu.edu [Department of Electrical and Computer Engineering, Johns Hopkins University, Baltimore, Maryland 21218 (United States); Bajaj, Sanyam; Rajan, Siddharth [Department of Electrical and Computer Engineering, The Ohio State University, Columbus, Ohio 43210 (United States)
2015-12-28
Longitudinal optical (LO) phonons in GaN generated in the channel of high electron mobility transistors (HEMT) are shown to undergo nearly elastic scattering via collisions with hot electrons. The net result of these collisions is the diffusion of LO phonons in the Brillouin zone causing reduction of phonon and electron temperatures. This previously unexplored diffusion mechanism explicates how an increase in electron density causes reduction of the apparent lifetime of LO phonons, obtained from the time resolved Raman studies and microwave noise measurements, while the actual decay rate of the LO phonons remains unaffected by the carrier density. Therefore, the saturation velocity in GaN HEMT steadily declines with increased carrier density, in a qualitative agreement with experimental results.
International Nuclear Information System (INIS)
Sheikin, E G
2010-01-01
The effective differential cross section (DCS) for elastic scattering of electrons by atoms is proposed that reproduces known energy dependences for the first and second transport cross sections but provides a total elastic cross section that is significantly small compared with the known energy dependences. The number of elastic collisions of electrons in matter when using the effective DCS in Monte Carlo simulations is significantly lower than that when using the real DCS. The results of our Monte Carlo simulation of electron propagation in aluminium using the proposed DCS are in good agreement with experimental data.
Čenčariková, Hana; Legut, Dominik
2018-05-01
The phase stability of the various crystalline structures of the super-heavy element Copernicium was determined based on the first-principles calculations with different levels of the relativistic effects. We utilized the Darwin term, mass-velocity, and spin-orbit interaction with the single electron framework of the density functional theory while treating the exchange and correlation effects using local density approximations. It is found that the spin-orbit coupling is the key component to stabilize the body-centered cubic (bcc) structure over the hexagonal closed packed (hcp) structure, which is in accord with Sol. Stat. Comm. 152 (2012) 530, but in contrast to Atta-Fynn and Ray (2015) [11], Gaston et al. (2007) [10], Papaconstantopoulos (2015) [9]. It seems that the main role here is the correct description of the semi-core relativistic 6p1/2 orbitals. The all other investigated structures, i.e. face-centered cubic (fcc) , simple cubic (sc) as well as rhombohedral (rh) structures are higher in energy. The criteria of mechanical stability were investigated based on the calculated elastic constants, identifying the phase instability of fcc and rh structures, but surprisingly confirm the stability of the energetically higher sc structure. In addition, the pressure-induced structural transition between two stable sc and bcc phases has been detected. The ground-state bcc structure exhibits the highest elastic anisotropy from single elements of the Periodic table. At last, we support the experimental findings that Copernicium is a metal.
Energy Technology Data Exchange (ETDEWEB)
Lim, Jung Ryoul; Park, Jai Koo [Hanyang University, Seoul (Korea, Republic of)
1996-04-30
The relationship between foam stability and surface elasticity by the thickness change of liquid film was investigated. Foam stability was measured by draining liquid volume and decreasing gas volume as a function of time. Foam was formed by the fixed gas-injection the surfactant aqueous solution of different concentration. The used surfactants were sodium lauryl sulfate, hexadecane sulfonic acid sodium salt, and octane sulfonic acid sodium salt. Thickness of liquid film was estimated by using the volume ratio of liquid to gas in foam and surface elasticity of lamella was calculated by the surface tension and adsorbed amount. The thinning of liquid film is due to the combined effects of gravity and capillary suction, it would be ruptured at the minimum of lamella thickness which is called critical thickness. The lamella thickness of bubble which was formed at CMC(critical micelle concentration) was very thin. In the case of sodium lauryl sulfate, the thinning of lamella was continued in the range of measurement. The critical thicknesses of octane sulfonic acid sodium salt solution, hexadecane sulfonic acid sodium salt solution were determined to 0.479{approx}0.316, 0.209{approx}0.200 {mu}m, respectively. It was found that the tendency for foam stability was similar to that of lamella thickness. It was considered that foam which was formed at CMC has very high stability, and the order of foam stability for surfactant aqueous solution was sodium lauryl sulfate > hexadecane sulfonic acid sodium salt > octane sulfonic acid sodium salt. These results was considered that the lamella-rupturing was retarded by the relatively high surface elasticity of lamella. The saturated adsorption of surfactant was determined to 3.25{approx}3.04 * 10{sup -6} mol/m{sup 2} and the surface elasticity of lamella was also determined to 3{approx}56 mN/m. (author). 19 refs., 1 tab., 11 figs.
Nazarov, Vladimir U.; Silkin, Vyacheslav M.; Krasovskii, Eugene E.
2017-12-01
Inelastic scattering of the medium-energy (˜10 -100 eV) electrons underlies the method of the high-resolution electron energy-loss spectroscopy (HREELS), which has been successfully used for decades to characterize pure and adsorbate-covered surfaces of solids. With the emergence of graphene and other quasi-two-dimensional (Q2D) crystals, HREELS could be expected to become the major experimental tool to study this class of materials. We, however, identify a critical flaw in the theoretical picture of the HREELS of Q2D crystals in the context of the inelastic scattering only ("energy-loss functions" formalism), in contrast to its justifiable use for bulk solids and surfaces. The shortcoming is the neglect of the elastic scattering, which we show is inseparable from the inelastic one, and which, affecting the spectra dramatically, must be taken into account for the meaningful interpretation of the experiment. With this motivation, using the time-dependent density functional theory for excitations, we build a theory of the simultaneous inelastic and elastic electron scattering at Q2D crystals. We apply this theory to HREELS of graphene, revealing an effect of the strongly coupled excitation of the π +σ plasmon and elastic diffraction resonances. Our results open a path to the theoretically interpretable study of the excitation processes in crystalline mesoscopic materials by means of HREELS, with its supreme resolution on the meV energy scale, which is far beyond the capacity of the now overwhelmingly used EELS in transmission electron microscopy.
Electron-hole drop (EHD) stability in deformation potential well
International Nuclear Information System (INIS)
Makarov, A.G.; Tikhodeev, S.G.
1984-01-01
In heterogeneously-deformed Ge the stability of electron-hole droplets (EHD) being in a potential well is considered. It is shown that the potential well effect is equivalent to the decrease of effective density of phonon EHD charge. It is pointed out that heating EHD (for example, by IR radiation), can increase the phonon droplet charge and affect its stability
Nixon, Mark W.
1993-01-01
There is a potential for improving the performance and aeroelastic stability of tiltrotors through the use of elastically-coupled composite rotor blades. To study the characteristics of tiltrotors with these types of rotor blades it is necessary to formulate a new analysis which has the capabilities of modeling both a tiltrotor configuration and an anisotropic rotor blade. Background for these formulations is established in two preliminary investigations. In the first, the influence of several system design parameters on tiltrotor aeroelastic stability is examined for the high-speed axial flight mode using a newly-developed rigid-blade analysis with an elastic wing finite element model. The second preliminary investigation addresses the accuracy of using a one-dimensional beam analysis to predict frequencies of elastically-coupled highly-twisted rotor blades. Important aspects of the new aeroelastic formulations are the inclusion of a large steady pylon angle which controls tilt of the rotor system with respect to the airflow, the inclusion of elastic pitch-lag coupling terms related to rotor precone, the inclusion of hub-related degrees of freedom which enable modeling of a gimballed rotor system and engine drive-train dynamics, and additional elastic coupling terms which enable modeling of the anisotropic features for both the rotor blades and the tiltrotor wing. Accuracy of the new tiltrotor analysis is demonstrated by a comparison of the results produced for a baseline case with analytical and experimental results reported in the open literature. Two investigations of elastically tailored blades on a baseline tiltrotor are then conducted. One investigation shows that elastic bending-twist coupling of the rotor blade is a very effective means for increasing the flutter velocity of a tiltrotor, and the magnitude of coupling required does not have an adverse effect on performance or blade loads. The second investigation shows that passive blade twist control via
International Nuclear Information System (INIS)
Mann, A.K.
1986-01-01
This talk is intended as a brief report on studies of the elastic scattering of neutrinos by protons and electrons. Measurements of the ratios of muon antineutrino and muon neutrino elastic scattering on protons, and the corresponding ratio for elastic scattering on electrons minimize systematic experimental errors, and lead directly to values of the fundamental parameter of the electroweak interaction, the Weinberg Angle, with minimal ambiguity. Accordingly, the principal motivation in carrying out these studies was the desire to obtain and compare precise values of the Weinberg Angle from both the semileptonic and leptonic reactions as still another test of the basic validity of the standard electroweak theory. 10 refs., 11 figs
Energy Technology Data Exchange (ETDEWEB)
Hunold, Oliver
2017-08-01
solids a dense B network, characterized by icosahedra-like bonding, provides the required electronic structure. Young's modulus values of amorphous T{sup '}{sub 0.75}Y{sub 0.75}B{sub 14} (a- T{sup '}{sub 0.75}Y{sub 0.75}B{sub 14}, T{sup '} = Sc, Ti, V, Y, Zr, Nb) reach up to 393 GPa for a-Nb{sub 0.75}Y{sub 0.75}B{sub 14}. To critically appraise these predicted data experimentally, a-TiYB{sub 14} and a-ZrYB{sub 14} thin films were synthesized. Chemical composition analysis revealed the presence of high oxygen impurities. The measured Young's modulus values for a-TiYB{sub 14} (301±8 GPa) and a-ZrYB{sub 14} (306±9 GPa) were more than 20% smaller than the predicted ones but still comparable to other hard coatings. These deviations can be rationalized based on theoretical data revealing that the presence of oxygen impurities disrupts the dense 8 network causing a concomitant decrease in molar density and Young's modulus. This in turn highlights the possible usage of amorphous transition metal borides, which can even be synthesized at room temperature, exhibiting stiffness values of up to 82% compared to TiB{sub 2}. Therefore, as a first step towards applications, the suitability of a-AlYB{sub 14} as a coating for polymer forming was investigated. The influence of surface oxidation on the interaction between CH{sub 4} and a-AlYB{sub 14} has been studied theoretically by using OFT and experimentally by ultra-high vacuum - atomic force microscopy. Theory and experiments show the same trend as interaction increases for the oxidized scenario. Oxygen chemisorption induces changes in surface bonding leading to the higher interaction for the latter case. The data serve as proof of concept for the here implemented research strategy for exploring polymer - hard coating interactions in varying atmospheres based on cerrelative experimental and theoretical methods. The results of this work contribute to the understanding of the electronic structure-elasticity
Simulation studies on stability of hot electron plasma
International Nuclear Information System (INIS)
Ohsawa, Yukiharu
1985-01-01
Stability of a hot electron plasma in an NBT(EBT)-like geometry is studied by using a 2-1/2 dimensional relativistic, electromagnetic particle code. For the low-frequency hot electron interchange mode, comparison of the simulation results with the analytical predictions of linear stability theory show fairly good agreement with the magnitude of the growth rates calculated without hot electron finite Larmor radius effects. Strong stabilizing effects by finite Larmor radius of the hot electrons are observed for short wavelength modes. As for the high-frequency hot electron interchange mode, there is a discrepancy between the simulation results and the theory. The high-frequency instability is not observed though a parameter regime is chosen in which the high-frequency hot electron interchange mode is theoretically predicted to grow. Strong cross-field diffusion in a poloidal direction of the hot electrons might explain the stability. Each particle has a magnetic drift velocity, and the speed of the magnetic drift is proportional to the kinetic energy of each particle. Hence, if the particles have high temperature, the spread of the magnetic drift velocity is large. This causes a strong cross-field diffusion of the hot electrons. In the simulation for this interchange mode, an enhanced temperature relaxation is observed between the hot and cold electrons although the theoretically predicted high frequency modes are stable. (Nogami, K.)
Large Logarithms in the Beam Normal Spin Asymmetry of Elastic Electron--Proton Scattering
Energy Technology Data Exchange (ETDEWEB)
Andrei Afanasev; Mykola Merenkov
2004-06-01
We study a parity-conserving single-spin beam asymmetry of elastic electron-proton scattering induced by an absorptive part of the two-photon exchange amplitude. It is demonstrated that excitation of inelastic hadronic intermediate states by the consecutive exchange of two photons leads to logarithmic and double-logarithmic enhancement due to contributions of hard collinear quasi-real photons. The asymmetry at small electron scattering angles is expressed in terms of the total photoproduction cross section on the proton, and is predicted to reach the magnitude of 20-30 parts per million. At these conditions and fixed 4-momentum transfers, the asymmetry is rising logarithmically with increasing electron beam energy, following the high-energy diffractive behavior of total photoproduction cross section on the proton.
First-principles study of structural stability and elastic property of pre-perovskite PbTiO3
International Nuclear Information System (INIS)
Liu Yong; Ni Li-Hong; Ren Zhao-Hui; Xu Gang; Li Xiang; Song Chen-Lu; Han Gao-Rong
2012-01-01
The structural stability and the elastic properties of a novel structure of lead titanate, which is named pre- perovskite PbTiO 3 (PP-PTO) and is constructed with TiO 6 octahedral columns arranged in a one-dimensional manner, are investigated by using first-principles calculations. PP-PTO is energetically unstable compared with conventional perovskite phases, however it is mechanically stable. The equilibrium transition pressures for changing from pre- perovskite to cubic and tetragonal phases are −0.5 GPa and −1.4 GPa, respectively, with first-order characteristics. Further, the differences in elastic properties between pre-perovskite and conventional perovskite phases are discussed for the covalent bonding network, which shows a highly anisotropic character in PP-PTO. This study provides a crucial insight into the structural stabilities of PP-PTO and conventional perovskite. (condensed matter: structural, mechanical, and thermal properties)
International Nuclear Information System (INIS)
Jansen, R.H.J.; De Heer, F.J.; Luyken, H.J.; Van Wingerden, B.
1976-01-01
An electron spectrometer has been constructed for the study of elastic and inelastic electron scattering processes. Up to now the apparatus has been used to measure differential cross sections of electrons elastically scattered by He, Ne, Ar and N 2 . Direct absolute cross section measurements were performed on N 2 at 500 eV impact energy and at scattering angles between 5 0 and 9 0 . Relative cross section measurements were done on He, Ne, Ar and N 2 at impact energies between 100 and 3000 eV and scattering angles between 5 0 and 55 0 . The relative cross sections were put on an absolute scale by means of the apparatus calibration factor derived from the absolute measurements on N 2 . The experimental apparatus and procedure are described in detail. The results are discussed and compared with those of other experimental and theoretical groups. Analysis of the exponential behaviour of the differential cross section as a function of momentum transfer yielded apparent polarizabilities of the target. (author)
Electronic structure theory of alloy phase stability
International Nuclear Information System (INIS)
Turchi, P.E.A.; Sluiter, M.
1992-01-01
We present a brief overview of the advanced methodology which has been developed and applied to the study of phase stability properties in substitutional alloys. The approach is based on the real space version of the Generalized Perturbation Method within the Korringa-Kohn-Rostoker multiple scattering formulation of the Coherent Potential Approximation. Temperature effects are taken into account with a generalized meanfield approach, namely the Cluster Variation Method, or with Monte-Carlo simulations. We show that this approach is well suited for studying ground state properties of substitutional alloys, for calculating energies of idealized interfaces and antiphase boundaries, and finally to compute alloy phase diagrams
Electronic, elastic, acoustic and optical properties of cubic TiO2: A DFT approach
International Nuclear Information System (INIS)
Mahmood, Tariq; Cao, Chuanbao; Tahir, Muhammad; Idrees, Faryal; Ahmed, Maqsood; Tanveer, M.; Aslam, Imran; Usman, Zahid; Ali, Zulfiqar; Hussain, Sajad
2013-01-01
The electronic, elastic, acoustic and optical properties of cubic phases TiO 2 fluorite and pyrite are investigated using the first principles calculations. We have employed five different exchange–correlation functions within the local density and generalized gradient approximations using the ultrasoft plane wave pseudopotential method. The calculated band structures of cubic-TiO 2 elucidate that the TiO 2 fluorite and pyrite are direct and indirect semiconductors in contrast to the previous findings. From our studied properties such as bulk and shear moduli, elastic constants C 44 and Debye temperature for TiO 2 fluorite and pyrite, we infer that both the cubic phases are not superhard materials and the pyrite phase is harder than fluorite. The longitudinal and transversal acoustic wave speeds for both phases in the directions [100], [110] and [111] are determined using the pre-calculated elastic constants. In addition, we also calculate the optical properties such as dielectric function, absorption spectrum, refractive index and energy loss function using the pre-optimized structure. On the observation of optical properties TiO 2 fluorite phase turn out to be more photocatalytic than pyrite
Quantum mechanical study of elastic scattering and rotational excitation of CO by electrons
Onda, K.; Truhlar, D. G.
1980-01-01
Coupling calculations of differential, integral, and momentum transfer cross sections for pure elastic scattering and rotational excitation of CO by electron impact are reported. The calculations are based on a static charge distribution that has correct dipole and quadrupole moments, has cusps at the nuclei, and is augmented by an SCF treatment of charge polarization and a local approximation for exchange. The rotationally summed cross sections, with no adjustable parameters in the scattering calculation, are in reasonably good agreement with the experimental cross sections but are somewhat larger at small scattering angles.
Differential cross sections for the elastic scattering of intermediate energy electrons from sodium
International Nuclear Information System (INIS)
Teubner, P.J.O.; Buckner, S.J.; Noble, C.J.
1977-11-01
Differential cross sections for the elastic scattering of electrons from sodium have been measured with high angular resolution for incident energies of 54.4, 75, 100 and 150 eV and over an angular range of 12 0 to 140 0 . The experimental data are compared with calculations based on the First Born approximation, the Glauber approximation and a close coupling impact parameter calculation. Calculations have been carried out for an optical model using the prescription of Vanderpoorten for localizing the absorptive part of the potential. Of the theoretical calculations the optical model is found to best reproduce the general features of the cross section at all energies. (Author)
Measurements of electron-proton elastic cross sections for 0.4 2 2
International Nuclear Information System (INIS)
Christy, M.E.; Ahmidouch, Abdellah; Armstrong, Christopher; Arrington, John; Razmik Asaturyan; Steven Avery; Baker, O.; Douglas Beck; Henk Blok; Bochna, C.W.; Werner Boeglin; Peter Bosted; Maurice Bouwhuis; Herbert Breuer; Brown, D.S.; Antje Bruell; Roger Carlini; Nicholas Chant; Anthony Cochran; Leon Cole; Samuel Danagoulian; Donal Day; James Dunne; Dipangkar Dutta; Rolf Ent; Howard Fenker; Fox, B.; Liping Gan; Haiyan Gao; Kenneth Garrow; David Gaskell; Ashot Gasparian; Don Geesaman; Paul Gueye; Mark Harvey; Roy Holt; Xiaodong Jiang; Cynthia Keppel; Edward Kinney; Yongguang Liang; Wolfgang Lorenzon; Allison Lung; Pete Markowitz; Martin, J.W.; Kevin McIlhany; Daniella Mckee; David Meekins; Miller, J.W.; Richard Milner; Joseph Mitchell; Hamlet Mkrtchyan; Robert Mueller; Alan Nathan; Gabriel Niculescu; Maria-Ioana Niculescu; Thomas O'neill; Vassilios Papavassiliou; Stephen Pate; Buz Piercey; David Potterveld; Ronald Ransome; Joerg Reinhold; Rollinde, E.; Philip Roos; Adam Sarty; Reyad Sawafta; Elaine Schulte; Edwin Segbefia; Smith, C.; Stepan Stepanyan; Steffen Strauch; Vardan Tadevosyan; Liguang Tang; Raphael Tieulent; Alicia Uzzle; William Vulcan; Stephen Wood; Feng Xiong; Lulin Yuan; Markus Zeier; Benedikt Zihlmann; Vitaliy Ziskin
2004-01-01
We report on precision measurements of the elastic cross section for electron-proton scattering performed in Hall C at Jefferson Lab. The measurements were made at 28 unique kinematic settings covering a range in momentum transfer of 0.4 2 2 . These measurements represent a significant contribution to the world's cross section data set in the Q 2 range where a large discrepancy currently exists between the ratio of electric to magnetic proton form factors extracted from previous cross section measurements and that recently measured via polarization transfer in Hall A at Jefferson Lab
Parity Violation in Elastic Electron-Proton Scattering and the Proton's Strange Magnetic Form Factor
International Nuclear Information System (INIS)
Spayde, D. T.; Averett, T.; Barkhuff, D.; Beck, D. H.; Beise, E. J.; Benson, C.; Breuer, H.; Carr, R.; Covrig, S.; DelCorso, J.
2000-01-01
We report a new measurement of the parity-violating asymmetry in elastic electron scattering from the proton at backward scattering angles. This asymmetry is sensitive to the strange magnetic form factor of the proton as well as electroweak axial radiative corrections. The new measurement of A=-4.92±0.61±0.73 ppm provides a significant constraint on these quantities. The implications for the strange magnetic form factor are discussed in the context of theoretical estimates for the axial corrections. (c) 2000 The American Physical Society
Short Range Correlations in Nuclei at Large xbj through Inclusive Quasi-Elastic Electron Scattering
Energy Technology Data Exchange (ETDEWEB)
Ye, Zhihong [Univ. of Virginia, Charlottesville, VA (United States)
2013-12-01
The experiment, E08-014, in Hall-A at Jefferson Lab aims to study the short-range correlations (SRC) which are necessary to explain the nuclear strength absent in the mean field theory. The cross sections for 2H, 3He, 4He, 12C, 40Ca and 48Ca, were measured via inclusive quasi-elastic electron scattering from these nuclei in a Q2 range between 0.8 and 2.8 (GeV/c)^{2} for x>1. The cross section ratios of heavy nuclei to 2H were extracted to study two-nucleon SRC for 1
Khandy, Shakeel Ahmad; Gupta, Dinesh C.
2017-12-01
Ferromagnetic Heusler compounds have vast and imminent applications for novel devices, smart materials thanks to density functional theory (DFT) based simulations, which have scored out a new approach to study these materials. We forecast the structural stability of Co2TaZ alloys on the basis of total energy calculations and mechanical stability criteria. The elastic constants, robust spin-polarized ferromagnetism and electron densities in these half-metallic alloys are also discussed. The observed structural aspects calculated to predict the stability and equilibrium lattice parameters agree well with the experimental results. The elastic parameters like elastic constants, bulk, Young’s and shear moduli, poison’s and Pugh ratios, melting temperatures, etc have been put together to establish their mechanical properties. The elaborated electronic band structures along with indirect band gaps and spin polarization favour the application of these materials in spintronics and memory device technology.
Addressing preservation of elastic contrast in energy-filtered transmission electron microscopy
Energy Technology Data Exchange (ETDEWEB)
Brown, H.G.; D' Alfonso, A.J.; Forbes, B.D.; Allen, L.J., E-mail: lja@unimelb.edu.au
2016-01-15
Energy-filtered transmission electron microscopy (EFTEM) images with resolutions of the order of an Ångström can be obtained using modern microscopes corrected for chromatic aberration. However, the delocalized nature of the transition potentials for atomic ionization often confounds direct interpretation of EFTEM images, leading to what is known as “preservation of elastic contrast”. In this paper we demonstrate how more interpretable images might be obtained by scanning with a focused coherent probe and incoherently averaging the energy-filtered images over probe position. We dub this new imaging technique energy-filtered imaging scanning transmission electron microscopy (EFISTEM). We develop a theoretical framework for EFISTEM and show that it is in fact equivalent to precession EFTEM, where the plane wave illumination is precessed through a range of tilts spanning the same range of angles as the probe forming aperture in EFISTEM. It is demonstrated that EFISTEM delivers similar results to scanning transmission electron microscopy with an electron energy-loss spectrometer but has the advantage that it is immune to coherent aberrations and spatial incoherence of the probe and is also more resilient to scan distortions. - Highlights: • Interpretation of EFTEM images is complicated by preservation of elastic contrast. • More direct images obtained by scanning with a focused coherent probe and averaging. • This is equivalent to precession EFTEM through the solid angle defined by the probe. • Also yields similar results to energy-loss scanning transmission electron microscopy. • Scanning approach immune to probe aberrations and resilient to scan distortions.
A first principles study of the electronic structure, elastic and thermal properties of UB{sub 2}
Energy Technology Data Exchange (ETDEWEB)
Jossou, Ericmoore, E-mail: ericmoore.jossou@usask.ca [Department of Mechanical Engineering, College of Engineering, University of Saskatchewan, 57 Campus Drive, Saskatoon, S7N 5A9, Saskatchewan (Canada); Malakkal, Linu [Department of Mechanical Engineering, College of Engineering, University of Saskatchewan, 57 Campus Drive, Saskatoon, S7N 5A9, Saskatchewan (Canada); Szpunar, Barbara; Oladimeji, Dotun [Department of Physics and Engineering Physics, College of Art and Science, University of Saskatchewan, 116 Science Place, Saskatoon, S7N 5E2, Saskatchewan (Canada); Szpunar, Jerzy A. [Department of Mechanical Engineering, College of Engineering, University of Saskatchewan, 57 Campus Drive, Saskatoon, S7N 5A9, Saskatchewan (Canada)
2017-07-15
Uranium diboride (UB{sub 2}) has been widely deployed for refractory use and is a proposed material for Accident Tolerant Fuel (ATF) due to its high thermal conductivity. However, the applicability of UB{sub 2} towards high temperature usage in a nuclear reactor requires the need to investigate the thermomechanical properties, and recent studies have failed in highlighting applicable properties. In this work, we present an in-depth theoretical outlook of the structural and thermophysical properties of UB{sub 2}, including but not limited to elastic, electronic and thermal transport properties. These calculations were performed within the framework of Density Functional Theory (DFT) + U approach, using Quantum ESPRESSO (QE) code considering the addition of Coulomb correlations on the uranium atom. The phonon spectra and elastic constant analysis show the dynamic and mechanical stability of UB{sub 2} structure respectively. The electronic structure of UB{sub 2} was investigated using full potential linear augmented plane waves plus local orbitals method (FP-LAPW+lo) as implemented in WIEN2k code. The absence of a band gap in the total and partial density of states confirms the metallic nature while the valence electron density plot reveals the presence of covalent bond between adjacent B-B atoms. We predicted the lattice thermal conductivity (k{sub L}) by solving Boltzmann Transport Equation (BTE) using ShengBTE. The second order harmonic and third-order anharmonic interatomic force constants required as input to ShengBTE was calculated using the Density-functional perturbation theory (DFPT). However, we predicted the electronic thermal conductivity (k{sub el}) using Wiedemann-Franz law as implemented in Boltztrap code. We also show that the sound velocity along ‘a’ and ‘c’ axes exhibit high anisotropy, which accounts for the anisotropic thermal conductivity of UB{sub 2}. - Highlights: •Prediction of electronic structure and thermophysical properties of UB
Energy Technology Data Exchange (ETDEWEB)
Zhang, Yun; Wang, Zhe [Department of Physics, Xiangtan University, Xiangtan, 411105 Hunan (China); Cao, Juexian, E-mail: jxcao@xtu.edu.cn [Department of Physics, Xiangtan University, Xiangtan, 411105 Hunan (China); Beijing Computational Science Reasearch Center, 100084 Beijing (China)
2014-11-15
Using the first-principles full-potential linearized augmented plane-wave method, we investigated the stability, elastic and magnetostrictive properties of γ-Fe{sub 4}C and its derivatives. From the formation energy, we show that the most preferable configuration for MFe{sub 3}C (M=Pd, Pt, Rh, Ir) is that the M atom occupies the corner 1a position rather than 3c position. These derivatives are ductile due to high B/G values except for IrFe{sub 3}C. The calculated tetragonal magnetostrictive coefficient λ{sub 001} value for γ-Fe{sub 4}C is −380 ppm, which is larger than the value of Fe{sub 83}Ga{sub 17} (+207 ppm). Due to the strong SOC coupling strength constant (ξ) of Pt, the calculated λ{sub 001} of PtFe{sub 3}C is −691 ppm, which is increased by 80% compared to that of γ-Fe{sub 4}C. We demonstrate the origin of giant magnetostriction coefficient in terms of electronic structures and their responses to the tetragonal lattice distortion. - Highlights: • The most preferable site for M atom of MFe{sub 3}C (M=Pd, Pt, Rh, Ir) is the corner position. • The magnetostrictive coefficient for γ-Fe{sub 4}C is −380 ppm, larger than the value of Fe{sub 83}Ga{sub 17}. • The calculated λ{sub 001} of PtFe{sub 3}C is −691 ppm, which is increased by 80% compared to that of γ-Fe{sub 4}C.
Energy Technology Data Exchange (ETDEWEB)
Lishi, Ma; Yonghua, Duan, E-mail: duanyh@kmust.edu.cn; Runyue, Li
2017-02-15
The structural and mechanical properties, Debye temperatures and anisotropic sound velocities of the Laves phases Al{sub 2}M (M=Mg, Ca, Sr and Ba) with C14-type structure were investigated using the first-principles corresponding calculations. The corresponding calculated structural parameters and formation enthalpies are in good agreement with the available theoretical values, and Al{sub 2}Ca has the best phase stability. The mechanical properties, including elastic constants, bulk modulus B, shear modulus G, Young’s modulus E, and Poisson ratio ν, were deduced within the Voigt-Reuss-Hill approximation. The brittleness and ductility were estimated by the values of Poisson ratio, B/G and Cauchy pressure. Moreover, the elastic anisotropy was investigated by calculating and discussing several anisotropy indexes. Finally, the electronic structures were used to illustrate the bonding characteristics of C14-Al{sub 2}M (M=Mg, Ca, Sr and Ba) phases.
Directory of Open Access Journals (Sweden)
Chelli S.
2015-12-01
Full Text Available The structural, elastic, electronic and thermodynamic properties of BaxSr1−xS ternary alloys have been investigated using the full-potential (linearized augmented plane wave method. The ground state properties, such as lattice constant, bulk modulus and elastic constants, are in good agreement with numerous experimental and theoretical data. The dependence of the lattice parameters, bulk modulus and band gap on the composition x was analyzed. Deviation of the lattice constant from Vegard’s law and the bulk modulus from linear concentration dependence (LCD was observed. The microscopic origins of the gap bowing were explained by using the approach of Zunger et al. The thermodynamic stability of BaxSr1−xS alloy was investigated by calculating the excess enthalpy of mixing, ΔHm and the calculated phase diagram showed a broad miscibility gap with a critical temperature.
Li, Jun; Zhang, Song Bin; Ye, Bang Jiao; Wang, Jian Guo; Janev, R. K.
2017-09-01
Low-energy electron elastic scattering and impact ionization with hydrogenlike helium in Debye plasmas have been investigated by employing the exterior complex scaling method. The interactions between charged particles in the plasmas have been represented by Debye-Hückel potentials. The 1 s -1 s elastic collision strengths below the n =2 excitation threshold of He+ dominated by resonance structures are calculated for different screening lengths. As the screening strength increases, the resonance peaks studied [2(1,0) 2 +1Se,3Po,1De , and 2(0,1) 2 +1Po] exhibit blueshifts and then redshifts with a further increase of the screening strength, which results in dramatic changes of the collision strengths. It is found that these dynamic variation features of the resonances are related to the changes of energy levels of He+ in the screened potential and geometric configurations of resonances. Triple-differential-ionization cross sections in coplanar geometries at 6-Ry incident electron energy are also reported, significant changes are observed with varying screening length.
Cross section measurements of the elastic electron - deuteron scattering at MAMI
Energy Technology Data Exchange (ETDEWEB)
Kohl, Yvonne [Universitaet Mainz, Institut fuer Kernphysik (Germany); Collaboration: A1-Collaboration
2015-07-01
The electromagnetic form factors of light nuclei provide a sensitive test of our understanding of nuclei. Because the deuteron has spin one, three form factors are needed to fully describe the electromagnetic structure of the deuteron. Especially the deuteron charge radius is a favourite observable to compare experiment and calculation. Recently, an extensive measurement campaign has been performed at MAMI (Mainzer Microtron) to determine the deuteron charge radius using elastic electron scattering - with the aim to halve the error compared to previous such experiments. The experiment took place at the 3-spectrometer facility of the A1-collaboration. Cross section measurements of the elastic electron-deuteron scattering have been performed for 180 different kinematic settings in the low momentum transfer region. From these, the charge form factor can precisely be determined. Fitting the form factor with an appropiate fit function, the radius can then be determined from the slope at zero momentum transfer. The determined radius could then be used as a counterweight to the value obtained from the advanced atomic Lamb shift measurements, thus providing additional insight to the proton radius puzzle.
Vibrationally elastic and inelastic scattering of electrons by hydrogen sulphide molecules
International Nuclear Information System (INIS)
Nishimura, Tamio; Itikawa, Yukikazu
1996-01-01
Vibrationally elastic and inelastic cross sections (differential and integral ones) are calculated for electron scattering from hydrogen sulphide (H 2 S) at the collision energies 3-30 eV. Vibrational excitation of all three fundamental modes is considered. The calculation is based on the rotationally sudden and a vibrationally close-coupling method using an ab initio electrostatic potential. The effects of electron exchange and target polarization are taken into account approximately. The resulting cross sections are compared with the experimental data available. The present differential cross sections (DCS) for the elastic scattering reproduce the experimental data well. For the inelastic scattering, the present DCS is too small at 3 eV, compared with the experimental data. This is probably due to a shape resonance, which the present calculation would not be sufficiently accurate to produce. In the higher energy region (i.e. above about 10 eV), the present vibrational cross section should be more reliable, but no experimental data are available so far. (Author)
First-principles study of electronic and elastic properties of LuAl{sub 3}
Energy Technology Data Exchange (ETDEWEB)
Shukla, Pushplata, E-mail: pujashukla50@gmail.com; Shrivastava, Deepika; Sanyal, Sankar P. [Department of Physics, Barkatullah university, Bhopal 462026 (India)
2016-05-06
A systematic theoretical study of electronic structure of rare earth intermetallic LuAl{sub 3} has been carried out using full potential linearized augmented plane wave (FP-LAPW) method based on density functional theory (DFT) within the generalized gradient approximation(GGA) for exchange and correlation potential. The ground state properties such as lattice constant (a{sub o}), bulk modulus (B) and pressure derivative of bulk modulus (B′) were evaluated. LuAl{sub 3} has the cubic AuCu{sub 3} type crystal structure. The electronic properties of this compound have been analyzed quantatively from band structure and DOS. It is clear from band structure that this compound is metallic in nature. The calculated elastic constants infer that this compound is mechanically stable.
Elasticity, electronic properties and hardness of MoC investigated by first principles calculations
International Nuclear Information System (INIS)
Liu, YangZhen; Jiang, YeHua; Feng, Jing; Zhou, Rong
2013-01-01
The crystal structure, cohesive energy, formation enthalpy, mechanical anisotropy, electronic properties and hardness of α−MoC, β−MoC and γ−MoC are investigated by the first-principles calculations. The elastic constants and the bulk moduli, shear moduli, Young's moduli are calculated. The Young's modulus values of α−MoC, β−MoC and γ−MoC are 395.6 GPa, 551.2 GPa and 399.5 GPa, respectively. The surface constructions of Young's moduli identify the mechanical anisotropy of molybdenum carbide, and the results show that anisotropy of α−MoC is stronger than others. The electronic structure indicates that the bonding behaviors of MoC are the combinations of covalent and metallic bonds. The hardness of β−MoC is obviously higher than those of α−MoC and γ−MoC
The dimensional stability and elastic modulus of cemented simulant Winfrith reactor (SGHWR) sludge
International Nuclear Information System (INIS)
Holland, T.R.; Lee, D.J.
1985-12-01
Dimensional changes and elastic modulus have been monitored on cemented simulant sludge stored in various environments. Specimens prepared using a blended cement show no serious detrimental effects during sealed storage, underwater storage or freeze/thaw cycling. (author)
Evaluation of electron beam stabilization for ion implant processing
Buffat, Stephen J.; Kickel, Bee; Philipps, B.; Adams, J.; Ross, Matthew F.; Minter, Jason P.; Marlowe, Trey; Wong, Selmer S.
1999-06-01
With the integration of high energy ion implant processes into volume CMOS manufacturing, the need for thick resist stabilization to achieve a stable ion implant process is critical. With new photoresist characteristics, new implant end station characteristics arise. The resist outgassing needs to be addressed as well as the implant profile to ensure that the dosage is correct and the implant angle does not interfere with other underlying features. This study compares conventional deep-UV/thermal with electron beam stabilization. The electron beam system used in this study utilizes a flood electron source and is a non-thermal process. These stabilization techniques are applied to a MeV ion implant process in a CMOS production process flow.
Phase stability and electronic structure of transition-metal aluminides
International Nuclear Information System (INIS)
Carlsson, A.E.
1992-01-01
This paper will describe the interplay between die electronic structure and structural energetics in simple, complex, and quasicrystalline Al-transition metal (T) intermetallics. The first example is the Ll 2 -DO 22 competition in Al 3 T compounds. Ab-initio electronic total-energy calculations reveal surprisingly large structural-energy differences, and show that the phase stability of both stoichiometric and ternary-substituted compounds correlates closely with a quasigap in the electronic density of states (DOS). Secondly, ab-initio calculations for the structural stability of the icosahedrally based Al 12 W structure reveal similar quasigap effects, and provide a simple physical explanation for the stability of the complex aluminide structures. Finally, parametrized tight-binding model calculations for the Al-Mn quasicrystal reveal a large spread in the local Mn DOS behavior, and support a two-site model for the quasicrystal's magnetic behavior
Electrostatic stability of electron-positron plasmas in dipole geometry
Mishchenko, Alexey; Plunk, Gabriel; Helander, Per
2017-01-01
The electrostatic stability of electron-positron plasmas is investigated in the point-dipole and Z-pinch limits of dipole geometry. The kinetic dispersion relation for sub-bounce-frequency instabilities is derived and solved. For the zero-Debye-length case, the stability diagram is found to exhibit singular behavior. However, when the Debye length is non-zero, a fluid mode appears, which resolves the observed singularity, and also demonstrates that both the temperature and density gradients c...
Jones, D. B.; da Costa, R. F.; Varella, M. T. do N.; Bettega, M. H. F.; Lima, M. A. P.; Blanco, F.; García, G.; Brunger, M. J.
2016-04-01
We report absolute experimental integral cross sections (ICSs) for electron impact excitation of bands of electronic-states in furfural, for incident electron energies in the range 20-250 eV. Wherever possible, those results are compared to corresponding excitation cross sections in the structurally similar species furan, as previously reported by da Costa et al. [Phys. Rev. A 85, 062706 (2012)] and Regeta and Allan [Phys. Rev. A 91, 012707 (2015)]. Generally, very good agreement is found. In addition, ICSs calculated with our independent atom model (IAM) with screening corrected additivity rule (SCAR) formalism, extended to account for interference (I) terms that arise due to the multi-centre nature of the scattering problem, are also reported. The sum of those ICSs gives the IAM-SCAR+I total cross section for electron-furfural scattering. Where possible, those calculated IAM-SCAR+I ICS results are compared against corresponding results from the present measurements with an acceptable level of accord being obtained. Similarly, but only for the band I and band II excited electronic states, we also present results from our Schwinger multichannel method with pseudopotentials calculations. Those results are found to be in good qualitative accord with the present experimental ICSs. Finally, with a view to assembling a complete cross section data base for furfural, some binary-encounter-Bethe-level total ionization cross sections for this collision system are presented.
Regeta, Khrystyna; Allan, Michael; Winstead, Carl; McKoy, Vincent; Mašín, Zdeněk; Gorfinkiel, Jimena D
2016-01-14
We measured differential cross sections for elastic (rotationally integrated) electron scattering on pyrimidine, both as a function of angle up to 180(∘) at electron energies of 1, 5, 10, and 20 eV and as a function of electron energy in the range 0.1-14 eV. The experimental results are compared to the results of the fixed-nuclei Schwinger variational and R-matrix theoretical methods, which reproduce satisfactorily the magnitudes and shapes of the experimental cross sections. The emphasis of the present work is on recording detailed excitation functions revealing resonances in the excitation process. Resonant structures are observed at 0.2, 0.7, and 4.35 eV and calculations for different symmetries confirm their assignment as the X̃(2)A2, Ã(2)B1, and B̃(2)B1 shape resonances. As a consequence of superposition of coherent resonant amplitudes with background scattering the B̃(2)B1 shape resonance appears as a peak, a dip, or a step function in the cross sections recorded as a function of energy at different scattering angles and this effect is satisfactorily reproduced by theory. The dip and peak contributions at different scattering angles partially compensate, making the resonance nearly invisible in the integral cross section. Vibrationally integrated cross sections were also measured at 1, 5, 10 and 20 eV and the question of whether the fixed-nuclei cross sections should be compared to vibrationally elastic or vibrationally integrated cross section is discussed.
Energy Technology Data Exchange (ETDEWEB)
Jones, D. B. [School of Chemical and Physical Sciences, Flinders University, GPO Box 2100, Adelaide, South Australia 5001 (Australia); Costa, R. F. da [Instituto de Física “Gleb Wataghin,” Universidade Estadual de Campinas, Campinas, 13083-859 São Paulo (Brazil); Departamento de Física, Universidade Federal do Espírito Santo, 29075-910, Vitória, Espírito Santo (Brazil); Varella, M. T. do N. [Instituto de Física, Universidade de São Paulo, CP 66318, 05315-970 São Paulo (Brazil); Bettega, M. H. F. [Departamento de Física, Universidade Federal do Paraná, CP 19044, 81531-990 Curitiba, Paraná (Brazil); Lima, M. A. P. [Instituto de Física “Gleb Wataghin,” Universidade Estadual de Campinas, Campinas, 13083-859 São Paulo (Brazil); Blanco, F. [Departamento de Física Atómica, Molecular y Nuclear, Universidad Complutense de Madrid, Madrid E-28040 (Spain); García, G. [Instituto de Física Fundamental, CSIC, Serrano 113-bis, 28006 Madrid (Spain); Brunger, M. J., E-mail: Michael.Brunger@flinders.edu.au [School of Chemical and Physical Sciences, Flinders University, GPO Box 2100, Adelaide, South Australia 5001 (Australia); Institute of Mathematical Sciences, University of Malaya, 50603 Kuala Lumpur (Malaysia)
2016-04-14
We report absolute experimental integral cross sections (ICSs) for electron impact excitation of bands of electronic-states in furfural, for incident electron energies in the range 20–250 eV. Wherever possible, those results are compared to corresponding excitation cross sections in the structurally similar species furan, as previously reported by da Costa et al. [Phys. Rev. A 85, 062706 (2012)] and Regeta and Allan [Phys. Rev. A 91, 012707 (2015)]. Generally, very good agreement is found. In addition, ICSs calculated with our independent atom model (IAM) with screening corrected additivity rule (SCAR) formalism, extended to account for interference (I) terms that arise due to the multi-centre nature of the scattering problem, are also reported. The sum of those ICSs gives the IAM-SCAR+I total cross section for electron–furfural scattering. Where possible, those calculated IAM-SCAR+I ICS results are compared against corresponding results from the present measurements with an acceptable level of accord being obtained. Similarly, but only for the band I and band II excited electronic states, we also present results from our Schwinger multichannel method with pseudopotentials calculations. Those results are found to be in good qualitative accord with the present experimental ICSs. Finally, with a view to assembling a complete cross section data base for furfural, some binary-encounter-Bethe-level total ionization cross sections for this collision system are presented.
International Nuclear Information System (INIS)
Jones, D. B.; Costa, R. F. da; Varella, M. T. do N.; Bettega, M. H. F.; Lima, M. A. P.; Blanco, F.; García, G.; Brunger, M. J.
2016-01-01
We report absolute experimental integral cross sections (ICSs) for electron impact excitation of bands of electronic-states in furfural, for incident electron energies in the range 20–250 eV. Wherever possible, those results are compared to corresponding excitation cross sections in the structurally similar species furan, as previously reported by da Costa et al. [Phys. Rev. A 85, 062706 (2012)] and Regeta and Allan [Phys. Rev. A 91, 012707 (2015)]. Generally, very good agreement is found. In addition, ICSs calculated with our independent atom model (IAM) with screening corrected additivity rule (SCAR) formalism, extended to account for interference (I) terms that arise due to the multi-centre nature of the scattering problem, are also reported. The sum of those ICSs gives the IAM-SCAR+I total cross section for electron–furfural scattering. Where possible, those calculated IAM-SCAR+I ICS results are compared against corresponding results from the present measurements with an acceptable level of accord being obtained. Similarly, but only for the band I and band II excited electronic states, we also present results from our Schwinger multichannel method with pseudopotentials calculations. Those results are found to be in good qualitative accord with the present experimental ICSs. Finally, with a view to assembling a complete cross section data base for furfural, some binary-encounter-Bethe-level total ionization cross sections for this collision system are presented.
Ebrahimi, Farzad; Barati, Mohammad Reza
2016-10-01
This paper investigates the thermal stability of magneto-electro-thermo-elastic functionally graded (METE-FG) nanoplates based on the nonlocal theory and a refined plate model. The METE-FG nanoplate is subjected to the external electric potential, magnetic potential and different temperature rises. Interaction of elastic medium with the METE-FG nanoplate is modeled via Winkler-Pasternak foundation model. The governing equations are derived by using the Hamilton principle and solved by using an analytical method to determine the critical buckling temperatures. To verify the validity of the developed model, the results of the present work are compared with those available in the literature. A detailed parametric study is conducted to study the influences of the nonlocal parameter, foundation parameters, temperature rise, external electric and magnetic potentials on the size-dependent thermal buckling characteristics of METE-FG nanoplates.
Measuring the Weak Charge of the Proton via Elastic Electron-Proton Scattering
Energy Technology Data Exchange (ETDEWEB)
Jones, Donald C. [Univ. of Virginia, Charlottesville, VA (United States)
2015-10-01
The Qweak experiment which ran in Hall C at Jefferson Lab in Newport News, VA, and completed data taking in May 2012, measured the weak charge of the proton Q^{p}_{W} via elastic electron-proton scattering. Longitudinally polarized electrons were scattered from an unpolarized liquid hydrogen target. The helicity of the electron beam was flipped at approximately 1 kHz between left and right spin states. The Standard Model predicts a small parity-violating asymmetry of scattering rates between right and left helicity states due to the weak interaction. An initial result using 4% of the data was published in October 2013 [1] with a measured parity-violating asymmetry of -279 ± 35(stat) ± 31 (syst) ppb. This asymmetry, along with other data from parity-violating electron scattering experiments, provided the world's first determination of the weak charge of the proton. The weak charge of the proton was found to be ^{p}_{W} = 0.064 ± 0.012, in good agreement with the Standard Model prediction of ^{p}_{W}(SM) = 0.0708 ± 0.0003[2].
Quasi-elastic scattering of electrons from 40Ca at high momentum transfer
International Nuclear Information System (INIS)
Yates, T.C.
1992-01-01
Previous quasi-elastic electron scattering experiments have yielded seemingly inconsistent results when the integrated longitudinal strength is compared to calculations using the relativistic fermi gas model. Measurements made at Saclay on 12 C, 40 Ca, 48 Ca, 56 Fe, and 208 Pb indicated a smaller integrated longitudinal strength than expected on the basis of the relativistic fermi gas model. However, 238 U data taken at Bates showed nearly the full expected longitudinal strength at a momentum transfer of 550 MeV/c. This is one of the outstanding discrepancies in nuclear physics. Earlier experiments were hampered in that high momentum transfer could not be obtained at forward angles where the longtudinal strength is a large fraction of the total strength. The present experiment was designed to take advantage of the higher energy capability (greater than 800 MeV) at Bates recirculated linac in order to obtain momentum transfers greater than 600 MeV/c at a scattering angle of 45.5 degrees. Under these conditions the longitudinal strength is 40-75% of the total quasi-elastic strength
Electronic, elastic and optical properties of ZnGeP{sub 2} semiconductor under hydrostatic pressures
Energy Technology Data Exchange (ETDEWEB)
Tripathy, S.K.; Kumar, V., E-mail: vkumar52@hotmail.com
2014-03-15
The electronic, elastic and optical properties of zinc germanium phosphide, ZnGeP{sub 2}, semiconductor have been studied using local density approximation (LDA) method within the density functional theory (DFT). The lattice constants (a and c), band structure, density of states (DOS), bulk modulus (B) and pressure derivative of bulk modulus (B′) have been discussed. The value of pseudo-direct band gap (E{sub g}) at Γ point has been calculated. The pressure dependences of elastic stiffness coefficients (C{sub ij}), Zener anisotropy factor (A), Poisson's ratio (ν), Young modulus (Y) and shear modulus (G) have also been calculated. The ratio of B/G shows that that ZnGeP{sub 2} is ductile in nature. The optical properties have been discussed in detail under three different pressures in the energy range 0–22 eV. The calculated values of all parameters are compared with the available experimental values and the values reported by different workers. Reasonably good agreement has been obtained between them.
De Basabe, Jonás D.
2010-04-01
We investigate the stability of some high-order finite element methods, namely the spectral element method and the interior-penalty discontinuous Galerkin method (IP-DGM), for acoustic or elastic wave propagation that have become increasingly popular in the recent past. We consider the Lax-Wendroff method (LWM) for time stepping and show that it allows for a larger time step than the classical leap-frog finite difference method, with higher-order accuracy. In particular the fourth-order LWM allows for a time step 73 per cent larger than that of the leap-frog method; the computational cost is approximately double per time step, but the larger time step partially compensates for this additional cost. Necessary, but not sufficient, stability conditions are given for the mentioned methods for orders up to 10 in space and time. The stability conditions for IP-DGM are approximately 20 and 60 per cent more restrictive than those for SEM in the acoustic and elastic cases, respectively. © 2010 The Authors Journal compilation © 2010 RAS.
Stability of the discretization of the electron avalanche phenomenon
Energy Technology Data Exchange (ETDEWEB)
Villa, Andrea, E-mail: andrea.villa@rse-web.it [Ricerca Sul Sistema Energetico (RSE), Via Rubattino 50, 20134, Milano (Italy); Barbieri, Luca, E-mail: luca.barbieri@rse-web.it [Ricerca Sul Sistema Energetico (RSE), Via Rubattino 50, 20134, Milano (Italy); Gondola, Marco, E-mail: marco.gondola@rse-web.it [Ricerca Sul Sistema Energetico (RSE), Via Rubattino 50, 20134, Milano (Italy); Leon-Garzon, Andres R., E-mail: andresricardo.leon@polimi.it [CMIC Department “Giulio Natta”, Politecnico di Milano, Piazza Leonardo da Vinci 32, 20133, Milano (Italy); Malgesini, Roberto, E-mail: roberto.malgesini@rse-web.it [Ricerca Sul Sistema Energetico (RSE), Via Rubattino 50, 20134, Milano (Italy)
2015-09-01
The numerical simulation of the discharge inception is an active field of applied physics with many industrial applications. In this work we focus on the drift-reaction equation that describes the electron avalanche. This phenomenon is one of the basic building blocks of the streamer model. The main difficulty of the electron avalanche equation lies in the fact that the reaction term is positive when a high electric field is applied. It leads to exponentially growing solutions and this has a major impact on the behavior of numerical schemes. We analyze the stability of a reference finite volume scheme applied to this latter problem. The stability of the method may impose a strict mesh spacing, therefore a proper stabilized scheme, which is stable whatever spacing is used, has been developed. The convergence of the scheme is treated as well as some numerical experiments.
International Nuclear Information System (INIS)
Kawrakow, I.; Bielajew, A.F.
1998-01-01
A new representation of elastic electron-nucleus (Coulomb) multiple-scattering distributions is developed. Using the screened Rutherford cross section with the Moliere screening parameter as an example, a simple analytic angular transformation of the Goudsmit-Saunderson multiple-scattering distribution accounts for most of the structure of the angular distribution leaving a residual 3-parameter (path-length, transformed angle and screening parameter) function that is reasonably slowly varying and suitable for rapid, accurate interpolation in a computer-intensive algorithm. The residual function is calculated numerically for a wide range of Moliere screening parameters and path-lengths suitable for use in a general-purpose condensed-history Monte Carlo code. Additionally, techniques are developed that allow the distributions to be scaled to account for energy loss. This new representation allows ''''on-the-fly'''' sampling of Goudsmit-Saunderson angular distributions in a screened Rutherford approximation suitable for class II condensed-history Monte Carlo codes. (orig.)
Quasi-elastic and inelastic inclusive electron scattering from an oxygen jet target
International Nuclear Information System (INIS)
Anghinolfi, M.; Cenni, R.; Levi Sandri, P.; Longhi, A.; Mokeev, V.I.; Polli, E.; Reolon, A.; Ricco, G.; Simula, S.; Taiuti, M.; Teglia, A.; Zucchiatti, A.
1996-01-01
The results of an experiment on inclusive electron scattering from an oxygen jet target, performed in a wide range of energy and momentum transfer covering both quasi-elastic and Δ(1232) resonance regions, are reported. In the former region the theoretical predictions, obtained including effects of nucleon-nucleon correlations in both initial and final states, give a good description of the experimental data. In the inelastic region a broadening as well as a damping of the resonant part of the cross section with respect to the free nucleon case is observed. The need of more detailed calculations including nuclear structure effects on the electroproduction cross section of nucleon resonances is highlighted. (orig.)
Measurements of Electron Proton Elastic Cross Sections for 0.4
International Nuclear Information System (INIS)
Christy, M.E.; Abdellah Ahmidouch; Christopher Armstrong; John Arrington; Arshak Asaturyan; Steven Avery; Baker, O.; Douglas Beck; Henk Blok; Bochna, C.W.; Werner Boeglin; Peter Bosted; Maurice Bouwhuis; Herbert Breuer; Brown, D.S.; Antje Bruell; Roger Carlini; Nicholas Chant; Anthony Cochran; Leon Cole; Samuel Danagoulian; Donal Day; James Dunne; Dipangkar Dutta; Rolf Ent; Howard Fenker; Fox, B.; Liping Gan; Haiyan Gao; Kenneth Garrow; David Gaskell; Ashot Gasparian; Don Geesaman; Paul Gueye; Mark Harvey; Roy Holt; Xiaodong Jiang; Cynthia Keppel; Edward Kinney; Yongguang Liang; Wolfgang Lorenzon; Allison Lung; Pete Markowitz; Martin, J.W.; Kevin Mcilhany; David Mckee; David Meekins; Miller, M.A.; Richard Milner; Joseph Mitchell; Hamlet Mkrtchyan; Robert Mueller; Alan Nathan; Gabriel Niculescu; Maria-ioana Niculescu; Thomas O'neill; Vassilios Papavassiliou; Stephen Pate; Rodney Piercey; David Potterveld; Ronald Ransome; Joerg Reinhold; Rollinde, E.; Philip Roos; Adam Sarty; Reyad Sawafta; Elaine Schulte; Edwin Segbefia; Smith, C.; Samuel Stepanyan; Steffen Strauch; Vardan Tadevosyan; Liguang Tang; Raphael Tieulent; Alicia Uzzle; William Vulcan; Stephen Wood; Feng Xiong; Lulin Yuan; Markus Zeier; Benedikt Zihlmann; Vitaliy Ziskin
2004-01-01
We report on precision measurements of the elastic cross section for electron-proton scattering performed in Hall C at Jefferson Lab. The measurements were made at 28 distinct kinematic settings covering a range in momentum transfer of 0.4 < Q2 < 5.5 (GeV/c)2. These measurements represent a significant contribution to the world's cross section data set in the Q2 range, where a large discrepancy currently exists between the ratio of electric to magnetic proton form factors extracted from previous cross section measurements and that recently measured via polarization transfer in Hall A at Jefferson Lab. This data set shows good agreement with previous cross section measurements, indicating that if a heretofore unknown systematic error does exist in the cross section measurements, then it is intrinsic to all such measurements
Measurement of the parity violation in quasi-elastic electroweak electron-scattering from 9Be
International Nuclear Information System (INIS)
Achenbach, W.; Andresen, H.G.
1987-01-01
Measurement of the Parity Violation in Quasi-Elastic Electroweak Electron-Scattering from 9 Be in the energy range of about 300 MeV is fulfilled. The measurement of the parity violating asymmetry is obtained by a comparison of scattering for a + helicity beam to that for a - helicity beams. To permit a meaningful comparison required that the + helicity and the - helicity beams being identical in all other respects. Measurements at different energies and targets (hydrogen, deuterium) in the medium energy region will allow to determine α, β, γ, δ in a model-independent way. Regarding future experiments at the Mainz microtron cw accelerator, coincidence experiments will open new experimental possibilities for large solid angle detector systems
First principle electronic, structural, elastic, and optical properties of strontium titanate
Directory of Open Access Journals (Sweden)
Chinedu E. Ekuma
2012-03-01
Full Text Available We report self-consistent ab-initio electronic, structural, elastic, and optical properties of cubic SrTiO3 perovskite. Our non-relativistic calculations employed a generalized gradient approximation (GGA potential and the linear combination of atomic orbitals (LCAO formalism. The distinctive feature of our computations stem from solving self-consistently the system of equations describing the GGA, using the Bagayoko-Zhao-Williams (BZW method. Our results are in agreement with experimental ones where the later are available. In particular, our theoretical, indirect band gap of 3.24 eV, at the experimental lattice constant of 3.91 Å, is in excellent agreement with experiment. Our predicted, equilibrium lattice constant is 3.92 Å, with a corresponding indirect band gap of 3.21 eV and bulk modulus of 183 GPa.
On the dynamic Stability of a quadratic-cubic elastic model structure ...
African Journals Online (AJOL)
The main substance of this investigation is the determination of the dynamic buckling load of an imperfect quadratic-cubic elastic model structure , which ,in itself, is a Mathematical generalization of some of the many physical structures normally encountered in engineering practice and allied fields. The load function in ...
Reversed shear Alfven eigenmode stabilization by localized electron cyclotron heating
Energy Technology Data Exchange (ETDEWEB)
Van Zeeland, M A; Hyatt, A W; Lohr, J; Petty, C C [General Atomics, PO Box 85608 San Diego, CA 92186-5608 (United States); Heidbrink, W W [University of California-Irvine, Irvine, CA 92697 (United States); Nazikian, R; Solomon, W M; Gorelenkov, N N; Kramer, G J [Princeton Plasma Physics Laboratory, Princeton, NJ 08543-0451 (United States); Austin, M E [University of Texas-Austin, Austin, TX 78712 (United States); Berk, H L [Institute for Fusion Studies, University of Texas at Austin, Austin, TX 78712 (United States); Holcomb, C T; Makowski, M A [Lawrence Livermore National Laboratory, Livermore, CA (United States); McKee, G R [University of Wisconsin-Madison, Madison, WI 53726 (United States); Sharapov, S E [Euratom/UKAEA Fusion Association, Culham, Abingdon, Oxfordshire, OX14 3DB (United Kingdom); Rhodes, T L [University of California-Los Angeles, Los Angeles, California, 90095 (United States)], E-mail: vanzeeland@fusion.gat.com
2008-03-15
Reversed shear Alfven eigenmode (RSAE) activity in DIII-D is stabilized by electron cyclotron heating (ECH) applied near the minimum of the magnetic safety factor (q{sub min}) in neutral beam heated discharges with reversed-magnetic shear. The degree of RSAE stabilization, fast ion density and the volume averaged neutron production (S{sub n}) are highly dependent on ECH deposition location relative to q{sub min}. While discharges with ECH stabilization of RSAEs have higher S{sub n} and more peaked fast ion profiles than discharges with significant RSAE activity, neutron production remains strongly reduced (up to 60% relative to TRANSP predictions assuming classical fast ion transport) even when RSAEs are stabilized.
The stabilities and electron structures of Al-Mg clusters with 18 and 20 valence electrons
Yang, Huihui; Chen, Hongshan
2017-07-01
The spherical jellium model predicts that metal clusters having 18 and 20 valence electrons correspond to the magic numbers and will show specific stabilities. We explore in detail the geometric structures, stabilities and electronic structures of Al-Mg clusters containing 18 and 20 valence electrons by using genetic algorithm combined with density functional theories. The stabilities of the clusters are governed by the electronic configurations and Mg/Al ratios. The clusters with lower Mg/Al ratios are more stable. The molecular orbitals accord with the shell structures predicted by the jellium model but the 2S level interweaves with the 1D levels and the 2S and 1D orbitals form a subgroup. The clusters having 20 valence electrons form closed 1S21P61D102S2 shells and show enhanced stability. The Al-Mg clusters with a valence electron count of 18 do not form closed shells because one 1D orbital is unoccupied. The ionization potential and electron affinity are closely related to the electronic configurations; their values are determined by the subgroups the HOMO or LUMO belong to. Supplementary material in the form of one pdf file available from the Journal web page at http://https://doi.org/10.1140/epjd/e2017-80042-9
Majumdar, Apala
2013-06-01
We analyze the dynamical stability of a naturally straight, inextensible and unshearable elastic rod, under tension and controlled end rotation, within the Kirchhoff model in three dimensions. The cases of clamped boundary conditions and isoperimetric constraints are treated separately. We obtain explicit criteria for the static stability of arbitrary extrema of a general quadratic strain energy. We exploit the equivalence between the total energy and a suitably defined norm to prove that local minimizers of the strain energy, under explicit hypotheses, are stable in the dynamic sense due to Liapounov. We also extend our analysis to damped systems to show that static equilibria are dynamically stable in the Liapounov sense, in the presence of a suitably defined local drag force. © 2013 Elsevier B.V. All rights reserved.
Theoretical study of elastic electron scattering off stable and exotic nuclei
International Nuclear Information System (INIS)
Roca-Maza, X.; Centelles, M.; Salvat, F.; Vinas, X.
2008-01-01
Results for elastic electron scattering by nuclei, calculated with charge densities of Skyrme forces and covariant effective Lagrangians that accurately describe nuclear ground states, are compared against experiment in stable isotopes. Dirac partial-wave calculations are performed with an adapted version of the ELSEPA package. Motivated by the fact that studies of electron scattering off exotic nuclei are intended in future facilities in the commissioned GSI and RIKEN upgrades, we survey the theoretical predictions from neutron-deficient to neutron-rich isotopes in the tin and calcium isotopic chains. The charge densities of a covariant interaction that describes the low-energy electromagnetic structure of the nucleon within the Lagrangian of the theory are used to this end. The study is restricted to medium- and heavy-mass nuclei because the charge densities are computed in mean-field approach. Because the experimental analysis of scattering data commonly involves parameterized charge densities, as a surrogate exercise for the yet unexplored exotic nuclei, we fit our calculated mean-field densities with Helm model distributions. This procedure turns out to be helpful to study the neutron-number variation of the scattering observables and allows us to identify correlations of potential interest among some of these observables within the isotopic chains
Hybrid Theory of P-Wave Electron-Hydrogen Elastic Scattering
Bhatia, Anand
2012-01-01
We report on a study of electron-hydrogen scattering, using a combination of a modified method of polarized orbitals and the optical potential formalism. The calculation is restricted to P waves in the elastic region, where the correlation functions are of Hylleraas type. It is found that the phase shifts are not significantly affected by the modification of the target function by a method similar to the method of polarized orbitals and they are close to the phase shifts calculated earlier by Bhatia. This indicates that the correlation function is general enough to include the target distortion (polarization) in the presence of the incident electron. The important fact is that in the present calculation, to obtain similar results only 35-term correlation function is needed in the wave function compared to the 220-term wave function required in the above-mentioned previous calculation. Results for the phase shifts, obtained in the present hybrid formalism, are rigorous lower bounds to the exact phase shifts.
Erum, Nazia; Iqbal, Muhammad Azhar
2017-11-01
The structural, electronic, elastic, optical and thermodynamic properties of cubic fluoroperovskite SrLiF3 at ambient and high-pressure are investigated by using first-principles total energy calculations within the framework of Generalized Gradient Approximation (GGA), combined with Quasi-harmonic Debye model in which the phonon effects are considered. The pressure effects are determined in the range of 0-50 GPa, in which cubic stability of SrLiF3 fluoroperovskite remains valid. The computed lattice parameters agree well with experimental and previous theoretical results. Decrease in lattice constant and bonds length is observed with the increase in pressure from 0 to 50 GPa. The effect of increase in pressure on electronic band structure calculations with GGA and GGA plus Tran-Blaha modified Becke-Johnson (TB-mBJ) potential reveals a predominant characteristic associated with widening of bandgap. The influence of pressure on elastic constants and their related mechanical parameters have been discussed in detail. All the calculated optical properties such as the complex dielectric function Ԑ(ω), optical conductivity σ(ω), energy loss function L(ω), absorption coefficient α(w), refractive index n (ω), reflectivity R (ω), and effective number of electrons neff, via sum rules shift towards the higher energies under the application of pressure. Moreover, important thermodynamic properties heat capacities (Cp and Cv), volume expansion coefficient (α), and Debye temperature (θD) are predicted successfully in the wide temperature and pressure ranges.
Electronic, magnetic, elastic and thermodynamic properties of Cu{sub 2}MnGa
Energy Technology Data Exchange (ETDEWEB)
Ghosh, Sukriti [Department of Physics, Government Kamla Raja Girls Autonomous Post Graduate College, Gwalior 474001, Madhya Pradesh (India); Condensed Matter Theory Group, School of Studies in Physics, Jiwaji University, Gwalior 474 011, Madhya Pradesh (India); Gupta, Dinesh C., E-mail: sosfizix@gmail.com [Condensed Matter Theory Group, School of Studies in Physics, Jiwaji University, Gwalior 474 011, Madhya Pradesh (India)
2016-08-01
The full-potential linearized augmented plane wave method in the stable Fm-3m phase has been implemented to investigate the structural, elastic, magnetic and electronic properties of Cu{sub 2}MnGa. The optimized equilibrium lattice parameter in stable phase is found to be 5.9495 Å. By the spin resolved density of states calculations, we have shown that the exchange splitting due to Mn atom is the main reason of ferromagnetic behavior of Cu{sub 2}MnGa. The absence of energy gap in both the spin channels predicts that the material is metallic. The total and partial density of states, elastic constants, Shear, Bulk and Young’s moduli, Zener isotropy factor, Cauchy pressure, Pugh's ductility, Kleinman parameter and Poisson's ratio are reported for the first time for the alloy. Cauchy's pressure and Pugh's index of ductility label Cu{sub 2}MnGa as ductile. Cu{sub 2}MnGa is found to be ferromagnetic and anisotropic in nature. The quasi-harmonic approximations have been employed to study the pressure and temperature dependent thermodynamic properties of Cu{sub 2}MnGa. - Highlights: • It is the first attempt to predict a variety of crystal properties of Cu{sub 2}MnGa. • Cu{sub 2}MnGa shows magnetism and hence can prove to be important in modern technology. • Cu{sub 2}MnGa is ductile and hence can attract attention of scientists and technologists.
Local, atomic-level elastic strain measurements of metallic glass thin films by electron diffraction
Energy Technology Data Exchange (ETDEWEB)
Ebner, C. [Physics of Nanostructured Materials, Faculty of Physics, University of Vienna, Boltzmanngasse 5, 1090 Vienna (Austria); Sarkar, R. [Department of Materials Science and Engineering, School for Engineering of Matter Transport and Energy, Arizona State University, Tempe 85287 (United States); Rajagopalan, J. [Department of Materials Science and Engineering, School for Engineering of Matter Transport and Energy, Arizona State University, Tempe 85287 (United States); Department of Mechanical and Aerospace Engineering, School for Engineering of Matter Transport and Energy, Arizona State University, Tempe 85287 (United States); Rentenberger, C., E-mail: christian.rentenberger@univie.ac.at [Physics of Nanostructured Materials, Faculty of Physics, University of Vienna, Boltzmanngasse 5, 1090 Vienna (Austria)
2016-06-15
A novel technique is used to measure the atomic-level elastic strain tensor of amorphous materials by tracking geometric changes of the first diffuse ring of selected area electron diffraction patterns (SAD). An automatic procedure, which includes locating the centre and fitting an ellipse to the diffuse ring with sub-pixel precision is developed for extracting the 2-dimensional strain tensor from the SAD patterns. Using this technique, atomic-level principal strains from micrometre-sized regions of freestanding amorphous Ti{sub 0.45}Al{sub 0.55} thin films were measured during in-situ TEM tensile deformation. The thin films were deformed using MEMS based testing stages that allow simultaneous measurement of the macroscopic stress and strain. The calculated atomic-level principal strains show a linear dependence on the applied stress, and good correspondence with the measured macroscopic strains. The calculated Poisson’s ratio of 0.23 is reasonable for brittle metallic glasses. The technique yields a strain accuracy of about 1×10{sup −4} and shows the potential to obtain localized strain profiles/maps of amorphous thin film samples. - Highlights: • A TEM method to measure elastic strain in metallic glass films is proposed. • Method is based on tracking geometric changes in TEM diffraction patterns. • An automatic procedure is developed for extracting the local strain tensor. • Atomic-level strain in amorphous TiAl film was analysed during in-situ deformation. • Capability of the method to obtain micrometer scale strain profiles/maps is shown.
International Nuclear Information System (INIS)
Qi, Lei; Jin, Yuchun; Zhao, Yuhong; Yang, Xiaomin; Zhao, Hui; Han, Peide
2015-01-01
Highlights: • Structural, elastic, electronic properties and Debye temperature under pressure. • Higher hardness of Ni 3 Mo compound may be obtained when pressure increases. • Proper pressure can improve the ductility but excess pressure was just the opposite. • Ni 3 Mo compound has no structural phase transformation under pressure up to 30 GPa. • Debye temperatures increase with increasing pressure. - Abstract: With the help of first principles method based on density functional theory, the structural, elastic, electronic properties and Debye temperature of Ni 3 Mo binary compound under pressure are investigated. Our calculated structural parameters are in good agreement with experimental and previous theoretical results. The obtained elastic constants show that Ni 3 Mo compound is mechanically stable. Elastic properties such as bulk modulus B, shear modulus G, Young’s modulus E and Poisson’s ratio υ are calculated by the Voigt–Reuss–Hill method. The results of B/G under various pressures show that proper pressure can improve the ductility of Ni 3 Mo but excess pressure will make the ductility decrease. In addition, the density of states as a function of pressure is analyzed. The Debye temperature Θ D calculated from elastic constants increases along with the pressure
Automotive mechatronics automotive networking, driving stability systems, electronics
2015-01-01
As the complexity of automotive vehicles increases this book presents operational and practical issues of automotive mechatronics. It is a comprehensive introduction to controlled automotive systems and provides detailed information of sensors for travel, angle, engine speed, vehicle speed, acceleration, pressure, temperature, flow, gas concentration etc. The measurement principles of the different sensor groups are explained and examples to show the measurement principles applied in different types. Contents Basics of mechatronics.- Architecture.- Electronic control unit.- Software development.- Basic principles of networking.- Automotive networking.- Bus systems.- Automotive sensors.- Sensor measuring principles.- Sensor types.- Electric actuators.- Electrohydraulic actuators.- Electronic transmission control.- Electronic transmission control unit.- Modules for transmission control.- Antilock braking system.- Traction control system.- Electronic stability program.- Automatic brake functions.- Hydraulic modu...
Stability of Trapped Electrons in SiO(2)
International Nuclear Information System (INIS)
Fleetwood, D.M.; Winokur, P.S.
1999-01-01
Thermally stimulated current and capacitance voltage methods are used to investigate the thermal stability of trapped electrons associated with radiation-induced trapped positive charge in metal-oxide-semiconductor capacitors. The density of deeply trapped electrons in radiation-hardened 45 nm oxides exceeds that of shallow electrons by a factor of ∼3 after radiation exposure, and by up to a factor of 10 or more during biased annealing. Shallow electron traps anneal faster than deep traps, and seem to be at least qualitatively consistent with the model of Lelis et al. Deeper traps maybe part of a fundamentally distinct dipole complex, and/or have shifted energy levels that inhibit charge exchange with the Si
Stability and electronic properties of oxygen-doped ZnS polytypes: DFTB study
Popov, Ilya S.; Vorokh, Andrey S.; Enyashin, Andrey N.
2018-06-01
Synthesis from aqueous solutions is an affordable method for fabrication of II-VI semiconductors. However, application of this method often imposes a disorder of crystal lattice, manifesting as a rich variety of polytypes arising from wurtzite and zinc blende phases. The origin of this disordering still remains debatable. Here, the influence of the most likely impurity at water environment - substitutional oxygen - on the polytypic equilibrium of zinc sulphide is studied by means of density-functional tight-binding method. According to calculations, the inclusion of such oxygen does not affect the polytypic equilibrium. Apart of thermodynamic stability, the electronic and elastic properties of ZnS polytypes are studied as the function of oxygen distribution.
Electrostatic stability of electron-positron plasmas in dipole geometry
Mishchenko, Alexey; Plunk, Gabriel G.; Helander, Per
2018-04-01
The electrostatic stability of electron-positron plasmas is investigated in the point-dipole and Z-pinch limits of dipole geometry. The kinetic dispersion relation for sub-bounce-frequency instabilities is derived and solved. For the zero-Debye-length case, the stability diagram is found to exhibit singular behaviour. However, when the Debye length is non-zero, a fluid mode appears, which resolves the observed singularity, and also demonstrates that both the temperature and density gradients can drive instability. It is concluded that a finite Debye length is necessary to determine the stability boundaries in parameter space. Landau damping is investigated at scales sufficiently smaller than the Debye length, where instability is absent.
Dapor, Maurizio
2018-03-29
Quantum information theory deals with quantum noise in order to protect physical quantum bits (qubits) from its effects. A single electron is an emblematic example of a qubit, and today it is possible to experimentally produce polarized ensembles of electrons. In this paper, the theory of the polarization of electron beams elastically scattered by atoms is briefly summarized. Then the POLARe program suite, a set of computer programs aimed at the calculation of the spin-polarization parameters of electron beams elastically interacting with atomic targets, is described. Selected results of the program concerning Ar, Kr, and Xe atoms are presented together with the comparison with experimental data about the Sherman function for low kinetic energy of the incident electrons (1.5eV-350eV). It is demonstrated that the quantum-relativistic theory of the polarization of electron beams elastically scattered by atoms is in good agreement with experimental data down to energies smaller than a few eV.
Directory of Open Access Journals (Sweden)
Alexander L. Ivanovskii
2008-01-01
Full Text Available Atomic models of cubic crystals (CC of carbon and graphene-like Si nanotubes are offered and their structural, cohesive, elastic and electronic properties are predicted by means of the DFTB method. Our main findings are that the isotropic crystals of carbon nanotubes adopt a very high elastic modulus B and low compressibility β, namely B = 650 GPa, β = 0.0015 1/GPa. In addition, these crystals preserve the initial conductivity type of their “building blocks”, i.e. isolated carbon and Si nanotubes. This feature may be important for design of materials with the selected conductivity type.
International Nuclear Information System (INIS)
Thore, A.; Dahlqvist, M.; Alling, B.; Rosén, J.
2014-01-01
In this paper, we report the by first-principles predicted properties of the recently discovered magnetic MAX phase Mn 2 GaC. The electronic band structure and vibrational dispersion relation, as well as the electronic and vibrational density of states, have been calculated. The band structure close to the Fermi level indicates anisotropy with respect to electrical conductivity, while the distribution of the electronic and vibrational states for both Mn and Ga depend on the chosen relative orientation of the Mn spins across the Ga sheets in the Mn–Ga–Mn trilayers. In addition, the elastic properties have been calculated, and from the five elastic constants, the Voigt bulk modulus is determined to be 157 GPa, the Voigt shear modulus 93 GPa, and the Young's modulus 233 GPa. Furthermore, Mn 2 GaC is found relatively elastically isotropic, with a compression anisotropy factor of 0.97, and shear anisotropy factors of 0.9 and 1, respectively. The Poisson's ratio is 0.25. Evaluated elastic properties are compared to theoretical and experimental results for M 2 AC phases where M = Ti, V, Cr, Zr, Nb, Ta, and A = Al, S, Ge, In, Sn.
Directory of Open Access Journals (Sweden)
Boudia Keltouma
2015-12-01
Full Text Available Structural, elastic, electronic and thermodynamic properties of ternary cubic filled skutterudite compound were calculated. We have computed the elastic modulus and its pressure dependence. From the elastic parameter behavior, it is inferred that this compound is elastically stable and ductile in nature. Through the quasi-harmonic Debye model, in which phononic effects are considered, the effect of pressure P (0 to 50 GPa and temperature T (0 to 3000 °C on the lattice constant, elastic parameters, bulk modulus B, heat capacity, thermal expansion coefficient α, internal energy U, entropy S, Debye temperature θD, Helmholtz free energy A, and Gibbs free energy G are investigated.
Structural stability, electronic, mechanical and superconducting properties of CrC and MoC
Energy Technology Data Exchange (ETDEWEB)
Kavitha, M.; Sudha Priyanga, G. [Department of Physics, N.M.S.S.V.N College, Madurai 625019, Tamilnadu (India); Rajeswarapalanichamy, R., E-mail: rrpalanichamy@gmail.com [Department of Physics, N.M.S.S.V.N College, Madurai 625019, Tamilnadu (India); Iyakutti, K. [Department of Physics and Nanotechnology, SRM University, Chennai 603203, Tamilnadu (India)
2016-02-01
The structural, electronic, mechanical and superconducting properties of chromium carbide (CrC) and molybdenum carbide (MoC) are investigated using first principles calculations based on density functional theory (DFT). The computed ground state properties like equilibrium lattice constants and cell volume are in good agreement with available theoretical and experimental data. A pressure induced structural phase transition from tungsten carbide phase (WC) to zinc blende phase (ZB) and then zinc blende phase (ZB) to nickel arsenide phase (NiAs) are observed in both chromium and molybdenum carbides. Electronic structure reveals that these carbides are metallic at ambient condition. All the calculated elastic constants obey the Born–Huang stability criteria, suggesting that they are mechanically stable at normal and high pressure. The super conducting transition temperatures for CrC and MoC in WC phase are found to be 31.12 K and 17.14 K respectively at normal pressure. - Highlights: • Electronic and mechanical properties of CrC and MoC are investigated. • Pressure induced structural phase transition is predicted at high pressure. • Electronic structure reveals that these materials exhibit metallic behaviour. • Debye temperature values are computed for CrC and MoC. • Superconducting transition temperature values are computed.
Jaradat, Raed; Abu-Jafar, Mohammed; Abdelraziq, Issam; Mousa, Ahmad; Ouahrani, Tarik; Khenata, Rabah
2018-04-01
The equilibrium structural parameters, electronic and optical properties of the alkali hydrides RbH and CsH compounds in rock-salt (RS) and cesium chloride (CsCl) structures have been studied using the full-potential linearized augmented plane-wave (FP-LAPW) method. Wu and Cohen generalized gradient approximation (WC-GGA) was used for the exchange-correlation potential to compute the equilibrium structural parameters, such as the lattice constant (a0), the bulk modulus (B) and bulk modulus first order pressure derivative (B'). In addition to the WC-GGA, the modified Becke Johnson (mBJ) scheme has been also used to overcome the underestimation of the band gap energies. RbH and CsH compounds are found to be semiconductors (wide energy-band gap) using the WC-GGA method, while they are insulators using the mBJ-GGA method. Elastic constants, mechanical and thermodynamic properties were obtained by using the IRelast package. RbH and CsH compounds at ambient pressure are mechanically stable in RS and CsCl structures; they satisfy the Born mechanical stability criteria. Elastic constants (Cij), bulk modulus (B), shear modulus (S) and Debye temperatures (θD) of RbH and CsH compounds decrease as the alkali radius increases. The RS structure of these compounds at ambient conditions is mechanically stronger than CsCl structure. RbH and CsH in RS and CsCl structures are suitable as dielectric compounds. The wide direct energy band gap for these compounds make them promising compounds for optoelectronic UV device applications. Both RbH and CsH have a wide absorption region, on the other hand RbH absorption is very huge compared to the CsH absorption, RbH is an excellent absorbent material, maximum absorption regions are located in the middle ultraviolet (MUV) region and far ultraviolet (FUV) region. The absorption coefficient α (w), imaginary part of the dielectric constant ɛ2(w) and the extinction coefficient k(w) vary in the same way. The present calculated results are in
DEFF Research Database (Denmark)
Blæhr, Tue Lindberg; Jensen, Thomas; Due, Karen Margrethe
2014-01-01
OBJECTIVES: To assess the short term dental and skeletal stability of the anterior maxillary segment after segmental Le Fort I osteotomy with postoperative skeletal elastic fixation with or without occlusal splint. MATERIAL AND METHODS: 29 consecutive patients underwent segmental Le Fort I...... osteotomy and elastic skeletal fixation was applied. Patients were divided into two groups according to whether a fixed occlusal splint was used for six weeks (group A) or dismounted perioperatively (group B). Changes in landmarks and reference planes between the two timepoints were estimated on lateral.......83 to 1.69°). There was no statistically significant difference in stability between the two groups at the P value 0.05. CONCLUSIONS: The skeletal anterior fixation with postoperative elastics for eight weeks may not compromise the early postoperative dental and skeletal stability of the anterior segment...
Structural, electronic and elastic properties of the cubic CaTiO{sub 3} under pressure: A DFT study
Energy Technology Data Exchange (ETDEWEB)
Tariq, Saad, E-mail: saadigi@hotmail.com; Ahmed, Afaq; Tariq, Samar [Centre of Excellence in Solid State Physics, University of Punjab, Lahore, 54000 (Pakistan); Saad, Saher [Centre for High Energy Physics, University of the Punjab, Lahore (Pakistan)
2015-07-15
Using highly accurate FP-LAPW method with GGA approximation structural, electronic and elastic properties of cubic CaTiO{sub 3} have been calculated from 0-120 GPa range of pressure. It is observed that lattice constant, bond length and anisotropy factor decrease with increase in pressure. Also the brittle nature and indirect band-gap of the compound become ductile and direct band-gap respectively at 120 GPa. Moduli of elasticity, density of the material, Debye temperature and wave elastic wave velocities increase with increase in pressure. Spin dependent DOS’s plots show invariant anti-ferromagnetic nature of the compound under pressure. Our calculated results are in good agreement with available theoretical and experimental results.
Structural, electronic and elastic properties of the cubic CaTiO3 under pressure: A DFT study
Directory of Open Access Journals (Sweden)
Saad Tariq
2015-07-01
Full Text Available Using highly accurate FP-LAPW method with GGA approximation structural, electronic and elastic properties of cubic CaTiO3 have been calculated from 0-120 GPa range of pressure. It is observed that lattice constant, bond length and anisotropy factor decrease with increase in pressure. Also the brittle nature and indirect band-gap of the compound become ductile and direct band-gap respectively at 120 GPa. Moduli of elasticity, density of the material, Debye temperature and wave elastic wave velocities increase with increase in pressure. Spin dependent DOS’s plots show invariant anti-ferromagnetic nature of the compound under pressure. Our calculated results are in good agreement with available theoretical and experimental results.
Stabilization of electron beam spot size by self bias potential
International Nuclear Information System (INIS)
Kwan, T.J.T.; Moir, D.C.; Snell, C.M.; Kang, M.
1998-01-01
In high resolution flash x-ray imaging technology the electric field developed between the electron beam and the converter target is large enough to draw ions from the target surface. The ions provide fractional neutralization and cause the electron beam to focus radially inward, and the focal point subsequently moves upstream due to the expansion of the ion column. A self-bias target concept is proposed and verified via computer simulation that the electron charge deposited on the target can generate an electric potential, which can effectively limit the ion motion and thereby stabilize the growth of the spot size. A target chamber using the self bias target concept was designed and tested in the Integrated Test Stand (ITS). The authors have obtained good agreement between computer simulation and experiment
International Nuclear Information System (INIS)
Mayrhofer, P. H.; Music, D.; Schneider, J. M.
2006-01-01
Ti 1-x Al x N films and/or their alloys are employed in many industrial applications due to their excellent mechanical and thermal properties. Synthesized by plasma-assisted vapor deposition, Ti 1-x Al x N is reported to crystallize in the cubic NaCl (c) structure for AlN mole fractions below 0.4-0.91, whereas at larger Al contents the hexagonal ZnS-wurtzite (w) structure is observed. Here we use ab initio calculations to analyze the effect of composition and Al distribution on the metal sublattice on phase stability, structure, and elastic properties of c-Ti 1-x Al x N and w-Ti 1-x Al x N. We show that the phase stability of supersaturated c-Ti 1-x Al x N not only depends on the chemical composition but also on the Al distribution of the metal sublattice. An increase of the metastable solubility limit of AlN in c-Ti 1-x Al x N from 0.64 to 0.74 is obtained by decreasing the number of Ti-Al bonds. This can be understood by considering the Al distribution induced changes of the electronic structure, bond energy, and configurational entropy. This may in part explain the large variation of the metastable solubility limit reported in the literature
Antonsson, E; Langer, B; Halfpap, I; Gottwald, J; Rühl, E
2017-06-28
In order to gain quantitative information on the surface composition of nanoparticles from X-ray photoelectron spectroscopy, a detailed understanding of photoelectron transport phenomena in these samples is needed. Theoretical results on the elastic and inelastic scattering have been reported, but a rigorous experimental verification is lacking. We report in this work on the photoelectron angular distribution from free SiO 2 nanoparticles (d = 122 ± 9 nm) after ionization by soft X-rays above the Si 2p and O 1s absorption edges, which gives insight into the relative importance of elastic and inelastic scattering channels in the sample particles. The photoelectron angular anisotropy is found to be lower for photoemission from SiO 2 nanoparticles than that expected from the theoretical values for the isolated Si and O atoms in the photoelectron kinetic energy range 20-380 eV. The reduced angular anisotropy is explained by elastic scattering of the outgoing photoelectrons from neighboring atoms, smearing out the atomic distribution. Photoelectron angular distributions yield detailed information on photoelectron elastic scattering processes allowing for a quantification of the number of elastic scattering events the photoelectrons have undergone prior to leaving the sample. The interpretation of the experimental photoelectron angular distributions is complemented by Monte Carlo simulations, which take inelastic and elastic photoelectron scattering into account using theoretical values for the scattering cross sections. The results of the simulations reproduce the experimental photoelectron angular distributions and provide further support for the assignment that elastic and inelastic electron scattering processes need to be considered.
Stability of trapped electrons in SiO2
International Nuclear Information System (INIS)
Fleetwood, D.M.; Winokur, P.S.; Flament, O.; Leray, J.L.
1998-01-01
Electron trapping near the Si/SiO 2 interface plays a crucial role in mitigating the response of MOS devices to ionizing radiation or high-field stress. These electrons offset positive charge due to trapped holes, and can be present at densities exceeding 10 12 cm -2 in the presence of a similar density of trapped positive charge. The nature of the defects that serve as hosts for trapped electrons in the near-interfacial SiO 2 is presently unknown, although there is compelling evidence that these defects are often intimately associated with trapped holes. This association is depicted most directly in the model of Lelis et al., which suggests that trapped electrons and holes occupy opposite sides of a compensated E center in SiO 2 . Charge exchange between electron traps and the Si can occur over a wide range of time scales, depending on the trap depth and location relative to the Si/SiO 2 interface. Here the authors report a detailed study of the stability of electron traps associated with trapped holes near the Si/SiO 2 interface
Electronic, optical, infrared, and elastic properties of KCdCO3F from first principles
Huang, Xue-Qian; Xue, Han-Yu; Zhang, Can; Pang, Dong-Dong; Lv, Zhen-Long; Duan, Man-Yi
2018-05-01
KCdCO3F is a newly synthesized promising ultraviolet nonlinear optical crystal, but its structure is disputed and its fundamental properties have not been well studied. Here our first-principles study indicates that the structure with the space group P 6 bar c2 is energetically more stable than the P 6 bar m2 phase. We systematically investigated its electronic, optical, vibrational, infrared, and elastic properties. The results reveal that KCdCO3F is a direct-band-gap insulator with rather flat bands below the Fermi level. Analyses of its partial density of states revealed that the top (bottom) of its valence (conduction) band is formed by the O 2p (Cd 5s) orbital. It is a negative uniaxial crystal with ionic-covalent nature. Both infrared-active and Raman-active modes exist at its Brillouin zone center, and ions contribute more to its static dielectric constants. Its optical spectra in the visual and infrared ranges were studied, and their origins were revealed. Calculations indicate that KCdCO3F is mechanically stable but anisotropic since it is more vulnerable to shear stress and is easy to cleave along the c axis.
Energy Technology Data Exchange (ETDEWEB)
Ruiz Ruiz, J.; White, A. E. [MIT-Plasma Science and Fusion Center, Cambridge, Massachusetts 02139 (United States); Ren, Y.; Guttenfelder, W.; Kaye, S. M.; Leblanc, B. P.; Mazzucato, E. [Princeton Plasma Physics Laboratory, Princeton, New Jersey 08543 (United States); Lee, K. C. [National Fusion Research Institute, Daejeon (Korea, Republic of); Domier, C. W. [University of California at Davis, Davis, California 95616 (United States); Smith, D. R. [University of Wisconsin-Madison, Madison, Wisconsin 53706 (United States); Yuh, H. [Nova Photonics, Inc., Princeton, New Jersey 08540 (United States)
2015-12-15
Theory and experiments have shown that electron temperature gradient (ETG) turbulence on the electron gyro-scale, k{sub ⊥}ρ{sub e} ≲ 1, can be responsible for anomalous electron thermal transport in NSTX. Electron scale (high-k) turbulence is diagnosed in NSTX with a high-k microwave scattering system [D. R. Smith et al., Rev. Sci. Instrum. 79, 123501 (2008)]. Here we report on stabilization effects of the electron density gradient on electron-scale density fluctuations in a set of neutral beam injection heated H-mode plasmas. We found that the absence of high-k density fluctuations from measurements is correlated with large equilibrium density gradient, which is shown to be consistent with linear stabilization of ETG modes due to the density gradient using the analytical ETG linear threshold in F. Jenko et al. [Phys. Plasmas 8, 4096 (2001)] and linear gyrokinetic simulations with GS2 [M. Kotschenreuther et al., Comput. Phys. Commun. 88, 128 (1995)]. We also found that the observed power of electron-scale turbulence (when it exists) is anti-correlated with the equilibrium density gradient, suggesting density gradient as a nonlinear stabilizing mechanism. Higher density gradients give rise to lower values of the plasma frame frequency, calculated based on the Doppler shift of the measured density fluctuations. Linear gyrokinetic simulations show that higher values of the electron density gradient reduce the value of the real frequency, in agreement with experimental observation. Nonlinear electron-scale gyrokinetic simulations show that high electron density gradient reduces electron heat flux and stiffness, and increases the ETG nonlinear threshold, consistent with experimental observations.
Directory of Open Access Journals (Sweden)
Ghufran K Hussein
2018-03-01
Full Text Available Background/Purpose: The demand for invisibility appearance of fixed orthodontic appliances result in increase the use of ceramic brackets with clear auxiliaries. Elastic ligatures are one of the most widely used materials in fixed orthodontic treatment and susceptible for discoloration. The aims of this study were the evaluation and comparison the effect of brushing orthodontic clear elastic ligatures by whitening toothpastes with different whitening agents on the color stability of them. Materials and method: The sample consisted of whitening toothpastes: Kin Progressive White (Fabrique par, Barcelona, Spain, Lacalut White (Germany, Silca Brilliant White (Germany, and Opalescence White (UT, USA, also Kin Regular (Fabrique par, Barcelona, Spain (control. Sixty Ormco Clear Ligatures (Scafati, Italy used in the study, these ligatures exposed 1 hour daily to dietary media (Mixture of tea, coffee, turmeric, and mineralized water (pH=4.6 and each 10 specimens brushed with one type of toothpaste, except 10 elastics without brushing. After 4 weeks, the ligatures were assessed by a cellular attachable microscope that connected to the mobile phone according to CIE L*a*b* color system by the Adobe Photoshop program. Results: The resulting data were statistically analyzed using ANOVA and Tukey’s HSD tests which showed that the highest mean value of color change was observed in no brushing ligatures followed by Silca Brilliant White, Lacalut White, Kin Progressive White, Opalescence White, the lowest value of color change was Kin Regular. Furthermore, the increased mean value of color change was mainly affected by (CIE b* axis. Conclusion: Kin Regular toothpaste without whitening agents decreased the color change of clear ligatures more than others after exposure to staining media.
International Nuclear Information System (INIS)
Gakh, G.I.; Tomasi-Gustafsson, E.
2006-01-01
The general spin structure of the matrix element, taking into account the 2-photon exchange contribution, for the elastic electron (positron) - deuteron scattering has been derived using general symmetry properties of the hadron electromagnetic interaction, such as P-, C- and T-invariances as well as lepton helicity conservation in QED at high energy. Taking into account also crossing symmetry, the amplitudes of e ± d scattering can be parametrized in terms of fifteen real functions. The expressions for the differential cross section and for all polarization observables are given in terms of these functions. We consider the case of an arbitrary polarized deuteron target and polarized electron beam (both longitudinal and transverse). The transverse polarization of the electron beam induces a single-spin asymmetry which is non-zero in presence of 2-photon exchange. It is shown that elastic deuteron electromagnetic form factors can still be extracted in presence of 2 photon exchange, from the measurements of the differential cross sections and of one polarization observable (for example, the tensor asymmetry) for electron and positron deuteron elastic scattering, in the same kinematical conditions. (authors)
Stability of the antiferromagnetic state in the electron doped iridates
Bhowal, Sayantika; Moradi Kurdestany, Jamshid; Satpathy, Sashi
2018-06-01
Iridates such as Sr2IrO4 are of considerable interest owing to the formation of the Mott insulating state driven by a large spin–orbit coupling. However, in contrast to the expectation from the Nagaoka theorem that a single doped hole or electron destroys the anti-ferromagnetic (AFM) state of the half-filled Hubbard model in the large U limit, the anti-ferromagnetism persists in the doped Iridates for a large dopant concentration beyond half-filling. With a tight-binding description of the relevant states by the third-neighbor (t 1, t 2, t 3, U) Hubbard model on the square lattice, we examine the stability of the AFM state to the formation of a spin spiral state in the strong coupling limit. The third-neighbor interaction t 3 is important for the description of the Fermi surface of the electron doped system. A phase diagram in the parameter space is obtained for the regions of stability of the AFM state. Our results qualitatively explain the robustness of the AFM state in the electron doped iridate (such as Sr2‑x La x IrO4), observed in many experiments, where the AFM state continues to be stable until a critical dopant concentration.
On the stability and the genesis of the electron
International Nuclear Information System (INIS)
Yadava, K.S.
1976-01-01
The present paper intends to develop a self-consistent field theory of the electron, purely within the realm of classical electrodynamics, which accounts for its existence, its finite size, its charge distribution and its stability. It is shown that an electron can be interpreted as a small region of the field (of the order of 10 - 15m) in which the field values are extremely great. These small regions of the field which would correspond to our usual notion of particles are known as bunched fields. Such bunched fields have been constructed here by finding a discrete number of solutions for Poisson's equation in electrostatics, which are everywhere singularity free, static and spherically symmetric in the domain 0 approximately equal to γ approximately infinity. The corresponding electric fields are also regular everywhere. Both the charge and the mass of the particle are then completely expressed in terms of these regular fields. The theory developed accounts for the existence of the electron, its finite size, its charge distribution and its stability
Energy Technology Data Exchange (ETDEWEB)
Surucu, Gokhan, E-mail: g_surucu@yahoo.com [Ahi Evran University, Department of Electric and Energy, 40100, Kirsehir (Turkey); Gazi University, Photonics Application and Research Center, 06500, Ankara (Turkey); Kaderoglu, Cagil [Ankara University, Department of Engineering Physics, 06100, Ankara (Turkey); Deligoz, Engin; Ozisik, Haci [Aksaray University, Department of Physics, 68100, Aksaray (Turkey)
2017-03-01
First principles density functional theory (DFT) calculations have been used to investigate the structural, anisotropic elastic and electronic properties of ruthenium doped tungsten-diboride ternary compounds (W{sub 1−x}Ru{sub x}B{sub 2}) for an increasing molar fraction of Ru atom from 0.1 to 0.9 by 0.1. Among the nine different compositions, W{sub 0.3}Ru{sub 0.7}B{sub 2} has been found as the most stable one due to the formation energy and band filling theory calculations. Moreover, the band structures and partial density of states (PDOS) have been computed for each x composition. After obtaining the elastic constants for all x compositions, the secondary results such as Bulk modulus, Young’s modulus, Poisson’s ratio, Shear modulus, and Vickers Hardness of polycrystalline aggregates have been derived and the relevant mechanical properties have been discussed. In addition, the elastic anisotropy has been visualized in detail by plotting the directional dependence of compressibility, Poisson ratio, Young’s and Shear moduli. - Highlights: • Effects of Ru substitution in WB{sub 2} using increased valence electron concentration. • Structural, electronic, mechanic and elastic properties for increasing Ru content. • Considered alloys are incompressible, brittle, stiffer and high hard materials.
2011-08-10
...-0112] Federal Motor Vehicle Safety Standards; Electronic Stability Control; Technical Report on the Effectiveness of Electronic Stability Control Systems for Cars and LTVs AGENCY: National Highway Traffic Safety..., Electronic Stability Control Systems. The report's title is: Crash Prevention Effectiveness in Light-Vehicle...
Stability and electronic properties of silicene on WSe2
Zhu, Jiajie
2015-03-17
Many semiconducting substrates, such as GaS and MgBr2, have been explored for silicene. However, large lattice mismatches, complicated control of terminal layers and small band gaps are critical limiting factors. First-principles results on the stability and electronic properties of silicene on WSe2 show that the energy barriers for lateral translation between the two subsystems are very small due to weak van der Waals interactions. For the same reason, the Dirac physics of silicene is preserved. It turns out that the induced band gap is sufficient to withstand thermal fluctuations. This journal is © The Royal Society of Chemistry 2015.
Zachert, Gregor; Rapp, Marion; Eggert, Rebecca; Schulze-Hessing, Maaike; Gros, Nina; Stratmann, Christina; Wendlandt, Robert; Kaiser, Martin M
2015-08-01
For pediatric femoral shaft fractures, elastic stable intramedullary nailing (ESIN) is an accepted method of treatment. But problems regarding stability with shortening or axial deviation are well known in complex fracture types and heavier children. Biomechanical in vitro testing was performed to determine whether two modified osteosyntheses with an additional tension screw fixation or screw fixation alone without nails could significantly improve the stability in comparison to classical ESIN. A total of 24 synthetic adolescent-sized femoral bone models (Sawbones, 4th generation; Vashon, Washington, United States) with an identical spiral fracture (length 100 mm) were used. All grafts underwent retrograde fixation with two C-shaped steel nails (2C). Of the 24, 8 osteosyntheses were supported by one additional tension screw (2C1S) and another 8 by two screws (2S) in which the intramedullary nails were removed before testing. Each configuration underwent biomechanical testing in 4-point bending, external rotation (ER) and internal rotation (IR). Furthermore, the modifications were tested in axial physiological 9 degrees position for shifting and dynamic compression as well as dynamic load. Both screw configurations (2C1S and 2S) demonstrated a significantly higher stability in comparison to the 2C configuration in 4-point bending (anterior-posterior, 0.95 Nm/mm [2C] spiral fracture model, the stability of ESIN could be significantly improved by two modifications with additional tension screws. If transferred in clinical practice, these modifications might offer earlier weight bearing and less problems of shortening or axial deviation. Georg Thieme Verlag KG Stuttgart · New York.
Structural, electronic and elastic properties of REIr{sub 2} (RE=La and Ce) Laves phase compounds
Energy Technology Data Exchange (ETDEWEB)
Shrivastava, Deepika, E-mail: deepika89shrivastava@gmail.com; Fatima, Bushra; Sanyal, Sankar P. [Department of Physics, Barkatullah University, Bhopal, 462026 (India)
2016-05-23
REIr{sub 2} (RE = La and Ce) Laves phase intermetallic compounds were investigated with respect to their structural, electronic and elastic properties using full potential linearized augmented plane wave (FP-LAPW) method within generalized gradient approximation (GGA) as implemented in WIEN2k code. The ground state properties such as lattice constants (a{sub 0}), bulk modulus (B), pressure derivative of bulk modulus (B′) and density of state at Fermi level N(E{sub F}) have been obtained by optimization method. The electronic structure (BS, TDOS and PDOS) reveals that these Laves phase compounds are metallic in nature. The calculated elastic constants indicate that these compounds are mechanically stable at ambient pressure and found to be ductile in nature.
Energy Technology Data Exchange (ETDEWEB)
Shrivastava, Deepika, E-mail: deepika89shrivastava@gmail.com; Sanyal, Sankar P. [Department of Physics, Barkatullah university, Bhopal, 462026 (India)
2016-05-06
We have performed the first-principles calculations to study the structural, electronic and elastic properties of RERu{sub 2} (RE = Pr and Nd) Laves phase intermetallic compounds using full-potential linearized augmented plane wave (FP-LAPW) method based on density functional theory (DFT) within the generalized gradient approximation (GGA) for exchange and correlation potential. The optimized lattices constant are in reasonable agreement with available experimental data. The electronic properties are analyzed in terms of band structures, total and partial density of states, which confirm their metallic character. The calculated elastic constants infer that these compounds are mechanically stable in C15 (MgCu{sub 2} type) structure and found to be ductile in nature.
Li, Yanling; Zeng, Zhi; Lin, Haiqing
2010-06-01
The structural, elastic, electronic and dynamical properties of ReB and OsB are investigated by first-principles calculations based on density functional theory. It turns out that ReB and OsB are metallic ultra-incompressible solids with small elastic anisotropy and high hardness. The change of c/ a ratio in OsB indicates that there is a structural phase transition at about 31 GPa. Phonon spectra calculations show that both OsB and ReB are stable dynamically and there are abnormal phonon dispersions along special directions in Brillouin zone. OsB and ReB do not show superconductivity due to very weak electron-phonon interactions in them.
Directory of Open Access Journals (Sweden)
I. S. Timchenko
2015-07-01
Full Text Available For calculating the radiative tails in the spectra of inelastic electron scattering by nuclei, the approximation, namely, the equivalent radiator method (ERM, is used. However, the applicability of this method for evaluating the radiative tail from the elastic scattering peak has been little investigated, and therefore, it has become the subject of the present study for the case of light nuclei. As a result, spectral regions were found, where a significant discrepancy between the ERM calculation and the exact-formula calculation was observed. A link was established between this phenomenon and the diffraction minimum of the squared form-factor of the nuclear ground state. Varieties of calculations were carried out for different kinematics of electron scattering by nuclei. The analysis of the calculation results has shown the conditions, at which the equivalent radiator method can be applied for adequately evaluating the radiative tail of the elastic scattering peak.
Investigation of elastic stability of the lower part of drill pipe string (dynamic problems)
Energy Technology Data Exchange (ETDEWEB)
Griguletskii, V.G.
1981-12-01
Based on V.V. Bolotin's results, the problem of dynamic stability of the lower part of a string of drill pipes in a vertical well is formulated (and solved in the first approximation). An investigation of the phenomena during the interaction between lengthwise and transverse oscillations of the bottom part of the drill pipe string is carried out. Excitation conditions are determined and the mechanism of the onset of parametric oscillations is explained. 20 refs.
Ebrahimi, Farzad; Barati, Mohammad Reza
2016-10-01
In this article, a nonlocal four-variable refined plate theory is developed to examine the buckling behavior of nanoplates made of magneto-electro-elastic functionally graded (MEE-FG) materials resting on Winkler-Pasternak foundation. Material properties of nanoplate change in spatial coordinate based on power-law distribution. The nonlocal governing equations are deduced by employing the Hamilton principle. For various boundary conditions, the analytical solutions of nonlocal MEE-FG plates for buckling problem will be obtained based on an exact solution approach. Finally, dependency of buckling response of MEE-FG nanoplate on elastic foundation parameters, magnetic potential, external electric voltage, various boundary conditions, small scale parameter, power-law index, plate side-to-thickness ratio and aspect ratio will be figure out. These results can be advantageous for the mechanical analysis and design of intelligent nanoscale structures constructed from magneto-electro-thermo-elastic functionally graded materials.
Energy Technology Data Exchange (ETDEWEB)
Sahli, B. [Laboratoire de Génie Physique, Université Ibn Khaldoun, Tiaret, 14000 (Algeria); Laboratoire des Matériaux Magnétiques, Université Djillali Liabés, Sidi Bel-Abbes 22000 (Algeria); Bouafia, H., E-mail: hamza.tssm@gmail.com [Laboratoire de Génie Physique, Université Ibn Khaldoun, Tiaret, 14000 (Algeria); Abidri, B.; Abdellaoui, A. [Laboratoire des Matériaux Magnétiques, Université Djillali Liabés, Sidi Bel-Abbes 22000 (Algeria); Hiadsi, S.; Akriche, A. [Laboratoire de Microscope Electronique et Sciences des Matériaux, Université des Sciences et de la Technologie Mohamed Boudiaf, département de Génie Physique, BP1505 El m’naouar, Oran (Algeria); Benkhettou, N.; Rached, D. [Laboratoire des Matériaux Magnétiques, Université Djillali Liabés, Sidi Bel-Abbes 22000 (Algeria)
2015-06-25
Highlights: • The ground state properties of SrUO{sub 3}-Perovskite were investigated. • Elastic constants and their related parameters were calculated. • Electronic properties are treated using GGA-PBEsol + U approach. - Abstract: In this paper, we investigate bulk properties of the cubic SrUO{sub 3}-Perovskite in their nonmagnetic (NM), antiferromagnetic (AFM) and ferromagnetic (FM) states using all-electron self consistent Full Potential Augmented Plane Waves plus local orbital (FP-(L)APW + lo) method within PBEsol Generalized Gradiant density approximations. Our calculation allowed us to predict that the more stable magnetic state of the cubic SrUO{sub 3}-Perovskite is that of the ferromagnetic (FM). This work is the first prediction of elastic constants and their related parameters (Young modulus, shear modulus, Poisson ratio, Zener anisotropy and the Debye temperature) for this cubic compound using Mehl method. We have employed the GGA(PBEsol) and GGA(PBEsol) + U to investigate the electronic band structure, density of states and electronic charge density of SrUO{sub 3}-Perovskite. The electronic band structure calculations revealed that SrUO{sub 3} exhibits metallic behavior. On the other hand the charge density plots for [1 1 0] direction indicates a strong ionic character along the Sr–O bond while the U–O bond has strong covalent character. Finally, we have analyzed the thermodynamic properties using the quasi-harmonic Debye model to complete the fundamental characterization of cubic SrUO{sub 3}-Perovskite.
Kim, Jeong Hun; Hwang, Ji-Young; Hwang, Ha Ryeon; Kim, Han Seop; Lee, Joong Hoon; Seo, Jae-Won; Shin, Ueon Sang; Lee, Sang-Hoon
2018-01-22
The development of various flexible and stretchable materials has attracted interest for promising applications in biomedical engineering and electronics industries. This interest in wearable electronics, stretchable circuits, and flexible displays has created a demand for stable, easily manufactured, and cheap materials. However, the construction of flexible and elastic electronics, on which commercial electronic components can be mounted through simple and cost-effective processing, remains challenging. We have developed a nanocomposite of carbon nanotubes (CNTs) and polydimethylsiloxane (PDMS) elastomer. To achieve uniform distributions of CNTs within the polymer, an optimized dispersion process was developed using isopropyl alcohol (IPA) and methyl-terminated PDMS in combination with ultrasonication. After vaporizing the IPA, various shapes and sizes can be easily created with the nanocomposite, depending on the mold. The material provides high flexibility, elasticity, and electrical conductivity without requiring a sandwich structure. It is also biocompatible and mechanically stable, as demonstrated by cytotoxicity assays and cyclic strain tests (over 10,000 times). We demonstrate the potential for the healthcare field through strain sensor, flexible electric circuits, and biopotential measurements such as EEG, ECG, and EMG. This simple and cost-effective fabrication method for CNT/PDMS composites provides a promising process and material for various applications of wearable electronics.
Directory of Open Access Journals (Sweden)
Gulebaglan Sinem Erden
2015-01-01
Full Text Available We performed first-principles calculations to obtain the electronic, optical, elastic, lattice-dynamical and thermodynamic properties of RbH compound with rock salt structure. The ground-state properties, i.e., the lattice constant and the band gap were investigated using a plane wave pseudopotential method within density functional theory. The calculated lattice constant, bulk modulus, energy band gap and elastic constants are reported and compared with previous theoretical and experimental results. Our calculated results and the previous results which are obtained from literature are in a good agreement. Moreover, real and imaginary parts of complex dielectric function, reflectivity spectrum, absorption, extinction coefficient and loss function as a function of photon energy and refractive index with respect to photon wavelength were calculated. In addition, temperature dependent thermodynamic properties such as Helmholtz free energy, internal energy, entropy and specific heat have been studied.
Effectiveness of electronic stability control on single-vehicle accidents
DEFF Research Database (Denmark)
Lyckegaard, Allan; Hels, Tove; Bernhoft, Inger Marie
2015-01-01
the injury severity categories (slight, severe, and fatal). Conclusions: In line with previous results, this study concludes that ESC reduces the risk for single-vehicle injury accidents by 31% when controlling for various confounding factors related to the driver, the car, and the accident surroundings......Objective: This study aims at evaluating the effectiveness of electronic stability control (ESC) on single-vehicle injury accidents while controlling for a number of confounders influencing the accident risk. Methods: Using police-registered injury accidents from 2004 to 2011 in Denmark with cars...... the following were significant. For the driver: Age, gender, driving experience, valid driving license, and seat belt use. For the vehicle: Year of registration, weight, and ESC. For the accident surroundings: Visibility, light, and location. Finally, for the road: Speed limit, surface, and section...
Vehicle rollover risk and electronic stability control systems.
MacLennan, P A; Marshall, T; Griffin, R; Purcell, M; McGwin, G; Rue, L W
2008-06-01
Electronic stability control (ESC) systems were developed to reduce motor vehicle collisions (MVCs) caused by loss of control. Introduced in Europe in 1995 and in the USA in 1996, ESC is designed to improve vehicle lateral stability by electronically detecting and automatically assisting drivers in unfavorable situations. To examine the relationship between vehicle rollover risk and presence of ESC using a large national database of MVCs. A retrospective cohort study for the period 1995 through 2006 was carried out using data obtained from the National Automotive Sampling System General Estimates System. All passenger cars and sport utility vehicles (SUVs)/vans of model year 1996 and later were eligible. Vehicle ESC (unavailable, optional, standard) was determined on the basis of make, model, and model year. Risk ratios (RRs) and 95% CIs were calculated to compare rollover risk by vehicle ESC group. For all crashes, vehicles equipped with standard ESC had decreased risk of rollover (RR = 0.62, 95% CI 0.50 to 0.77) compared with vehicles with ESC unavailable. The association was consistent for single-vehicle MVCs (RR = 0.61, 95% CI 0.46 to 0.82); passenger cars had decreased rollover risk (RR = 0.77, 95% CI 0.52 to 1.12), but SUVs/vans had a more dramatically decreased risk (RR = 0.40, 95% CI 0.26 to 0.61). This study supports previous results showing ESC to be effective in reducing the risk of rollover. ESC is more effective in SUVs/vans for rollovers related to single-vehicle MVCs.
International Nuclear Information System (INIS)
Bray, Igor; Konovalov, D.A.; McCarthy, I.E.
1991-04-01
A coupled-channel optical method for electron-atom scattering is applied to elastic electron-sodium scattering at energies of 20, 22.1, 54.4, 100, and 150 eV. It is demonstrated that the effect of all the inelastic channels on elastic scattering may be well reproduced by the 'ab initio' calculated complex non-local polarization potential. Whilst the experiments generally agree at small angles and therefore agree on the total elastic cross section, there is considerable discrepancy at intermediate and backward angles. 9 refs., 2 tabs., 1 fig
Salvat, Francesc; Jablonski, Aleksander; Powell, Cedric J.
2005-01-01
The FORTRAN 77 code system ELSEPA for the calculation of elastic scattering of electrons and positrons by atoms, positive ions and molecules is presented. These codes perform relativistic (Dirac) partial-wave calculations for scattering by a local central interaction potential V(r). For atoms and ions, the static-field approximation is adopted, with the potential set equal to the electrostatic interaction energy between the projectile and the target, plus an approximate local exchange interaction when the projectile is an electron. For projectiles with kinetic energies up to 10 keV, the potential may optionally include a semiempirical correlation-polarization potential to describe the effect of the target charge polarizability. Also, for projectiles with energies less than 1 MeV, an imaginary absorptive potential can be introduced to account for the depletion of the projectile wave function caused by open inelastic channels. Molecular cross sections are calculated by means of a single-scattering independent-atom approximation in which the electron density of a bound atom is approximated by that of the free neutral atom. Elastic scattering by individual atoms in solids is described by means of a muffin-tin model potential. Partial-wave calculations are feasible on modest personal computers for energies up to about 5 MeV. The ELSEPA code also implements approximate factorization methods that allow the fast calculation of elastic cross sections for much higher energies. The interaction model adopted in the calculations is defined by the user by combining the different options offered by the code. The nuclear charge distribution can be selected among four analytical models (point nucleus, uniformly charged sphere, Fermi's distribution and Helm's uniform-uniform distribution). The atomic electron density is handled in numerical form. The distribution package includes data files with electronic densities of neutral atoms of the elements hydrogen to lawrencium ( Z=1
Lardelli, Patrizia; Frech-Dörfler, Martina; Holland-Cunz, Stefan; Mayr, Johannes
2016-03-01
Stabilization of diaphyseal long-bone fractures using elastic stable intramedullary nails (ESIN) in children promises early mobilization and rapid resumption of full weight bearing. We evaluated the duration of postoperative functional rehabilitation after ESIN, measured by the time from stabilization until first partial weight bearing, full weight bearing, and resumption of school sports. Fifty children with unstable, displaced fractures of the femur or lower leg treated with ESIN between 2002 and 2012 were included in this retrospective analysis. We classified fractures according to the pediatric comprehensive classification of fractures (PCCF). Thirty-five children sustained a femur fracture, and 15 children had a fracture of the lower leg or tibia. The surgeons in charge applied an additional plaster cast in 7 of 15 children who suffered a lower leg fracture. The postoperative time interval until full weight bearing in the group of children who had suffered transverse or short oblique femur fractures was significantly shorter (median: 4.4 weeks; range: 0.1-9.1 weeks) than that in the group who had sustained more complex fracture patterns (median: 6.8 weeks; range: 2.9-13.9 weeks; P = 0.04). Similarly, transverse and short oblique lower leg and tibia fractures required less time until full weight bearing (median: 4.1 weeks; range 2.7-6.0 weeks) than complex lower leg fractures (median: 6.1 weeks; range: 1.3-12.9 weeks; P = 0.04). ESIN proved fairly effective in restoring full weight bearing in transverse or short oblique fractures of the lower extremities but was less effective in complex fractures.
Dispersion relation for elastic electron-hydrogen atom forward scattering amplitude
International Nuclear Information System (INIS)
Kuchiev, M.Yu.; Amusia, M.Ya.
1978-01-01
The elastic e+H forward scattering amplitude is an analytical function in the complex energy E plane and has two cuts on the real axis: 0 < E < infinity and -infinity < E < -B, B being the hydrogen ionization potential. The e+H dispersion relation contains two integrals over the right and left cuts. (Auth.)
International Nuclear Information System (INIS)
Hummel, E.; Tjon, J.A.
1989-01-01
Using the one-boson-exchange model a relativistic covariant analysis is carried out of the elastic electromagnetic form factors of the deuteron including the ρπγ and ωεγ mesonic-exchange-current contributions. The theoretical predictions are compared with the recent experimental data at high momentum transfer
Limit on flavor-changing neutral currents from a measurement of neutrino-electron elastic scattering
International Nuclear Information System (INIS)
Krakauer, D.A.; Talaga, R.L.; Allen, R.C.; Chen, H.H.; Hausammann, R.; Lee, W.P.; Lu, X.; Mahler, H.J.; Wang, K.C.; Bowles, T.J.; Burman, R.L.; Carlini, R.D.; Cochran, D.R.F.; Doe, P.J.; Frank, J.S.; Potter, M.E.; Sandberg, V.D.; Piasetzky, E.
1992-01-01
From a measurement of the absolute cross section in ν ee - elastic scattering we have set a limit on flavor-changing neutral currents in the neutrino sector. We find that an off-diagonal, flavor-changing coupling is limited to 1-f ee <0.35 (90% C.L.)
Energy Technology Data Exchange (ETDEWEB)
Sahmani, Saeid; Bahrami, Mohsen [Amirkabir University of Technology, Tehran (Iran, Islamic Republic of)
2015-01-15
In the current paper, dynamic stability analysis of microbeams subjected to piezoelectric voltage is presented in which the microbeam is integrated with piezoelectric layers on the lower and upper surfaces. Both of the flutter and divergence instabilities of microbeams with clamped-clamped and clamped-free boundary conditions are predicted corresponding to various values of applied voltage. To take size effect into account, the classical Timoshenko beam theory in conjunction with strain gradient elasticity theory is utilized to develop nonclassical beam model containing three additional internal length scale parameters. By using Hamilton's principle, the higher-order governing differential equations and associated boundary conditions are derived. Afterward, generalized differential quadrature method is employed to discretize the size-dependent governing differential equations along with clamped-clamped and clamped-free end supports. The critical piezoelectric voltages corresponding to various values dimensionless length scale parameter are evaluated and compared with those predicted by the classical beam theory. It is revealed that in the case of clamped-free boundary conditions, the both of flutter and divergence instabilities occur. However, for the clamped-clamped microbeams, only divergence instability takes place.
FP-(LAPW + lo study of mechanical stability and electronic behavior of CoGe in B20 structure
Directory of Open Access Journals (Sweden)
Timaoui M. A.
2017-10-01
Full Text Available The aim of this work is a theoretical study of structural, elastic, electronic and thermal properties of CoGe compound in B20 structure using All-electron self-consistent Full Potential Augmented Plane Waves plus local orbital “FP(LAPW + lo” within the framework of Density Functional Theory DFT. GGA-PBEsol is the exchange-correlation potential selected in this work. This choice is motivated by the success of this functional in predicting structural and mechanical properties of solids. The values obtained by the study of structural properties are in very good agreement with those found previously. In this work, the elastic constants have been predicted for the first time and the obtained values confirm the mechanical stability of the CoGe compound in its B20 structure. The electronic part of this work shows that CoGe has metallic behavior with a mixed bonding between cobalt and germanium of covalent-metallic type. The effect of temperature and hydrostatic pressure on the lattice parameter - a0, heat capacity at constant volume - CV, thermal expansion coefficient - α and entropy - S of the CoGe have been studied using Debye model.
Erum, Nazia; Azhar Iqbal, Muhammad
2017-09-01
The effect of pressure variation on stability, structural parameters, elastic constants, mechanical, electronic and thermodynamic properties of cubic SrKF3 fluoroperovskite have been investigated by using the full-potential linearized augmented plane wave (FP-LAPW) method combined with Quasi-harmonic Debye model in which the phonon effects are considered. The calculated lattice parameters show a prominent decrease in lattice constant and bonds length with the increase in pressure. The application of pressure from 0 to 25 GPa reveals a predominant characteristic associated with widening of bandgap with GGA and GGA plus Tran-Blaha modified Becke-Johnson (TB-mBJ) potential. The influence of pressure on elastic constants and their related mechanical parameters have been discussed in detail. Apart of linear dependence of elastic coefficients, transition from brittle to ductile behavior is also observed at elevated pressure ranges. We have successfully computed variation of lattice constant, volume expansion, bulk modulus, Debye temperature and specific heat capacities at pressure and temperature in the range of 0-25 GPa and 0-600 K.
Co-simulation of heavy truck tire dynamics and electronic stability control systems (phase A).
2009-07-01
Electronic stability control (ESC) systems have been proven to be an effective means of preventing instability and loss of control on both passenger vehicles and heavy trucks. In addition, roll stability algorithms are an effective means of reducing ...
Energy Technology Data Exchange (ETDEWEB)
Li, Ji-Hong [Sichuan Univ., Chengdu (China). Inst. of Atomic and Molecular Physics; Longdong Univ., Qingyang (China). College of Physics and Electronic Engineering; Zhu, Xu-Hui [Sichuan Univ., Chengdu (China). Inst. of Atomic and Molecular Physics; Cheng, Yan [Sichuan Univ., Chengdu (China). Inst. of Atomic and Molecular Physics; Sichuan Univ., Chengdu (China). Key Laboratory of High Energy Density Physics and Technology of Ministry of Education; Ji, Guang-Fu [Chinese Academy of Engineering Physics, Mianyang (China). National Key Laboratory of Shock Wave and Detonation Physics
2015-07-01
Based on the first-principles density functional theory calculations combined with the quasi-harmonic Debye model, the pressure dependencies of the structural, elastic, electronic and thermal properties of Li{sub 2}AgSb were systematically investigated. The calculated lattice parameters and unit cell volume of Li{sub 2}AgSb at the ground state were in good agreement with the available experimental data. The obtained elastic constants, the bulk modulus and the shear modulus revealed that Li{sub 2}AgSb is mechanically stable and behaves in a ductile manner under the applied pressure. The elasticity-relevant properties, the Young's modulus and the Poisson's ratio showed that pressure can enhance the stiffness of Li{sub 2}AgSb and that Li{sub 2}AgSb is mechanically stable up to 20 GPa. The characteristics of the band structure and the partial density of states of Li{sub 2}AgSb were analysed, showing that Li{sub 2}AgSb is a semiconductor with a direct band gap of 217 meV at 0 GPa and that the increasing pressure can make the band structure of Li{sub 2}AgSb become an indirect one. Studies have shown that, unlike temperature, pressure has little effect on the heat capacity and the thermal expansion coefficient of Li{sub 2}AgSb.
Elastic electron scattering from 14N, 15N, 16O and 18O at small momentum transfer
International Nuclear Information System (INIS)
Schuetz, W.
1973-01-01
At the Darmstadt linear accelerator, cross-sections for the elastic scattering of electrons on 14 N and 16 O relative to the proton and on 15 N and 18 O relative to 14 N and 16 O were measured at energies 30 MeV 0 0 (q 2 -2 ). The experiments were done with gas targets, the target containers being thin-walled aluminium cylinders. The data were evaluated by means of the partial-wave method assuming a charge distribution according to the shell model. (orig./WL) [de
Novel silicon allotropes: Stability, mechanical, and electronic properties
Energy Technology Data Exchange (ETDEWEB)
Fan, Qingyang; Chai, Changchun; Zhao, Yingbo; Yang, Yintang; Yu, Xinhai; Liu, Yang; Zhang, Junqin [Key Laboratory of Ministry of Education for Wide Band-Gap Semiconductor Materials and Devices, School of Microelectronics, Xidian University, Xi' an 710071 (China); Wei, Qun, E-mail: weiaqun@163.com; Yao, Ronghui [School of Physics and Optoelectronic Engineering, Xidian University, Xi' an 710071 (China); Yan, Haiyan [College of Chemistry and Chemical Engineering, Baoji University of Arts and Sciences, Baoji 721013 (China); Xing, Mengjiang [Faculty of Information Engineering and Automation, Kunming University of Science and Technology, Kunming 650051 (China)
2015-11-14
One quasi-direct gap phase (Amm2) and three indirect gap phases (C2/m-16, C2/m-20, and I-4) of silicon allotropes are proposed. The detailed theoretical study on the structure, density of states, elastic properties, sound velocities, and Debye temperature of these four phases is carried out by using first principles calculations. The elastic constants of these four phases are calculated by strain-stress method. The elastic constants and the phonon calculations manifest all novel silicon allotropes in this paper are mechanically and dynamically stable at ambient condition. The B/G values indicate that these four phases of silicon are brittle materials at ambient pressure. The anisotropy properties show that C2/m-20 phase exhibits a larger anisotropy in its elastic modulus, shear elastic anisotropic factors, and several anisotropic indices than others. We have found that the Debye temperature of the four novel silicon allotropes gradually reduces in the order of C2/m-20 > Amm2 > C2/m-16 > I-4 at ambient pressure.
Energy Technology Data Exchange (ETDEWEB)
Wang, Yuezhong, E-mail: wyzphysics@163.com [Department of Physics and Key Laboratory for Radiation Physics and Technology of Ministry of Education, Sichuan University, Chengdu 610064 (China); Tianjin Jinhang Institute of Technical Physics, Tianjin 300192 (China); Lu, Tiecheng, E-mail: lutiecheng@scu.edu.cn [Department of Physics and Key Laboratory for Radiation Physics and Technology of Ministry of Education, Sichuan University, Chengdu 610064 (China); International Center for Material Physics, Chinese Academy of Sciences, Shenyang 110015 (China); Zhang, Rongshi [Tianjin Jinhang Institute of Technical Physics, Tianjin 300192 (China); Jiang, Shengli; Qi, Jianqi; Wang, Ying [Department of Physics and Key Laboratory for Radiation Physics and Technology of Ministry of Education, Sichuan University, Chengdu 610064 (China); Chen, Qingyun [Department of Physics and Key Laboratory for Radiation Physics and Technology of Ministry of Education, Sichuan University, Chengdu 610064 (China); National Defense Key Discipline Laboratory of Nuclear Waste and Environmental Safety, Southwest University of Science and Technology, Mianyang 621010 (China); Miao, Naihua [Physique Theorique des Materiaux, Universite de Liege, Sart Tilman B-4000 (Belgium); He, Duanwei [Institute of Atomic and Molecular Physics, Sichuan University, Chengdu 610064 (China)
2013-01-25
Highlights: Black-Right-Pointing-Pointer We reassess the chemical bonding character of {gamma}-AlON which shows strong ionicity. Black-Right-Pointing-Pointer {gamma}-AlON single-crystals exhibit highly elastic anisotropy. Black-Right-Pointing-Pointer The thermodynamic properties are investigated in a wider temperature/pressure range. Black-Right-Pointing-Pointer {gamma}-AlON is an O/N partially disordered structure. - Abstract: Spinel aluminium oxynitride ({gamma}-AlON), as a kind of transparent ceramic material expectable, is studied using the ab initio density functional method, in terms of electronic, elastic, thermodynamic properties and structure disorder. The results show that {gamma}-AlON exhibits strong ionicity, as quantitatively expressed by (Al{sub O}{sup 2.43+}){sub 15}(Al{sub T}{sup 2.41+}){sub 8}(O{sup 1.64-}){sub 27}(N{sup 2.27-}){sub 5} from our reassessment of the ionic character. We summarize and speculate that the considered oxynitride single-crystals exhibit highly elastic anisotropy. The interpretation of the thermodynamic properties of {gamma}-AlON according to quasi-harmonic Debye model confirm the available experiments and are extended to a wider temperature/pressure range. This material holds high elastic strength under extreme environments, where dB/dT absolute value is less than 0.03 GPa/K, independent of the pressure. Finally, we study the O/N structure disorder character of {gamma}-AlON solid solution by investigating nine possible crystal structures. It is found that {gamma}-AlON should be partially disordered, and in fact, the O/N ordering has a significant effect on the properties.
International Nuclear Information System (INIS)
Wang, Yuezhong; Lu, Tiecheng; Zhang, Rongshi; Jiang, Shengli; Qi, Jianqi; Wang, Ying; Chen, Qingyun; Miao, Naihua; He, Duanwei
2013-01-01
Highlights: ► We reassess the chemical bonding character of γ-AlON which shows strong ionicity. ► γ-AlON single-crystals exhibit highly elastic anisotropy. ► The thermodynamic properties are investigated in a wider temperature/pressure range. ► γ-AlON is an O/N partially disordered structure. - Abstract: Spinel aluminium oxynitride (γ-AlON), as a kind of transparent ceramic material expectable, is studied using the ab initio density functional method, in terms of electronic, elastic, thermodynamic properties and structure disorder. The results show that γ-AlON exhibits strong ionicity, as quantitatively expressed by (Al O 2.43+ ) 15 (Al T 2.41+ ) 8 (O 1.64- ) 27 (N 2.27- ) 5 from our reassessment of the ionic character. We summarize and speculate that the considered oxynitride single-crystals exhibit highly elastic anisotropy. The interpretation of the thermodynamic properties of γ-AlON according to quasi-harmonic Debye model confirm the available experiments and are extended to a wider temperature/pressure range. This material holds high elastic strength under extreme environments, where dB/dT absolute value is less than 0.03 GPa/K, independent of the pressure. Finally, we study the O/N structure disorder character of γ-AlON solid solution by investigating nine possible crystal structures. It is found that γ-AlON should be partially disordered, and in fact, the O/N ordering has a significant effect on the properties.
International Nuclear Information System (INIS)
Tane, M.; Hagihara, K.; Ueda, M.; Nakano, T.; Okuda, Y.
2016-01-01
Changes in the elastic properties during room-temperature aging (RT aging) of metastable Ti–Nb-based alloy single crystals with low body-centered cubic (bcc)-phase stability were investigated. The elastic stiffness components of Ti–Nb–Ta–Zr alloys with different Nb concentrations were measured by resonant ultrasound spectroscopy during RT aging; the results revealed that shear moduli c ′ and c 44 were increased by RT aging. In the alloy with the lowest Nb concentration, i.e., with the lowest bcc phase stability, shear moduli c ′ and c 44 were enhanced by the largest amount. The increase rates were ∼5% for 1.1 × 10 7 s (127 days), whereas the bulk modulus was hardly changed by aging. In Ti–Nb–Ta–Zr–O alloys with different oxygen concentrations, shear moduli c ′ and c 44 of the alloy with the lowest oxygen concentration increased most significantly. Moreover, the electrical resistivity of Ti–Nb–Ta–Zr and Ti–Nb–Ta–Zr–O alloys was increased by RT aging. Importantly, the enhancements of shear moduli and electrical resistivity were suppressed by increases in the bcc-phase stability (i.e., increase in the Nb concentration) and oxygen concentration; these factors are known to suppress ω (hexagonal) phase formation. However, transmission electron microscopy (TEM) observations revealed that only a diffuse ω structure—an ω-like lattice distortion—was formed after RT aging. On the basis of alloying element effects, TEM observations, and analysis of the changes in elastic properties by using a micromechanics model, it was deduced that the enhancements of shear moduli and electrical resistivity were possibly caused by the formation of a diffuse ω structure.
Czech Academy of Sciences Publication Activity Database
Hemzalová, P.; Friák, Martin; Šob, Mojmír; Ma, D.; Udyansky, A.; Raabe, D.; Neugebauer, J.
2013-01-01
Roč. 88, č. 17 (2013), Art. no. 174103 ISSN 1098-0121 R&D Projects: GA ČR(CZ) GAP108/12/0311; GA ČR GD106/09/H035; GA AV ČR IAA100100920 Institutional support: RVO:68081723 Keywords : nitrides * ab initio * thermodynamics * elasticity Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 3.664, year: 2013
Energy Technology Data Exchange (ETDEWEB)
Bäcke, Olof, E-mail: obacke@chalmers.se [Department of Applied Physics, Chalmers University of Technology, 41296 Göteborg (Sweden); Lindqvist, Camilla; Diaz de Zerio Mendaza, Amaia [Department of Chemistry and Chemical Engineering, Chalmers University of Technology, 41296 Göteborg (Sweden); Gustafsson, Stefan [Department of Applied Physics, Chalmers University of Technology, 41296 Göteborg (Sweden); Wang, Ergang; Andersson, Mats R.; Müller, Christian [Department of Chemistry and Chemical Engineering, Chalmers University of Technology, 41296 Göteborg (Sweden); Kristiansen, Per Magnus [Institute of Polymer Nanotechnology (INKA), FHNW University of Applied Science and Arts Northwestern Switzerland, 5210 Windisch (Switzerland); Laboratory for Micro- and Nanotechnology, Paul Scherrer Institute, 5232 Villigen (Switzerland); Olsson, Eva, E-mail: eva.olsson@chalmers.se [Department of Applied Physics, Chalmers University of Technology, 41296 Göteborg (Sweden)
2017-05-15
We show by in situ microscopy that the effects of electron beam irradiation during transmission electron microscopy can be used to lock microstructural features and enhance the structural thermal stability of a nanostructured polymer:fullerene blend. Polymer:fullerene bulk-heterojunction thin films show great promise for use as active layers in organic solar cells but their low thermal stability is a hindrance. Lack of thermal stability complicates manufacturing and influences the lifetime of devices. To investigate how electron irradiation affects the thermal stability of polymer:fullerene films, a model bulk-heterojunction film based on a thiophene-quinoxaline copolymer and a fullerene derivative was heat-treated in-situ in a transmission electron microscope. In areas of the film that exposed to the electron beam the nanostructure of the film remained stable, while the nanostructure in areas not exposed to the electron beam underwent large phase separation and nucleation of fullerene crystals. UV–vis spectroscopy shows that the polymer:fullerene films are stable for electron doses up to 2000 kGy. - Highlights: • Thermal stability of a polymer: fullerne blend is increased using electron irradiation. • Using in-situ transmission electron microscopy the nanostructure is studied. • Electron irradiation stops phase separation between the polymer and fullerene. • Electron irradiation quenches the formation and nucleation of fullerene crystals.
Driver, K. P.; Cohen, R. E.; Wu, Z.; Militzer, B.; Ríos, P. L.; Towler, M. D.; Needs, R. J.; Wilkins, J. W.
2011-12-01
Silica (SiO2) is an abundant component of the Earth whose crystalline polymorphs play key roles in its structure and dynamics. First principle density functional theory (DFT) methods have often been used to accurately predict properties of silicates, but fundamental failures occur. Such failures occur even in silica, the simplest silicate, and understanding pure silica is a prerequisite to understanding the rocky part of the Earth. Here, we study silica with quantum Monte Carlo (QMC), which until now was not computationally possible for such complex materials, and find that QMC overcomes the failures of DFT. QMC is a benchmark method that does not rely on density functionals but rather explicitly treats the electrons and their interactions via a stochastic solution of Schrödinger's equation. Using ground-state QMC plus phonons within the quasiharmonic approximation of density functional perturbation theory, we obtain the thermal pressure and equations of state of silica phases up to Earth's core-mantle boundary. Our results provide the best constrained equations of state and phase boundaries available for silica. QMC indicates a transition to the dense α-PbO2 structure above the core-insulating D" layer, but the absence of a seismic signature suggests the transition does not contribute significantly to global seismic discontinuities in the lower mantle. However, the transition could still provide seismic signals from deeply subducted oceanic crust. We also find an accurate shear elastic constant for stishovite and its geophysically important softening with pressure.
Energy Technology Data Exchange (ETDEWEB)
Rached, H., E-mail: habib_rached@yahoo.fr [Laboratoire des Matériaux Magnétiques, Faculté des Sciences Exactes, Université Djillali Liabès de Sidi Bel-Abbès, Sidi Bel-Abbès, 22000 (Algeria); Département de Physique, Faculté des Sciences Exactes et Informatique, Université Hassiba BenBouali de Chlef, Chlef, 02000 (Algeria); Bendaoudia, S. [Laboratoire des Matériaux Magnétiques, Faculté des Sciences Exactes, Université Djillali Liabès de Sidi Bel-Abbès, Sidi Bel-Abbès, 22000 (Algeria); Rached, D., E-mail: rachdj@yahoo.fr [Laboratoire des Matériaux Magnétiques, Faculté des Sciences Exactes, Université Djillali Liabès de Sidi Bel-Abbès, Sidi Bel-Abbès, 22000 (Algeria)
2017-06-01
The main goal of the present work is to obtain report on the magnetic phase stability, mechanical, electronic and optical properties of double perovskite oxides Pb{sub 2}FeMO{sub 6} (M = Mo, Re and W) by employing the ab-initio plane-wave method, based on the density functional theory (DFT). The exchange-correlation (XC) energy of electrons was treated using the Perdew–Burke–Ernzerhof parametrization. The ground-state electronic properties for different magnetic configurations were calculated. The formation enthalpies has been evaluated in order to determinate the stability of our compounds. The independent elastic constants and the related mechanical properties are investigated. The electronic structure calculation reveal the half-metallic ferrimagnets (FiM-HM) for all investigated compounds. The optical constants as the dielectric function, refractive index, optical reflectivity and absorption coefficient were calculated and discussed in detail. Therefore, our compounds are identified as potential candidates for spintronic applications and high performance electronic devices. - Highlights: • Based on the DFT calculation, the Pb{sub 2}FeMO{sub 6} (M = Mo, Re and W) compounds have been investigated. • The ground-state properties are predicted. • The mechanical properties reveals that these compounds are stable against any elastic deformations. • The electronic structures reveals the half-metallic ferrimagnets (FiM-HM) for all investigated compounds.
International Nuclear Information System (INIS)
Elhandi, S.; Taj, S.; Attaourti, Y.; Manaut, B.; Oufni, L.
2010-01-01
The effect of the electron's anomalous magnetic moment on the relativistic electronic dressing for the process of electron-hydrogen atom elastic collisions is investigated. We consider a laser field with circular polarization and various electric field strengths. The Dirac-Volkov states taking into account this anomaly are used to describe the process in the first order of perturbation theory. The correlation between the terms coming from this anomaly and the electric field strength gives rise to the strong dependence of the spinor part of the differential cross section (DCS) with respect to these terms. A detailed study has been devoted to the nonrelativistic regime as well as the moderate relativistic regime. Some aspects of this dependence as well as the dynamical behavior of the DCS in the relativistic regime have been addressed.
Evaluation of electronic stability control effectiveness in Australasia.
Scully, Jim; Newstead, Stuart
2008-11-01
Electronic stability control (ESC) is an in-vehicle technology aimed at improving primary safety by assisting the driver in avoiding loss of control of the vehicle. The aim of this study was to use available crash data from Australia and New Zealand to evaluate the effectiveness of ESC in reducing crash risk and to establish whether benefits estimated from overseas studies have translated to the Australian and New Zealand environments. The sample analysed included 7699 crashed vehicles fitted with ESC which comprised of 90 different models. Poisson regression was used to test whether the differences in the observed and expected crash counts for ESC fitted vehicles were significant, with exposure being induced from counts of rear end impacts. It was found that ESC reduced the risk of single vehicle crashes in which the driver was injured by 68% for 4WDs compared with 27% for passenger cars. The effect of ESC on multiple vehicle crashes in Australia and New Zealand was not clear. The long-term benefits of fitting ESC to all vehicles in Australia were also investigated based on the estimated single vehicle crash reductions.
Is electronic stability program effective on French roads?
Page, Yves; Cuny, Sophie
2006-03-01
This paper proposes an evaluation of the effectiveness of the electronic stability program (ESP) in terms of reduction of injury accidents in France. The method consists of 3 steps: The identification, in the French National injury accident census, of accident-involved cars for which the determination of whether or not the car was fitted with ESP is possible. A sampler of 136 cars involved in injury accidents occurred in 2000, 2001, 2002 and 2003 was then selected. But we had to restrict the analysis to only 588 Renalut Laguna's. The identification of accident situations for which we can determine whether or not ESP is pertinent ( for example ESP is pertinent for loss of control accidents whilst it is not for cars pulling out of a junction). The calculation, via a logistic regression, of the relative risk of being involved in an ESP-pertinent accident for ESP equipped cars versus unequipped cars, divided by the relative risk of being involved in a non-ESP-pertinent accident for ESP equipped cars versus unequipped cars. This relative risk is assumed to be the best estimator of ESP effectiveness. The arguments for such a method, effectiveness indicator and implicit hypothesis are presented and discussed in the paper. Based on a few assumptions, ESP is proved to be likely effective. Currently, the relative risk of being involved in an ESP-pertinent accident for ESP-equipped cars is lower (-44%, although not statistically significant) than for other cars.
Car drivers' perceptions of electronic stability control (ESC) systems.
Vadeby, Anna; Wiklund, Mats; Forward, Sonja
2011-05-01
As a way to reduce the number of car crashes different in-car safety devices are being introduced. In this paper one such application is being investigated, namely the electronic stability control system (ESC). The study used a survey method, including 2000 private car drivers (1000 driving a car with ESC and 1000 driving a car without ESC). The main objective was to investigate the effect of ESC on driver behaviour. Results show that drivers report that they drive even more carelessly when they believe that they have ESC, than when they do not. Men are more risk prone than women and young drivers more than older drivers. Using the theory of planned behaviour the results show that attitude, subjective norm and perceived control explain between 62% and 67% of driver's variation of intentions to take risks. When descriptive norm was added to the model a small but statistically significant increase was found. The study also shows that more than 35% erroneously believe that their car is equipped with an ESC system. These findings may suggest that driver behaviour could reduce the positive effect ESC has on accidents. It also shows that drivers who purchase a new car are not well informed about what kind of safety devices the car is equipped with. These findings highlight the need for more targeted information to drivers. Copyright © 2010 Elsevier Ltd. All rights reserved.
Directory of Open Access Journals (Sweden)
Jaroszewicz Jerzy
2018-01-01
Full Text Available The work is devoted to methods of analysis of vibrations and stability of discrete-continuous, multi-parameter models of beams, shafts, rotors, vanes, converting to homogeneous and one-dimensional. The properties of Cauchy's influence function and the characteristic series method were used to solve the boundary problem. It has been shown that the methods are an effective tool for solving boundary problems described by ordinary fourth-and second-order differential equations with variable parameters. Particular attention should be paid to the solution of the border problem of two-parameter elastic systems with variable distribution of parameters. Universal beam-specific equations with typical support conditions including vertical support, which do not depend on beam shape and axial load type, are recorded. The shape and type of load are considered in the form of an impact function that corresponds to any change in cross-section of the support and continuous axial load, so that the functions describing the stiffness, the mass and the continuous load are complete. As a result of the solution of the boundary vibration problem of freely bent support and any change in its cross-section, loaded with any longitudinal load, arranged on the resilient substrate, strict relations between the own frequency parameters and the load parameters were derived. Using the methods, simple calculations were made, easy to use in engineering practice and conditions of use were given. Experimental studies have confirmed the high accuracy of theoretical calculations using the proposed methods and formulas.
K, Rajamallu; Niranjan, Manish K.; Ameyama, Kei; Dey, Suhash R.
2017-12-01
Alloying effects of Zr and Sn on β phase stability and elastic properties in Ti-Nb alloys are investigated within the framework of first-principles density functional theory. Our results suggest that the stability of β phase can be significantly enhanced by the addition of Zr and Sn in Ti-Nb alloys. The computed results indicate that Zr and Sn behave as strong β stabilizers in the Ti-Nb system. The elastic properties are found to be altered considerably by the addition of ternary alloying elements (Zr and Sn). The computed elastic moduli of Ti18.75 at%Nb6.25 at%Zr and Ti25 at%NbxZr compositions are found to be lower than that for Ti18.75 at%Nb6.25 at%Sn and Ti25 at%NbxSn system. The lowest value of ˜54 GPa is obtained for Ti25 at%Nb6.25 at%Zr composition. Furthermore, the directional Young’s modulus is found to be in the order of E 100 system.
International Nuclear Information System (INIS)
Chida, Koichi; Zuguchi, Masayuki; Saito, Haruo; Takai, Yoshihiro; Mitsuya, Masatoshi; Sakakida, Hideharu; Yamada, Shogo; Kohzuki, Masahiro
2002-01-01
Information on electron energy is important in planning radiation therapy using electrons. The Geske 3405 electron beam energy monitor (Geske monitor, PTW Nuclear Associates, Carle Place, NY, USA) is a device containing nine ionization chambers for checking the energy of the electron beams produced by radiotherapy accelerators. We wondered whether this might increase the likelihood of ionization chamber trouble. In spite of the importance of the stability of such a quality assurance (QA) device, there are no reports on the stability of values measured with a Geske monitor. The purpose of this paper was therefore to describe the stability of a Geske monitor. It was found that the largest coefficient of variation (CV) of the Geske monitor measurements was approximately 0.96% over a 21-week period. In conclusion, the stability of Geske monitor measurements of the energy of electron beams from a linear accelerator was excellent. (author)
International Nuclear Information System (INIS)
Babu, K Ramesh; Vaitheeswaran, G
2014-01-01
We report a systematic first principles density functional study on the electronic structure, elastic and optical properties of nitrogen based solid hydrogen storage materials LiNH 2 , NaNH 2 , KNH 2 , and RbNH 2 . The ground state structural properties are calculated by using standard density functional theory, and also dispersion corrected density functional theory. We find that van der Waals interactions are dominant in LiNH 2 whereas they are relatively weak in other alkali metal amides. The calculated elastic constants show that all the compounds are mechanically stable and LiNH 2 is found to be a stiffer material among the alkali metal amides. The melting temperatures are calculated and follow the order RbNH 2 2 2 2 . The electronic band structure is calculated by using the Tran–Blaha modified Becke–Johnson potential and found that all the compounds are insulators, with a considerable band gap. The [NH 2 ] − derived states completely dominate in the entire valence band region while the metal atom states occupy the conduction band. The calculated band structure is used to analyze the different interband optical transitions occurring between valence and conduction bands. Our calculations show that these materials have considerable optical anisotropy. (paper)
Stabilizing effects of hot electrons on low frequency plasma drift waves
International Nuclear Information System (INIS)
Huang Chaosong; Qiu Lijian; Ren Zhaoxing
1988-01-01
The MHD equation is used to study the stabilization of low frequency drift waves driven by density gradient of plasma in a hot electron plasma. The dispersion relation is derived, and the stabilizing effects of hot electrons are discussed. The physical mechanism for hot electron stabilization of the low frequency plasma perturbations is charge uncovering due to the hot electron component, which depends only on α, the ratio of N h /N i , but not on the value of β h . The hot electrons can reduce the growth rate of the interchange mode and drift wave driven by the plasma, and suppress the enomalous plasma transport caused by the drift wave. Without including the effectof β h , the stabilization of the interchange mode requires α≅2%, and the stabilization of the drift wave requires α≅40%. The theoretical analyses predict that the drift wave is the most dangerous low frequency instability in the hot electron plasma
Directory of Open Access Journals (Sweden)
Hui Niu
2012-09-01
Full Text Available Systematic first-principles calculations based on density functional theory were performed on a wide range of Ln2TiO5 compositions (Ln = La, Ce, Pr, Nd, Sm, Gd, Tb, Dy and Y in order to investigate their structural, elastic, electronic, and thermal properties. At low temperature, these compounds crystallize in orthorhombic structures with a Pnma symmetry, and the calculated equilibrium structural parameters agree well with experimental results. A complete set of elastic parameters including elastic constants, Hill's bulk moduli, Young's moduli, shear moduli and Poisson's ratio were calculated. All Ln2TiO5 are ductile in nature. Analysis of densities of states and charge densities and electron localization functions suggests that the oxide bonds are highly ionic with some degree of covalency in the Ti-O bonds. Thermal properties including the mean sound velocity, Debye temperature, and minimum thermal conductivity were obtained from the elastic constants.
Directory of Open Access Journals (Sweden)
T. Chourushi
2017-01-01
Full Text Available Viscoelastic fluids due to their non-linear nature play an important role in process and polymer industries. These non-linear characteristics of fluid, influence final outcome of the product. Such processes though look simple are numerically challenging to study, due to the loss of numerical stability. Over the years, various methodologies have been developed to overcome this numerical limitation. In spite of this, numerical solutions are considered distant from accuracy, as first-order upwind-differencing scheme (UDS is often employed for improving the stability of algorithm. To elude this effect, some works been reported in the past, where high-resolution-schemes (HRS were employed and Deborah number was varied. However, these works are limited to creeping flows and do not detail any information on the numerical stability of HRS. Hence, this article presents the numerical study of high shearing contraction flows, where stability of HRS are addressed in reference to fluid elasticity. Results suggest that all HRS show some order of undue oscillations in flow variable profiles, measured along vertical lines placed near contraction region in the upstream section of domain, at varied elasticity number E≈5. Furthermore, by E, a clear relationship between numerical stability of HRS and E was obtained, which states that the order of undue oscillations in flow variable profiles is directly proportional to E.
Energy Technology Data Exchange (ETDEWEB)
Tamer, M., E-mail: mehmet.tamer@zirve.edu.tr [Zirve University Faculty of Education, 27260, Gaziantep (Turkey)
2016-06-15
Structural, optical and electronic properties and elastic constants of Cd1{sub -x-y}Zn{sub x} Hg{sub y}Te alloys have been studied by employing the commercial code Castep based on density functional theory. The generalized gradient approximation and local density approximation were utilized as exchange correlation. Using elastic constants for compounds, bulk modulus, band gap, Fermi energy and Kramers–Kronig relations, dielectric constants and the refractive index have been found through calculations. Apart from these, X-ray measurements revealed elastic constants and Vegard’s law. It is seen that results obtained from theory and experiments are all in agreement.
Frabboni, Stefano; Gazzadi, Gian Carlo; Grillo, Vincenzo; Pozzi, Giulio
2015-07-01
Modern nanotechnology tools allowed us to prepare slits of 90 nm width and 450 nm spacing in a screen almost completely opaque to 200 keV electrons. Then by covering both slits with a layer of amorphous material and carrying out the experiment in a conventional transmission electron microscope equipped with an energy filter we can demonstrate that the diffraction pattern, taken by selecting the elastically scattered electrons, shows the presence of interference fringes, but with a bimodal envelope which can be accounted for by taking into account the non-constant thickness of the deposited layer. However, the intensity of the inelastically scattered electrons in the diffraction plane is very broad and at the limit of detectability. Therefore the experiment was repeated using an aluminum film and a microscope also equipped with a Schottky field emission gun. It was thus possible to observe also the image due to the inelastically scattered electron, which does not show interference phenomena both in the Fraunhofer or Fresnel regimes. If we assume that inelastic scattering through the thin layer covering the slits provides the dissipative process of interaction responsible for the localization mechanism, then these experiments can be considered a variant of the Feynman which-way thought experiment. Copyright © 2015 Elsevier B.V. All rights reserved.
International Nuclear Information System (INIS)
Galambos, J.D.
1983-01-01
The effects of Nuclear Elastic Scattering (NES) of fusion products and modifications of the ion-electron equilibration power on D-T and D-based advanced-fuel fusion plasmas are presented here. The processes causing the modifications to the equilibration power included here are: (1) depletion of low-energy electrons by Coulomb collisions with the ions; and (2) magnetic field effects on the energy transfer between the ions and the electrons. Both NES and the equilibration modifications affect the flow of power to the plasma ions, which is an important factor in the analysis of advanced-fuels. A Hot Ion Mode (HIM) analysis was used to investigate the changes in the minimum ignition requirements for Cat-D and D- 3 He plasmas, due to the changes in the allowable T/sub i/T/sub e/ for ignition from NES and equilibration modifications. Both of these effects have the strongest influence on the ignition requirements for high temperature (>50 keV), low beta (<15%) plasmas, where the cyclotron radiation power loss from the electrons (which is particularly sensitive to changes in the electron temperature) is large
International Nuclear Information System (INIS)
Ren, Y.; Kaye, S.M.; Mazzucato, E.; Guttenfelder, W.; Bell, R.E.; Domier, C.W.; LeBlanc, B.P.; Lee, K.C.; Luhmann, N.C. Jr.; Smith, D.R.; Yuh, H.
2011-01-01
In this letter we report the first clear experimental observation of density gradient stabilization of electron temperature gradient driven turbulence in a fusion plasma. It is observed that longer wavelength modes, k (perpendicular) ρ s ∼< 10, are most stabilized by density gradient, and the stabilization is accompanied by about a factor of two decrease in the plasma effective thermal diffusivity.
Effectiveness of electronic stability control on single-vehicle accidents.
Lyckegaard, Allan; Hels, Tove; Bernhoft, Inger Marie
2015-01-01
This study aims at evaluating the effectiveness of electronic stability control (ESC) on single-vehicle injury accidents while controlling for a number of confounders influencing the accident risk. Using police-registered injury accidents from 2004 to 2011 in Denmark with cars manufactured in the period 1998 to 2011 and the principle of induced exposure, 2 measures of the effectiveness of ESC were calculated: The crude odds ratio and the adjusted odds ratio, the latter by means of logistic regression. The logistic regression controlled for a number of confounding factors, of which the following were significant. For the driver: Age, gender, driving experience, valid driving license, and seat belt use. For the vehicle: Year of registration, weight, and ESC. For the accident surroundings: Visibility, light, and location. Finally, for the road: Speed limit, surface, and section characteristics. The present study calculated the crude odds ratio for ESC-equipped cars of getting in a single-vehicle injury accident as 0.40 (95% confidence interval [CI], 0.34-0.47) and the adjusted odds ratio as 0.69 (95% CI, 0.54-0.88). No difference was found in the effectiveness of ESC across the injury severity categories (slight, severe, and fatal). In line with previous results, this study concludes that ESC reduces the risk for single-vehicle injury accidents by 31% when controlling for various confounding factors related to the driver, the car, and the accident surroundings. Furthermore, it is concluded that it is important to control for human factors (at a minimum age and gender) in analyses where evaluations of this type are performed.
International Nuclear Information System (INIS)
Al-Khamiesi, I.M.; Kerimov, B.K.
1988-01-01
Second Born approximation corrections to electron scattering by nuclei with arbitrary spin are considered. Explicit integral expressions for the charge, magnetic dipole and interference differential cross sections are obtained. Magnetic and interference relative corrections are then investigated in the case of backward electron scattering using shell model form factors for nuclear targets 9 Be, 10 B, and 14 N. To understand exponential growth of these corrections with square of the electron energy K 0 2 , the case of electron scattering by 6 Li is considered using monopole model charge form factor with power-law asymptotics. 11 refs., 2 figs. (author)
Czech Academy of Sciences Publication Activity Database
Náprstek, Jiří; Pospíšil, Stanislav
2012-01-01
Roč. 111, č. 1 (2012), s. 1-13 ISSN 0167-6105 R&D Projects: GA ČR(CZ) GA103/09/0094; GA AV ČR(CZ) IAA200710902 Institutional support: RVO:68378297 Keywords : aero-elastic system * self-excited vibration * instability * aero-elastic derivatives Subject RIV: JN - Civil Engineering Impact factor: 1.342, year: 2012
Directory of Open Access Journals (Sweden)
Jieun Cho, Kyeongbong Lee, Minkyu Kim, Joohee Hahn, Wanhee Lee
2018-03-01
Full Text Available This study aimed to investigate the effect of double oscillation exercise combined with elastic band exercise on the strength and thickness ratio of the scapular stabilizing muscles in healthy young individuals. A total of 30 subjects (17 male, 13 female were randomly assigned to an elastic band exercise group (EBG (n = 15 or an elastic band plus double oscillation exercise group (EB-DOG (n = 15. A total of 28 subjects completed the experiment and evaluation. Patients in the EBG performed the elastic band exercise for shoulder flexion, extension, abduction, adduction, horizontal abduction/adduction, and internal/external rotation for 30 minutes/session, five times/week, for four weeks. Patients in the EB-DOG performed the elastic band exercise for 15 minutes and the double oscillation exercise in three planes of motion (frontal, sagittal, and transverse, using a Bodyblade® for 15 minutes/session, five times/week, for four weeks. Shoulder muscle strength was assessed using a manual muscle test device during maximal voluntary isometric contraction (MVIC, while the thicknesses of the scapular stabilizing muscles were assessed using rehabilitative ultrasound imaging both at rest and during MVIC. Both groups had significant effects on shoulder muscle strength, however, there was no significant difference between the two groups for change value of shoulder muscle strength (Bonferroni correction p < 0.005. Significant differences were observed in the group × time interactions for horizontal abduction, external rotation, and protraction. There was a statistically significant improvement in thickness ratio of LT and SA in the EB-DOG and no significant difference was founded in EBG (Bonferroni correction p < 0.006. In comparison between the two groups, EB-DOG showed a significant change in the thickness ratio of LT compared to EBG. In addition, significant differences were observed for the group × time interactions for the thickness ratio of the LT (F
Santos-Ocaña, C; Navas, P; Crane, F L; Córdoba, F
1995-12-01
The presence of yeast cells in the incubation medium prevents the oxidation of ascrobate catalyzed by copper ions. Ethanol increases ascorbate retention. Pyrazole, an alcohol dehydrogenase inhibitor, prevents ascorbate stabilization by cells. Chelation of copper ions does not account for stabilization, since oxidation rates with broken or boiled cells or conditioned media are similar to control rates in the absence of cells. Protoplast integrity is needed to reach optimal values of stabilization. Chloroquine, a known inhibitor of plasma membrane redox systems, inhibits the ascorbate stabilization, the inhibition being partially reversed by coenzyme Q6. Chloroquine does not inhibit ferricyanide reduction. Growth of yeast in iron-deficient media to increase ferric ion reductase activity also increases the stabilization. In conclusion, extracellular ascorbate stabilization by yeast cells can reflect a coenzyme Q dependent transplasmalemma electron transfer which uses NADH as electron donor. Iron deficiency increases the ascorbate stabilization but the transmembrane ferricyanide reduction system can act independently of ascorbate stabilization.
New approximations of the differential electron-atom elastic scattering cross-sections
International Nuclear Information System (INIS)
Niculescu, V.I.R.; Catana, D.
1994-01-01
In the present note concerning the electron-atom interaction a cubic Spline method was used to obtain approximations of the differential cross-sections. These approximations gave a 20 times reduction of the computing time preserving also the accuracy (2%). The example is for Al in the 1-256 keV electron energy range. (Author) 2 Tabs., 3 Refs
Bhatia, A. K.
2014-01-01
In previous papers [A. K. Bhatia, Phys. Rev. A 85, 052708 (2012); 86, 032709 (2012); 87, 042705 (2013)] electron-H, -He+, and -Li2+ P-wave scattering phase shifts were calculated using the variational polarized orbital theory. This method is now extended to the singlet and triplet D-wave scattering in the elastic region. The long-range correlations are included in the Schrodinger equation by using the method of polarized orbitals variationally. Phase shifts are compared to those obtained by other methods. The present calculation provides results which are rigorous lower bonds to the exact phase shifts. Using the presently calculated D-wave and previously calculated S-wave continuum functions, photoionization of singlet and triplet P states of He and Li+ are also calculated, along with the radiative recombination rate coefficients at various electron temperatures.
Energy Technology Data Exchange (ETDEWEB)
Wang, Biao [Southern Methodist U.
2017-01-01
We use the NOvA near detector and the NuMI beam at Fermilab to study the neutrino- electron elastic scattering and the muon neutrino magnetic process beyond the Standard Model physics. The particle identications of neutrino on electron elastic scattering are trained by using the multi-layer neural networks. This thesis provides a general discussion of this technique and shows a good agreement between data and MC for the neutrino-electron elastic weak scattering. So that beneting from the precise cross-section of this channel, we are able to tune the neutrino beam ux simulation in the future. Giving the exposure of 3:62 1020 POT in the NOvA near detector, we report 1:58 10
Paudel, Ramesh; Zhu, Jingchuan
2018-05-01
In this research work, we have predicted the physical properties of CoFeZrGe and CoFeZrSb for the first time by utilizing first principle calculations based on density functional theory. The exchange-correlation potentials are treated within the generalized-gradient approximation of Perdew-Burke and Ernzerhof (GGA-PBE). The investigated equilibrium lattice parameters of CoFeCrSi are in agreement with available theoretical data and for CoFeZrZ(Z = Ge,Sb) are 6.0013 and 6.2546 Å respectively. The calculated magnetic moments are 1.01μB /fu , 2μB /fu and 1μB /fu for CoFeZrZ(Z = Ge, Sb and Si) respectively, and agree with the Slater-Pauling rule, Mt =Zt - 24 . The CoFeZrGe, CoFeZrSb and CoFeZrSi composites showed half-metallic behaviour with 100 % spin polarization at equilibrium lattice parameters with band gap of 0.43, 0.70 and 0.59 eV for GGA and an improved band gap of 0.86, 1.01 and 1.08 for GGA + U respectively. Elastic properties are also discussed in this paper and it is found that all the materials are mechanically stable and ductile in nature. The CoFeZrSi alloy is found to be stiffer than CoFeZrZ(Z = Ge and Sb) alloys. The Debye temperatures are predicted by using calculated elastic constants. Moreover, the volume heat capacities (Cv) are investigated by utilizing the quasi-harmonic Debye model.
Shen, Kesheng; Lu, Hai; Zhang, Xianzhou; Jiao, Zhaoyong
2018-06-01
The electronic structure, elastic and optical properties of the defect quaternary semiconductor CuGaSnSe4 in I 4 bar structure are systematically investigated using first-principles calculations. We summarize and discuss some of the studies on CuGaSnSe4 in partially ordered chalcopyrite structure and find that there are three atomic arrangements so far, but it is still uncertain which is the most stable. Through detailed simulation and comparison with the corresponding literature, we get three models and predict that M1 model should be the most stable. The band structure and optical properties of compound CuGaSnSe4, including dielectric constant, refractive index and absorption spectrum, are drawn for a more intuitive understanding. The elastic constants are also calculated, which not only prove that CuGaSnSe4 in I 4 bar structure is stable naturally but also help solve the problem of no data to accurately predict axial thermal expansion coefficients. The calculated values of the zero frequency dielectric constant and refractive index are comparable to those of the corresponding chalcopyrite structure but slightly larger.
Energy Technology Data Exchange (ETDEWEB)
Wolcott, Jeremy [Univ. of Rochester, NY (United States)
2016-01-01
Appearance-type neutrino oscillation experiments, which observe the transition from muon neutrinos to electron neutrinos, promise to help answer some of the fundamental questions surrounding physics in the post-Standard-Model era. Because they wish to observe the interactions of electron neutrinos in their detectors, and because the power of current results is typically limited by their systematic uncertainties, these experiments require precise estimates of the cross-section for electron neutrino interactions. Of particular interest is the charged-current quasi-elastic (CCQE) process, which gures signi cantly in the composition of the reactions observed at the far detector. However, no experimental measurements of this crosssection currently exist for electron neutrinos; instead, current experiments typically work from the abundance of muon neutrino CCQE cross-section data and apply corrections from theoretical arguments to obtain a prediction for electron neutrinos. Veri cation of these predictions is challenging due to the di culty of constructing an electron neutrino beam, but the advent of modern high-intensity muon neutrino beams|together with the percent-level electron neutrino impurity inherent in these beams| nally presents the opportunity to make such a measurement. We report herein the rst-ever measurement of a cross-section for an exclusive state in electron neutrino scattering, which was made using the MINER A detector in the NuMI neutrino beam at Fermilab. We present the electron neutrino CCQE di erential cross-sections, which are averaged over neutrinos of energies 1-10 GeV (with mean energy of about 3 GeV), in terms of various kinematic variables: nal-state electron angle, nal-state electron energy, and the square of the fourmomentum transferred to the nucleus by the neutrino , Q^{2}. We also provide a total cross-section vs. neutrino energy. While our measurement of this process is found to be in agreement with the predictions of the GENIE
Energy Technology Data Exchange (ETDEWEB)
Frabboni, Stefano [Department FIM, University of Modena and Reggio Emilia, Via G. Campi 213/a, 41125 Modena (Italy); CNR-Institute of Nanoscience-S3, Via G. Campi 213/a, 41125 Modena (Italy); Gazzadi, Gian Carlo [CNR-Institute of Nanoscience-S3, Via G. Campi 213/a, 41125 Modena (Italy); Grillo, Vincenzo [CNR-Institute of Nanoscience-S3, Via G. Campi 213/a, 41125 Modena (Italy); CNR-IMEM, Parco delle Scienze 37a, 43100 Parma (Italy); Pozzi, Giulio [Department of Physics and Astronomy, University of Bologna, Viale B. Pichat 6/2, 40127 Bologna (Italy)
2015-07-15
Modern nanotechnology tools allowed us to prepare slits of 90 nm width and 450 nm spacing in a screen almost completely opaque to 200 keV electrons. Then by covering both slits with a layer of amorphous material and carrying out the experiment in a conventional transmission electron microscope equipped with an energy filter we can demonstrate that the diffraction pattern, taken by selecting the elastically scattered electrons, shows the presence of interference fringes, but with a bimodal envelope which can be accounted for by taking into account the non-constant thickness of the deposited layer. However, the intensity of the inelastically scattered electrons in the diffraction plane is very broad and at the limit of detectability. Therefore the experiment was repeated using an aluminum film and a microscope also equipped with a Schottky field emission gun. It was thus possible to observe also the image due to the inelastically scattered electron, which does not show interference phenomena both in the Fraunhofer or Fresnel regimes. If we assume that inelastic scattering through the thin layer covering the slits provides the dissipative process of interaction responsible for the localization mechanism, then these experiments can be considered a variant of the Feynman which-way thought experiment. - Highlights: • Fabrication by focused ion beam and electron beam induced deposition of two slits covered by electron transparent materials. • Two slits interference experiment with elastic and inelastic electrons. • Analysis of Fraunhofer and Fresnel images of the two slits formed with elastic and inelastic (plasmon loss) electrons.
International Nuclear Information System (INIS)
Furst, J.; Mahgerefteh, M.; Golden, D.E.
1984-01-01
Absolute e - -H 2 total electronically elastic differential scattering cross sections have been determined from relative scattered-electron angular distribution measurements in the energy range from 1 to 19 eV by comparison to absolute e - -He elastic differential scattering cross sections measured in the same apparatus. Integrated total cross sections have been determined as well. Absolute differences as large as 50% between the present results and some previous results have been found, although the agreement as to shape is quite good in many cases. The present results are generally in excellent agreement with recent full rovibrational laboratory-frame close-coupling calculations
Energy Technology Data Exchange (ETDEWEB)
Jain, Ekta, E-mail: jainekta05@gmail.com [Department of Physics, Government M. L. B. Girls P. G. Autonomous College, Bhopal-462002 (India); Pagare, Gitanjali, E-mail: gita-pagare@yahoo.co.in [Department of Physics, Sarojini Naidu Government Girls P. G. Autonomous College, Bhopal-462016 (India); Sanyal, S. P., E-mail: sps.physicsbu@gmail.com [Department of Physics, Barkatullah University, Bhopal-462026 (India)
2016-05-06
The structural, electronic, elastic, mechanical and thermal properties of AlFe intermetallic compound in B{sub 2}-type (CsCl) structure have been investigated using first-principles calculations. The exchange-correlation term was treated within generalized gradient approximation. Ground state properties i.e. lattice constants (a{sub 0}), bulk modulus (B) and first-order pressure derivative of bulk modulus (B’) are presented. The density of states are derived which show the metallic character of present compound. Our results for C{sub 11}, C{sub 12} and C{sub 44} agree well with previous theoretical data. Using Pugh’s criteria (B/G{sub H} < 1.75), brittle character of AlFe is satisfied. In addition shear modulus (G{sub H}), Young’s modulus (E), sound wave velocities and Debye temperature (θ{sub D}) have also been estimated.
Adams, D; Adeva, B; Akdogan, T; Arik, E; Arvidson, A; Badelek, B; Bardin, G; Baum, G; Berglund, P; Betev, L; Birsa, R; Björkholm, P; Bonner, B E; De Botton, N R; Boutemeur, M; Bradamante, Franco; Bravar, A; Bressan, A; Bültmann, S; Burtin, E; Cavata, C; Clocchiatti, M; Crabb, D; Cranshaw, J; Çuhadar-Dönszelmann, T; Dalla Torre, S; Van Dantzig, R; Derro, B R; Deshpande, A A; Dhawan, S K; Dulya, C M; Dyring, A; Eichblatt, S; Faivre, Jean-Claude; Fasching, D; Feinstein, F; Fernández, C; Forthmann, S; Frois, Bernard; Gallas, A; Garzón, J A; Gatignon, L; Gaussiran, T; Gilly, H; Giorgi, M A; von Goeler, E; Görtz, S; Golutvin, I A; Gracia, G; De Groot, N; Grosse-Perdekamp, M; Haft, K; Von Harrach, D; Hasegawa, T; Hautle, P; Hayashi, N; Heusch, C A; Horikawa, N; Hughes, V W; Igo, G; Ishimoto, S; Iwata, T; Kabuss, E M; Kageya, T; Karev, A G; Kessler, H J; Ketel, T; Kiryluk, J; Kiryushin, Yu T; Kishi, A; Kiselev, Yu F; Klostermann, L; Krämer, Dietrich; Krivokhizhin, V G; Kröger, W; Kukhtin, V V; Kurek, K; Kyynäräinen, J; Lamanna, M; Landgraf, U; Le Goff, J M; Lehár, F; de Lesquen, A; Lichtenstadt, J; Lindqvist, T; Litmaath, M; Loewe, M; Magnon, A; Mallot, G K; Marie, F; Martin, A; Martino, J; Matsuda, T; Mayes, B W; McCarthy, J S; Medved, K S; Meyer, W T; Van Middelkoop, G; Miller, D; Miyachi, Y; Mori, K; Moromisato, J H; Nagaitsev, A P; Nassalski, J P; Naumann, Lutz; Niinikoski, T O; Oberski, J; Ogawa, A; Ozben, C; Pereira, H; Perrot-Kunne, F; Peshekhonov, V D; Piegaia, R; Pinsky, L; Platchkov, S K; Pló, M; Pose, D; Postma, H; Pretz, J; Pussieux, T; Rädel, G; Rijllart, A; Reicherz, G; Roberts, J B; Rock, S E; Rodríguez, M; Rondio, Ewa; Ropelewski, Leszek; Sabo, I; Saborido, J; Sandacz, A; Savin, I A; Schiavon, R P; Schiller, A; Schüler, K P; Seitz, R; Semertzidis, Y K; Sergeev, S; Shanahan, P; Sichtermann, E P; Simeoni, F; Smirnov, G I; Staude, A; Steinmetz, A; Stiegler, U; Stuhrmann, H B; Szleper, M; Tessarotto, F; Thers, D; Tlaczala, W; Tripet, A; Ünel, G; Velasco, M; Vogt, J; Voss, Rüdiger; Whitten, C; Windmolders, R; Willumeit, R; Wislicki, W; Witzmann, A; Ylöstalo, J; Zanetti, A M; Zaremba, K; Zamiatin, N I; Zhao, J
2000-01-01
A muon beam polarimeter was built for the SMC experiment at the CERN SPS, for beam energies of 100 and 190 GeV. The beam polarisation is determined from the asymmetry in the elastic scattering off the polarised electrons of a ferromagnetic target whose magnetisation is periodically reversed. At muon energies of 100 and 190~GeV the measured polarisation is $P_{\\mu}=-0.80 \\pm 0.03 (stat.)\\pm 0.02 (syst.)$ and $P_{\\mu}=-0.797 \\pm 0.011 (stat.)\\pm 0.012 (syst.)$, respectively. These results agree with measurements of the beam polarisation using a shape analysis of the decay positron energy spectrum.
International Nuclear Information System (INIS)
Shein, I.R.; Ivanovskii, A.L.
2009-01-01
The comparative study of the structural, elastic, cohesive and electronic properties of three polymorphs (α-monoclinic, β-tetragonal and γ-cubic) of thorium dicarbide ThC 2 is performed within the density-functional theory. The optimized atomic coordinates, lattice parameters, theoretical density (ρ), bulk moduli (B), compressibility (β), as well as electronic densities of states, electronic heat capacity (γ) and molar Pauli paramagnetic susceptibility (χ) for all ThC 2 polymorphs are obtained and analyzed in comparison with available experimental data. The peculiarities of inter-atomic bonding for thorium dicarbide are discussed. Besides, we have evaluated the formation energies (E f ) of ThC 2 polymorphs for different possible preparation routes (namely for the reactions with the participation of simple substances (metallic Th and graphite) or thorium monocarbide ThC and graphite). The results show that the synthesis of the ThC 2 polymorphs from simple substances is more favorable - in comparison with the reactions with participation of Th monocarbide.
Energy Technology Data Exchange (ETDEWEB)
Kothe, Rainer
2008-01-07
The A4-collaboration at the Mainzer Mikrotron MAMI studies the structure of the proton using the elastic scattering of polarized electrons off an unpolarized hydrogen target. When the electrons are longitudinally polarized, the parity violating asymmetry in the cross section can be measured. From this measurement the contribution of the strange quarks to the form factors of the proton can be extracted. In particular, a new measurement at backward angles and a beam energy of 319 MeV allows in combination with a recent value measured at the same Q{sup 2} under forward angles, to separate the magnetic and electric strange form factors via the Rosenbluth method. As part of this work, an electronic system implementing the trigger, analog signal processing, A/D-conversion and event counting was developed. This system contains a locally coupled network structure of the 1022 single channels and was designed to process rates in the range of 100 MHz. For the experimental operation it was necessary to examine the quality and stability of the system and to extract characteristic calibration values. The reliable operation of the system in a parity violating experiment measuring at the 10{sup -6} level was demonstrated. Moreover, the system was successfully upgraded to incorporate an electron tagger system, which was necessary to supress the dominating inelastic background of photons at backward angles. The preliminary value for the parity violating asymmetry for the elastic scattering of longitudinal polarized electrons off an unpolarized hydrogen target under backward angles for Q{sup 2}=0.23 GeV{sup 2}/c{sup 2} is A{sub PV}=(-16.37{+-}0.93{sub stat}{+-}0.69{sub syst}) ppm. This determines the difference of the measured asymmetry A{sub PV} and the theoretical prediction A{sub 0}=(-16.27{+-}1.22) ppm to be A{sub S}=A{sub PV}-A{sub 0}=(-0.10{+-}1.68) ppm. In combination with the value measured at forward angles, A{sub PV}=(-5.59{+-}0.57{sub stat}{+-}0.29{sub syst}) ppm, the
Directory of Open Access Journals (Sweden)
Zhan-ping Song
2016-01-01
Full Text Available To study the tunnel stability at various static water pressures and determine the mechanical properties and deformation behavior of surrounding rock, a modified effective stress formula was introduced into a numerical integration algorithm of elastic-plastic constitutive equation, that is, closest point projection method (CPPM. Taking the effects of water pressure and seepage into account, a CPPM-based formula was derived and a CPPM algorithm based on Drucker-Prager yield criterion considering the effect of pore water pressure was provided. On this basis, a CPPM-based elastic-plastic numerical analysis program considering pore water pressure was developed, which can be applied in the engineering of tunnels and other underground structures. The algorithm can accurately take the effects of groundwater on stability of surrounding rock mass into account and it can show the more pronounced effect of pore water pressure on stress, deformation, and the plastic zone in a tunnel. The stability of water flooding in Fusong tunnel was systematically analyzed using the developed program. The analysis results showed that the existence of groundwater seepage under tunnel construction will give rise to stress redistribution in the surrounding rock mass. Pore water pressure has a significant effect on the surrounding rock mass.
Weyrauch, S.; Wagner, C.; Suckfuell, C.; Lotnyk, A.; Knolle, W.; Gerlach, J. W.; Mayr, S. G.
2018-02-01
With a plasma assisted gas condensation system it is possible to achieve high-purity nanoporous Au (np-Au) structures with minimal contaminations and impurities. The structures consist of single Au-nanoparticles, which partially sintered together due to their high surface to volume ratio. Through electron microscopy investigations a porosity >50% with ligament sizes between 20-30 nm was revealed. The elastic modulus of the np-Au was determined via peak force quantitative nanomechanical mapping and resulted in values of 7.5 ± 1.5 GPa. The presented structures partially sintered at room temperature, but proved to be stable to electron irradiation with energies of 7 MeV up to doses of 100 MGy. The electron irradiation stability opens the venue for electron assisted functionalization with biomolecules.
Experimental study of the stability of a neutralized electron beam
International Nuclear Information System (INIS)
Kudelainen, V.I.; Parkhomchuk, V.V.; Pestrikov, D.V.
1983-01-01
Results are reported from measurements of the spectral properties of a long neutralized electron beam in the NAP-M proton storage ring. It is shown that when the number of secondary electrons is small, both the longitudinal and the transverse oscillations are strongly damped, so that beam instability is suppressed. The current density of the neutralized electron beam produced in the experiments was approx.10 2 times greater than the theoretical value determined from the instability threshold for nonaxisymmetric oscillations
Blæhr, Tue Lindberg; Jensen, Thomas; Due, Karen Margrethe; Neumann-Jensen, Bjarne
2014-07-01
To assess the short term dental and skeletal stability of the anterior maxillary segment after segmental Le Fort I osteotomy with postoperative skeletal elastic fixation with or without occlusal splint. 29 consecutive patients underwent segmental Le Fort I osteotomy and elastic skeletal fixation was applied. Patients were divided into two groups according to whether a fixed occlusal splint was used for six weeks (group A) or dismounted perioperatively (group B). Changes in landmarks and reference planes between the two timepoints were estimated on lateral cephalometric radiographs. The upper incisor had a mean intrusion of -0.56 mm (SD 0.77; range -2.04 to 1.08 mm) and a mean posterior movement of -0.93 mm (SD 1.03; range -2.52 to 0.96 mm). The mean change in the axial inclination of the upper incisor was -0.33° (SD 2.56; range -6° to 4°) (95% CI: -1.75 to 1.08°). Group B: The upper incisor had a mean intrusion of -0.13 mm (SD 1.36; range -1.92 to 3.6 mm) and a mean anterior movement of 0.11 mm (SD 1.78; range -2.88 to 3.84 mm). The mean change in the axial inclination of the upper incisor was -0.07° (SD 3.05; range -5° to 5°) (95% CI: -1.83 to 1.69°). There was no statistically significant difference in stability between the two groups at the P value 0.05. The skeletal anterior fixation with postoperative elastics for eight weeks may not compromise the early postoperative dental and skeletal stability of the anterior segment in segmental Le Fort I osteotomy.
Directory of Open Access Journals (Sweden)
Tue Lindberg
2014-10-01
Full Text Available Objectives: To assess the short term dental and skeletal stability of the anterior maxillary segment after segmental Le Fort I osteotomy with postoperative skeletal elastic fixation with or without occlusal splint. Material and Methods: 29 consecutive patients underwent segmental Le Fort I osteotomy and elastic skeletal fixation was applied. Patients were divided into two groups according to whether a fixed occlusal splint was used for six weeks (group A or dismounted perioperatively (group B. Changes in landmarks and reference planes between the two timepoints were estimated on lateral cephalometric radiographs. Results: Group A: The upper incisor had a mean intrusion of -0.56 mm (SD 0.77; range -2.04 to 1.08 mm and a mean posterior movement of -0.93 mm (SD 1.03; range -2.52 to 0.96 mm. The mean change in the axial inclination of the upper incisor was -0.33° (SD 2.56; range -6° to 4° (95% CI: -1.75 to 1.08°. Group B: The upper incisor had a mean intrusion of -0.13 mm (SD 1.36; range -1.92 to 3.6 mm and a mean anterior movement of 0.11 mm (SD 1.78; range -2.88 to 3.84 mm. The mean change in the axial inclination of the upper incisor was -0.07° (SD 3.05; range -5° to 5° (95% CI: -1.83 to 1.69°. There was no statistically significant difference in stability between the two groups at the P value 0.05. Conclusions: The skeletal anterior fixation with postoperative elastics for eight weeks may not compromise the early postoperative dental and skeletal stability of the anterior segment in segmental Le Fort I osteotomy.
Bäcke, Olof; Lindqvist, Camilla; de Zerio Mendaza, Amaia Diaz; Gustafsson, Stefan; Wang, Ergang; Andersson, Mats R; Müller, Christian; Kristiansen, Per Magnus; Olsson, Eva
2017-05-01
We show by in situ microscopy that the effects of electron beam irradiation during transmission electron microscopy can be used to lock microstructural features and enhance the structural thermal stability of a nanostructured polymer:fullerene blend. Polymer:fullerene bulk-heterojunction thin films show great promise for use as active layers in organic solar cells but their low thermal stability is a hindrance. Lack of thermal stability complicates manufacturing and influences the lifetime of devices. To investigate how electron irradiation affects the thermal stability of polymer:fullerene films, a model bulk-heterojunction film based on a thiophene-quinoxaline copolymer and a fullerene derivative was heat-treated in-situ in a transmission electron microscope. In areas of the film that exposed to the electron beam the nanostructure of the film remained stable, while the nanostructure in areas not exposed to the electron beam underwent large phase separation and nucleation of fullerene crystals. UV-vis spectroscopy shows that the polymer:fullerene films are stable for electron doses up to 2000kGy. Copyright © 2016 Elsevier B.V. All rights reserved.
Czech Academy of Sciences Publication Activity Database
Náprstek, Jiří; Pospíšil, Stanislav; Yau, J. D.
2015-01-01
Roč. 57, August (2015), s. 91-107 ISSN 0889-9746 R&D Projects: GA MŠk(CZ) LO1219; GA ČR(CZ) GC13-34405J Institutional support: RVO:68378297 Keywords : aero-elastic system * self-excited vibration * dynamic stability * Routh–Hurwitz conditions * flutter derivatives * divergence Subject RIV: JM - Building Engineering Impact factor: 1.709, year: 2015 http://dx.doi.org/10.1016/j.jfluidstructs.2015.05.010
Directory of Open Access Journals (Sweden)
Elahmar M.H.
2016-03-01
Full Text Available We investigated the structural stability as well as the mechanical, electronic and magnetic properties of the Full-Heusler alloy CoNiMnSi using the full-potential linearized augmented plane wave (FP-LAPW method. Two generalized gradient approximations (GGA and GGA + U were used to treat the exchange-correlation energy functional. The ground state properties of CoNiMnSi including the lattice parameter and bulk modulus were calculated. The elastic constants (Cij and their related elastic moduli as well as the thermodynamic properties for CoNiMnSi have been calculated for the first time. The existence of half-metallic ferromagnetism (HM-FM in this material is apparent from its band structure. Our results classify CoNiMnSi as a new HM-FM material with high spin polarization suitable for spintronic applications.
Anomalous decay of electronically stabilized lead mesas on Ni(111)
Bollmann, Tjeerd Rogier Johannes; van Gastel, Raoul; Zandvliet, Henricus J.W.; Poelsema, Bene
2011-01-01
With their low surface free energy, lead films tend to wet surfaces. However, quantum size effects (QSE) often lead to islands with distinct preferred heights. We study thin lead films on Ni(111) using low energy electron microscopy and selected area low energy electron diffraction. Indeed, the
Electronic structures, elastic properties, and minimum thermal conductivities of cermet M{sub 3}AlN
Energy Technology Data Exchange (ETDEWEB)
Wang, Jin [Faculty of Materials and Energy, Southwest University, Chongqing 400715 (China); Key Laboratory of Liquid–Solid Structural Evolution and Processing of Materials, Ministry of Education, Shandong University, Jinan 250061 (China); Chen, ZhiQian, E-mail: chen_zq@swu.edu.cn [Faculty of Materials and Energy, Southwest University, Chongqing 400715 (China); Li, ChunMei; Li, Feng; Nie, ChaoYin [Faculty of Materials and Energy, Southwest University, Chongqing 400715 (China)
2014-08-15
The electronic structures and elastic anisotropies of cubic Ti{sub 3}AlN, Zr{sub 3}AlN, and Hf{sub 3}AlN are investigated by pseudopotential plane-wave method based on density functional theory. At the Fermi level, the electronic structures of these compounds are successive with no energy gap between conduct and valence bands, and exhibit metallicity in ground states. In valence band of each partial density of states, the different orbital electrons indicate interaction of corresponding atoms. In addition, the anisotropy of Hf{sub 3}AlN is found to be significantly different from that of Ti{sub 3}AlN and Zr{sub 3}AlN, which involve the differences in the bonding strength. It is notable that Hf{sub 3}AlN is a desired thermal barrier material with the lowest thermal conductivity at high temperature among the three compounds. - Graphical abstract: 1.Young's moduli of anti-perovskite Ti{sub 3}AlN, Zr{sub 3}AlN, and Hf{sub 3}AlN in full space. 2.Electron density differences on crystal planes (1 0 0), (2 0 0), and (1 1 0) of anti-perovskite Zr{sub 3}AlN. - Highlights: • We calculated three anti-perovskite cermets with first-principles theory. • We illustrated 3D Young modulus and found the anomalous anisotropy. • We explained the anomaly and calculated the minimum thermal conductivities.
Elastic and electronic tuning of magnetoresistance in MoTe$_2$
Yang, Junjie; Colen, Jonathan; Liu, Jun; Nguyen, Manh Cuong; Chern, Gia-Wei; Louca, Despina
2017-01-01
Quasi-two dimensional transition metal dichalcogenides (TMD) exhibit dramatic properties that may transform electronic and photonic devices. We report on how the anomalously large magnetoresistance (MR) observed under high magnetic field in MoTe$_2$, a type II Weyl semimetal, can be reversibly controlled under tensile strain. The MR is enhanced by as much as ~ 30 % at low temperatures and high magnetic fields, when uniaxial strain is applied along the $a$-crystallographic direction and reduce...
International Nuclear Information System (INIS)
Shein, I.R.; Ivanovskii, A.L.
2014-01-01
Highlights: • α and β polymorphs of BaZn 2 As 2 as a parent phase of the new DMSs are examined. • Structural, elastic, electronic properties are evaluated from first principles. • Inter-atomic bonding picture is discussed. -- Abstract: Very recently, on the example of hole- and spin-doped BaZn 2 As 2 , quite an unexpected area of potential applications of 122-like phases was proposed as a promising platform for searching the new diluted magnetic semiconductors (DMSs) (2013; K. Zhao, et al, Nature Commun. 4:1442). Herein, by means of the first-principles calculations, we have examined in detail the basic structural, elastic, electronic properties and the peculiarities of the inter-atomic bonding in α and β polymorphs of 122-like BaZn 2 As 2 – a parent phase of the new DMSs. Our characterization of these materials covers the optimized structural parameters, the main elastic parameters (elastic constants, bulk, shear, and Young’s moduli, Poisson’s ratio, anisotropy indexes, and Pugh’s criterion), as well as electronic bands and densities of electronic states
International Nuclear Information System (INIS)
Emmerlich, Jens; Thieme, Niklas; To Baben, Moritz; Music, Denis; Schneider, Jochen M
2013-01-01
The effect of the transition metal valence electron concentration on the energy of formation, effective charge of B icosahedra, elastic properties, surface energy and fracture toughness was calculated using density functional theory for icosahedral transition metal borides of AlXB 14 (X=Sc, Ti, V, Cr, Y, Zr, Nb, Mo). Consistent with previous work on AlYB 14 (Kölpin et al 2009 J. Phys.: Condens. Matter 21 355006) it is shown that phase stability is generally dependent on the effective charge of the icosahedral transition metal borides. Also, ionization potential and electronegativity are identified as parameters affecting the effective charge of B icosahedra suitable for use in predicting the phase stability. Al 0.75 Y 0.75 B 14 , Al 0.75 Sc 0.75 B 14 and Al 0.75 Zr 0.75 B 14 have been identified as promising phases for application as protective coatings as they exhibit high phase stability and stiffness combined with a comparatively high fracture toughness. (paper)
International Nuclear Information System (INIS)
Kumar, V.; Tripathy, S.K.
2014-01-01
Highlights: • Optical properties of ZnSiP 2 studied under different pressure for stable structure. • Birefringence has been calculated at different wavelengths. • Lattice constants, ħω p , bulk modulus and its derivative have been calculated. • C ij , Y, υ and Zener anisotropic factor have also been estimated. • Our calculated values are relative more close to the experimental values. -- Abstract: The plane wave pseudo-potential method within density functional theory (DFT) has been used to investigate the structural, electronic, optical and elastic properties of ZnSiP 2 chalcopyrite semiconductor. The lattice constants are calculated from the optimized unit cells and compare with the experimental value. The band structure, total density of states (TDOS) and partial density of states (PDOS) have been discussed. The energy gap has been calculated along the Γ direction found to be 1.383 eV, which shows that ZnSiP 2 is pseudo-direct in nature. We have also analyzed the frequency dependent dielectric constant ε(ω) and calculated the birefringence (Δn). The optical properties under three different hydrostatic pressures of 0 GPa, 10 GPa and 20 GPa have been described for the first time in the energy range 0–20 eV. The values of bulk modulus (B), pressure derivative of bulk modulus (B ∗ ), elastic constants (C ij ), Young’s modulus (Y), anisotropic factor (A) and Poisson’s ratio (ν) have been calculated. The calculated values of all above parameters are compared with the available experimental values and the values reported by different workers. A fairly good agreement has been found between them
Co-simulation of heavy truck tire dynamics and electronic stability control systems (phase B).
2010-07-01
In the past decade, electronic stability controls (ESC) have become increasingly common on vehicles operating in the United States. The acceptance of this technology has progressed to the point where all new passenger vehicles sold in the US are requ...
International Nuclear Information System (INIS)
Bray, I.; Konovalov, D.A.; McCarthy, I.E.
1991-01-01
A coupled-channel optical method for electron-atomic hydrogen scattering is presented in a form that treats both the projectile and the target electrons symmetrically. Elastic differential cross sections are calculated at a range of energies from 0.5 to 30 eV and are found to be in complete agreement with the absolute measurements, previously reported. Total and total ionization cross sections are also presented. 13 refs., 2 tabs., 2 figs
Test of the electron stability with the Borexino detector
Vishneva, A.; Agostini, M.; Altenmüller, K.; Appel, S.; Atroshchenko, V.; Bellini, G.; Benziger, J.; Bick, D.; Bonfini, G.; Bravo, D.; Caccianiga, B.; Calaprice, F.; Caminata, A.; Carlini, M.; Cavalcante, P.; Chepurnov, A.; Choi, K.; D'Angelo, D.; Davini, S.; de Kerret, K.; Derbin, H. A.; Di Noto, L.; Drachnev, I.; Etenko, A.; Fomenko, K.; Franco, D.; Gabriele, F.; Galbiati, C.; Ghiano, C.; Giammarchi, M.; Goeger-Neff, M.; Goretti, A.; Gromov, M.; Hagner, C.; Hungerford, E.; Ianni, Aldo; Ianni, Andrea; Jany, A.; Jedrzejczak, K.; Jeschke, D.; Kobychev, V.; Korablev, D.; Korga, G.; Kryn, D.; Laubenstein, M.; Lehnert, B.; Litvinovich, E.; Lombardi, F.; Lombardi, P.; Ludhova, L.; Lukyanchenko, G.; Machulin, I.; Manecki, S.; Maneschg, W.; Manuzio, G.; Marcocci, S.; Meroni, E.; Meyer, M.; Miramonti, L.; Misiaszek, M.; Montuschi, M.; Mosteiro, P.; Muratova, V.; Neumair, B.; Oberauer, L.; Obolensky, M.; Ortica, F.; Pallavicini, M.; Papp, L.; Pocar, A.; Ranucci, G.; Razeto, A.; Re, A.; Romani, A.; Roncin, R.; Rossi, N.; Schönert, S.; Semenov, D.; Skorokhvatov, M.; Smirnov, O.; Sotnikov, A.; Sukhotin, S.; Suvorov, Y.; Tartaglia, R.; Testera, G.; Thurn, J.; Toropova, M.; Unzhakov, E.; Vogelaar, R. B.; von Feilitzsch, F.; Wang, H.; Weinz, S.; Winter, J.; Wojcik, M.; Wurm, M.; Yokley, Z.; Zaimidoroga, O.; Zavatarelli, S.; Zuber, K.; Zuzel, G.; Borexino Collaboration
2017-09-01
Despite the fact that the electric charge conservation law is confirmed by many experiments, search for its possible violation remains a way of searching for physics beyond the Standard Model. Experimental searches for the electric charge non-conservation mainly consider electron decays into neutral particles. The Borexino experiment is an excellent tool for the electron decay search due to the highest radiopurity among all the existing experiments, large detector mass, and good sensitivity at low energies. The process considered in this study is a decay into a photon and a neutrino, for which a new lower limit on the electron lifetime is obtained. This is the best electron lifetime limit up to date, exceeding the previous one obtained at the Borexino prototype at two orders of magnitude.
International Nuclear Information System (INIS)
Aly, Kamal A.
2015-01-01
Highlights: • The calculated values of bulk modulus in Reddy et al. [1] are now recalculated correctly. • Eq. (11) suggested by Reddy et al. [1] is not suitable to calculate the bulk modulus, B, for any element or material. • Eq. (12) in Ref. [1] is suitable to calculate, B, for all elements and materials except the underlined materials in Table 4. • All values of the electronic polarizability have been recalculated by different methods. • The bulk modulus, B, and microhardness parameter, H are different; Eq. (8) gives the relation between B and H. - Abstract: In reference Reddy et al. (2009) the correlations between energy gap, optical electronegativity and electronic polarizability for different materials have been studied. The authors of this paper (Reddy et al., 2009) aimed to make extinction or complete some previous works (Bahadur and Mishra, 2013; Reddy et al., 1999, 2000, 1998, 2005, 2008; Reddy and Nazeer Ahammed, 1996; Oshcherin, 1979; Neumann, 1983, 1987; Deus and Schneider; 1985; Deus et al., 1983; Kumar et al. 1992). However, this paper (Reddy et al., 2009) contains many fundamental errors in the calculation of bulk modulus, especially Tables 4–6. As a result, all the obtained values of the bulk modulus and consequently the electronic polarizability are incorrect. Moreover in Table 4 (Reddy et al., 2009), the bulk modulus of II−VI group semiconductors have been calculated by substituting the values of the band gap, E g , into Eq. (11) (B = 14.91 E g + 23.3). The obtained values of B using Eq. (11) are conflicted with that calculated values of B based on the electronegativity and the published previously data. Therefore Eq. (11) in reference Reddy et al. (2009) is not suitable for calculating the values of B for any element or materials. When I recalculated the values of B for all materials in Tables 1 and 4–6 in paper (Reddy et al., 2009) using Eq. (12), I found that, Eq. (12) gives acceptable values of B for all materials except the
Measurement of the Parity Violating Asymmetry in Elastic Electron Scattering off ^{208}Pb
Energy Technology Data Exchange (ETDEWEB)
Wexler, Jonathan [Univ. of Massachusetts, Amherst, MA (United States)
2014-09-01
The Lead Radius Experiment (PREX) was carried out in order to provide a model-independent measurement of the RMS radius √<$2\\atop{n}$> of the neutron distribution in the^{ 208}Pb nucleus. The parity-violating scattering asymmetry for longitudinally polarized 1.06 GeV electrons from an unpolarized 208Pb target was measured at Q2 = 0.00880 GeV2. This measurement was performed by the PREX collaboration in Hall A at Jefferson Laboratory in Newport News, VA, between March and June, 2010. The electron detectors used in this measurement were designed and fabricated by University of Massachusetts-Amherst and Smith College. The resulting parity-violating asymmetry was measured as APV = 656±60(stat.)±14(sys.) ppb. This asymmetry extrapolates to a difference in radii between the nuclear neutron and proton distributions of √<$2\\atop{n}$>-√<$2\\atop{p}$>=0.33$+0.16\\atop{-0.18}$ fm.
Elastic and electronic tuning of magnetoresistance in MoTe2.
Yang, Junjie; Colen, Jonathan; Liu, Jun; Nguyen, Manh Cuong; Chern, Gia-Wei; Louca, Despina
2017-12-01
Quasi-two-dimensional transition metal dichalcogenides exhibit dramatic properties that may transform electronic and photonic devices. We report on how the anomalously large magnetoresistance (MR) observed under high magnetic field in MoTe 2 , a type II Weyl semimetal, can be reversibly controlled under tensile strain. The MR is enhanced by as much as ~30% at low temperatures and high magnetic fields when uniaxial strain is applied along the a crystallographic direction and reduced by about the same amount when strain is applied along the b direction. We show that the large in-plane electric anisotropy is coupled with the structural transition from the 1T' monoclinic to the T d orthorhombic Weyl phase. A shift of the T d -1T' phase boundary is achieved by minimal tensile strain. The sensitivity of the MR to tensile strain suggests the possibility of a nontrivial spin-orbital texture of the electron and hole pockets in the vicinity of Weyl points. Our ab initio calculations show a significant orbital mixing on the Fermi surface, which is modified by the tensile strains.
Ultra-fast electron capture by electrosterically-stabilized gold nanoparticles.
Ghandi, Khashayar; Findlater, Alexander D; Mahimwalla, Zahid; MacNeil, Connor S; Awoonor-Williams, Ernest; Zahariev, Federico; Gordon, Mark S
2015-07-21
Ultra-fast pre-solvated electron capture has been observed for aqueous solutions of room-temperature ionic liquid (RTIL) surface-stabilized gold nanoparticles (AuNPs; ∼9 nm). The extraordinarily large inverse temperature dependent rate constants (k(e)∼ 5 × 10(14) M(-1) s(-1)) measured for the capture of electrons in solution suggest electron capture by the AuNP surface that is on the timescale of, and therefore in competition with, electron solvation and electron-cation recombination reactions. The observed electron transfer rates challenge the conventional notion that radiation induced biological damage would be enhanced in the presence of AuNPs. On the contrary, AuNPs stabilized by non-covalently bonded ligands demonstrate the potential to quench radiation-induced electrons, indicating potential applications in fields ranging from radiation therapy to heterogeneous catalysis.
Kuang, Jun; Dai, Zhaohe; Liu, Luqi; Yang, Zhou; Jin, Ming; Zhang, Zhong
2015-01-01
Nanostructured carbon material based three-dimensional porous architectures have been increasingly developed for various applications, e.g. sensors, elastomer conductors, and energy storage devices. Maintaining architectures with good mechanical performance, including elasticity, load-bearing capacity, fatigue resistance and mechanical stability, is prerequisite for realizing these functions. Though graphene and CNT offer opportunities as nanoscale building blocks, it still remains a great challenge to achieve good mechanical performance in their microarchitectures because of the need to precisely control the structure at different scales. Herein, we fabricate a hierarchical honeycomb-like structured hybrid foam based on both graphene and CNT. The resulting materials possess excellent properties of combined high specific strength, elasticity and mechanical stability, which cannot be achieved in neat CNT and graphene foams. The improved mechanical properties are attributed to the synergistic-effect-induced highly organized, multi-scaled hierarchical architectures. Moreover, with their excellent electrical conductivity, we demonstrated that the hybrid foams could be used as pressure sensors in the fields related to artificial skin.
Natário, José; Queimada, Leonel; Vicente, Rodrigo
2018-04-01
We rederive the equations of motion for relativistic strings, that is, one-dimensional elastic bodies whose internal energy depends only on their stretching, and use them to study circular string loops rotating in the equatorial plane of flat and black hole spacetimes. We start by obtaining the conditions for equilibrium, and find that: (i) if the string’s longitudinal speed of sound does not exceed the speed of light then its radius when rotating in Minkowski’s spacetime is always larger than its radius when at rest; (ii) in Minkowski’s spacetime, equilibria are linearly stable for rotation speeds below a certain threshold, higher than the string’s longitudinal speed of sound, and linearly unstable for some rotation speeds above it; (iii) equilibria are always linearly unstable in Schwarzschild’s spacetime. Moreover, we study interactions of a rotating string loop with a Kerr black hole, namely in the context of the weak cosmic censorship conjecture and the Penrose process. We find that: (i) elastic string loops that satisfy the null energy condition cannot overspin extremal black holes; (ii) elastic string loops that satisfy the dominant energy condition cannot increase the maximum efficiency of the usual particle Penrose process; (iii) if the dominant energy condition (but not the weak energy condition) is violated then the efficiency can be increased. This last result hints at the interesting possibility that the dominant energy condition may underlie the well known upper bounds for the efficiencies of energy extraction processes (including, for example, superradiance).
International Nuclear Information System (INIS)
Khenata, R.; Sahnoun, M.; Baltache, H.; Rerat, M.; Reshak, Ali H.; Al-Douri, Y.; Bouhafs, B.
2005-01-01
Theoretical studies of structural, elastic and electronic properties of spinel MgAl 2 O 4 and ZnAl 2 O 4 oxides are presented, using the full-potential linear augmented plane wave (FP-LAPW) method as implemented in the WIEN97 code. In this approach the local density approximation (LDA) is used for the exchange-correlation (XC) potential. Results are given for lattice constant, bulk modulus, and its pressure derivative. The band structure, density of states, pressure coefficients of energy gaps and elastic constants are also given. We present a detailed comparison with available experimental data and previous calculations. Good agreement is found
Chiral symmetry restoration and quasi-elastic electron-nucleus scattering
International Nuclear Information System (INIS)
Henley, E.M.; Krein, G.
1989-01-01
Chiral symmetry is known to be an important concept in hadronic interactions. It holds in QCD, but is known to be broken at low energies. It is therefore useful to study chiral symmetry and its breaking together with its consequences in nuclear physics. It is the latter phenomena we consider here. It is difficult to study nonperturbative QCD at low energies and models are needed. The Nambu-Jona-Lasinio (NJL) model fits this category; it incorporates chiral symmetry and its breaking, and allows one to study its effects in nucleons and nuclei. In particular, the constituent quark mass varies with density (ρ) and temperature (T). At high ρ and T chiral symmetry is restored. It is the ρ dependence which yields important effects in electron scattering due to partial restoration of chiral symmetry in nuclei. We begin with the NJL model with a small chiral symmetry breaking
High energy elastic nu /sub mu / scattering off electrons in Gargamelle
Armenise, N; Arnault, C; Bellotti, E; Blondel, A; Blum, D; Bonetti, S; Bonneaud, G; Bourotte, J; Carnessecchi, G; Degrange, B; Dvalli, D; Erriquez, O; Fiorini, E; Fogli-Muciaccia, M T; Gillespie, J; Haguenauer, Maurice; Heusse, P; Jacquet, F; Lundborg, P; Lutz, A M; Matteuzzi, C; Musset, P; Natali, S; Nguyen-Khac, U; Nuzzo, S; Pascaud, C; Pattison, B; Price, M; Pullia, A; Rollier, M; Romano, F; Sleeman, J C; Vialle, J P; Willutzky, M; Zanotti, L
1979-01-01
The reaction nu /sub mu /e to nu /sub mu /e has been investigated in the bubble chamber Gargamelle exposed to the wide-band neutrino beam of the CERN SPS. Nine electron candidates of which 0.5 are expected to be background, were found in a total statistics available of 64000 charged current neutrino events. Results are given in terms of vector and axial vector coupling constants. The present results agree with the standard SU(2)(X)U(1) model for current values of sin/sup 2/ Theta /sub w/. A critical comparison is made with the previous result based on statistics which were smaller by a factor 2.6 and which led to a rather higher cross section. (10 refs).
Energy Technology Data Exchange (ETDEWEB)
Piasecki, M., E-mail: m.piasecki@ajd.czest.pl [Institute of Physics, Jan Dlugosz University, Armii Krajowej 13/15, 42-200 Czestochowa (Poland); Brik, M.G. [College of Sciences, Chongqing University of Posts and Telecommunications, Chongqing 400065 (China); Institute of Physics, University of Tartu, Ravila 14C, Tartu 50411 (Estonia); Institute of Physics, Polish Academy of Sciences, Al. Lotników 32/46, 02-668 Warsaw (Poland); Kityk, I.V. [Faculty of Electrical Engineering, Czestochowa University of Technology, Armii Krajowej 17, 42-200 Czestochowa (Poland)
2015-08-01
A novel infrared optoelectronic material Tl{sub 4}CdI{sub 6} was studied using the density functional theory (DFT)-based techniques. Its structural, electronic, optical and elastic properties were all calculated in the generalized gradient approximation (GGA) with the Perdew–Burke–Ernzerhof (PBE) and the local density approximation (LDA) with the Ceperley-Alder–Perdew-Zunger (CA–PZ) functionals. The studied material is a direct band gap semiconductor with the calculated band gaps of 2.043 eV (GGA) and 1.627 eV (LDA). The wavelength dependence of the refractive index was fitted to the Sellmeier equation in the spectral range from 400 to 2000 nm. Good agreement between the GGA-calculated values of refractive index and experimental data was achieved. To the best of our knowledge, this is the first consistent theoretical description of the title compound, which includes calculations and analysis of the structural, electronic, optical and elastic properties. - Graphical abstract: Display Omitted - Highlights: • Infrared optoelectronic material Tl{sub 4}CdI{sub 6} was studied using ab initio methods. • Structural, electronic, optical and elastic properties were calculated. • Independent components of the elastic constants tensor were calculated. • Good agreement with available experimental results was achieved.
International Nuclear Information System (INIS)
Piasecki, M.; Brik, M.G.; Kityk, I.V.
2015-01-01
A novel infrared optoelectronic material Tl 4 CdI 6 was studied using the density functional theory (DFT)-based techniques. Its structural, electronic, optical and elastic properties were all calculated in the generalized gradient approximation (GGA) with the Perdew–Burke–Ernzerhof (PBE) and the local density approximation (LDA) with the Ceperley-Alder–Perdew-Zunger (CA–PZ) functionals. The studied material is a direct band gap semiconductor with the calculated band gaps of 2.043 eV (GGA) and 1.627 eV (LDA). The wavelength dependence of the refractive index was fitted to the Sellmeier equation in the spectral range from 400 to 2000 nm. Good agreement between the GGA-calculated values of refractive index and experimental data was achieved. To the best of our knowledge, this is the first consistent theoretical description of the title compound, which includes calculations and analysis of the structural, electronic, optical and elastic properties. - Graphical abstract: Display Omitted - Highlights: • Infrared optoelectronic material Tl 4 CdI 6 was studied using ab initio methods. • Structural, electronic, optical and elastic properties were calculated. • Independent components of the elastic constants tensor were calculated. • Good agreement with available experimental results was achieved
Introducing various ligands into superhalogen anions reduces their electronic stabilities
Smuczyńska, Sylwia; Skurski, Piotr
2008-02-01
The vertical electron detachment energies (VDE) of six NaX2- anions (where X = F, Cl, Br) were calculated at the OVGF level with the 6-311++G(3df) basis sets. In all the cases studied the VDE exceeds the electron affinity of chlorine atom and thus those species were classified as superhalogen anions. The largest vertical binding energy was found for the NaF2- system (6.644 eV). The strong VDE dependence on the ligand type, ligand-central atom distance, and the character of the highest occupied molecular orbital (HOMO) was observed and discussed.
Flow shear stabilization of hybrid electron-ion drift mode in tokamaks
International Nuclear Information System (INIS)
Bai, L.
1999-01-01
In this paper, a model of sheared flow stabilization on hybrid electron-ion drift mode is proposed. At first, in the presence of dissipative trapped electrons, there exists an intrinsic oscillation mode in tokamak plasmas, namely hybrid dissipative trapped electron-ion temperature gradient mode (hereafter, called as hybrid electron-ion drift mode). This conclusion is in agreement with the observations in the simulated tokamak experiment on the CLM. Then, it is found that the coupling between the sheared flows and dissipative trapped electrons is proposed as the stabilization mechanism of both toroidal sheared flow and poloidal sheared flow on the hybrid electron-ion drift mode, that is, similar to the stabilizing effect of poloidal sheared flow on edge plasmas in tokamaks, in the presence of both dissipative trapped electrons and toroidal sheared flow, large toroidal sheared flow is always a strong stabilizing effect on the hybrid electron-ion drift mode in internal transport barrier location, too. This result is consistent with the experimental observations in JT-60U. (author)
Flow shear stabilization of hybrid electron-ion drift mode in tokamaks
International Nuclear Information System (INIS)
Bai, L.
2001-01-01
In this paper, a model of sheared flow stabilization on hybrid electron-ion drift mode is proposed. At first, in the presence of dissipative trapped electrons, there exists an intrinsic oscillation mode in tokamak plasmas, namely hybrid dissipative trapped electron-ion temperature gradient mode (hereafter, called as hybrid electron-ion drift mode). This conclusion is in agreement with the observations in the simulated tokamak experiment on the CLM. Then, it is found that the coupling between the sheared flows and dissipative trapped electrons is proposed as the stabilization mechanism of both toroidal sheared flow and poloidal sheared flow on the hybrid electron-ion drift mode, that is, similar to the stabilizing effect of poloidal sheared flow on edge plasmas in tokamaks, in the presence of both dissipative trapped electrons and toroidal sheared flow, large toroidal sheared flow is always a strong stabilizing effect on the hybrid electron-ion drift mode in internal transport barrier location, too. This result is consistent with the experimental observations in JT-60U. (author)
Qattan, I. A.
2017-05-01
Background: The inconsistency in the results obtained from the Rosenbluth separation method and the high-Q2 recoil polarization results on the ratio μpGEp/GMp implies a systematic difference between the two techniques. Several studies suggest that missing higher-order radiative corrections to elastic electron-proton scattering cross section σR(ɛ ,Q2) and in particular hard two-photon-exchange (TPE) contributions could account for the discrepancy. Purpose: In this work, I improve on and extend to low and high Q2 values the extractions of the ɛ dependence of the real parts of the TPE amplitudes relative to the magnetic form factor, as well as the ratio Pl/PlBorn(ɛ ,Q2) by using world data on σR(ɛ ,Q2) with an emphasis on precise new data covering the low-momentum region which is sensitive to the large-scale structure of the nucleon. Method: I combine cross section and polarization measurements of elastic electron-proton scattering to extract the TPE amplitudes. Because the recoil polarization data were confirmed "experimentally" to be essentially independent of ɛ , I constrain the ratio Pt/Pl(ɛ ,Q2) to its ɛ -independent term (Born value) by setting the TPE contributions to zero. This allows for the amplitude YM(ɛ ,Q2) and σR(ɛ ,Q2) to be expressed in terms of the remaining two amplitudes YE(ɛ ,Q2) and Y3(ɛ ,Q2) which in turn are parametrized as second-order polynomials in ɛ and Q2 to reserve as possible the linearity of σR(ɛ ,Q2) as well as to account for possible nonlinearities in the TPE amplitudes. Furthermore, I impose the Regge limit which ensures the vanishing of the TPE contributions to σR(ɛ ,Q2) and the TPE amplitudes in the limit ɛ →1 . Results: I provide simple parametrizations of the TPE amplitudes, along with an estimate of the fit uncertainties. The extracted TPE amplitudes are compared with previous phenomenological extractions and TPE calculations. The Pl/PlBorn ratio is extracted by using the new parametrizations of the TPE
MHD stability of runaway electron discharge in tokamaks
International Nuclear Information System (INIS)
Wakatani, M.
1978-04-01
A runaway current concentrating in the central region has stabilizing effects on kink and tearing instabilities on the basis of a model in which the runaway current is assumed rigid. The Kruskal-Shafranov limit (iota(a) = iota sub(σ(a) + iota sub( b)(a) <= 1) disappears for iota sub(σ(a) <= 0.2 in the case of parabolic profiles of both the runaway current and the conduction current. Here iota sub(σ)(a) is a rotational transform due to the conduction current and iota sub( b)(a) is a rotational transform due to the runaway current. (auth.)
International Nuclear Information System (INIS)
Trajmar, S.; Kanik, I.; LeClair, L.R.; Khakoo, M.A.; Bray, I.; Fursa, D.; Csanak, G.
1998-01-01
We describe some of our results from a joint experimental and theoretical program concerning elastic electron scattering by 138 Ba(...6s6p 1 P 1 ) atoms. From the experimental results, we derived various scattering parameters and magnetic sublevel specific differential elastic scattering cross sections at impact energy (E 0 ) of 20.0 eV and at scattering angles (θ) of 10deg, 15deg, and 20deg. The same parameters and cross sections were calculated by the convergent close coupling (CCC) approximation and compared to the experimental results. An excellent agreement, found for the two sets of data, gave us confidence in the CCC method and allowed us to extend the angular and energy ranges for the purpose of generating integral elastic scattering cross sections needed for the deduction of the alignment creation cross sections. (J.P.N.)
Equilibrium, confinement and stability of runaway electrons in tokamaks
International Nuclear Information System (INIS)
Spong, D.A.
1976-03-01
Some of the ramifications of the runaway population in tokamak experiments are investigated. Consideration is given both to the normal operating regime of tokamaks where only a small fraction of high energy runaways are present and to the strong runaway regime where runaways are thought to carry a significant portion of the toroidal current. In particular, the areas to be examined are the modeling of strong runaway discharges, single particle orbit characteristics of runaways, macroscopic beam-plasma equilibria, and stability against kink modes. A simple one-dimensional, time-dependent model has been constructed in relation to strong runaway discharges. Single particle orbits are analyzed in relation to both the strong runaway regime and the weak regime. The effects of vector E x vector B drifts are first considered in strong runaway discharges and are found to lead to a slow inward shrinkage of the beam. Macroscopic beam-plasma equilibria are treated assuming a pressureless relativistic beam with inertia and using an ideal MHD approximation for the plasma. The stability of a toroidal relativistic beam against kink perturbations is examined using several models
Theory of lithium islands and monolayers: Electronic structure and stability
International Nuclear Information System (INIS)
Quassowski, S.; Hermann, K.
1995-01-01
Systematic calculations on planar clusters and monolayers of lithium are performed to study geometries and stabilities of the clusters as well as their convergence behavior with increasing cluster size. The calculations are based on ab initio methods using density-functional theory within the local-spin-density approximation for exchange and correlation. The optimized nearest-neighbor distances d NN of the Li n clusters, n=1,...,25, of both hexagonal and square geometry increase with cluster size, converging quite rapidly towards the monolayer results. Further, the cluster cohesive energies E c increase with cluster size and converge towards the respective monolayer values that form upper bounds. Clusters of hexagonal geometry are found to be more stable than square clusters of comparable size, consistent with the monolayer results. The size dependence of the cluster cohesive energies can be described approximately by a coordination model based on the concept of pairwise additive nearest-neighbor binding. This indicates that the average binding in the Li n clusters and their relative stabilities can be explained by simple geometric effects which derive from the nearest-neighbor coordination
Energy Technology Data Exchange (ETDEWEB)
Vinodkumar, Minaxi [V P and R P T P Science College, Vallabh Vidyanagar 388 120, Gujarat (India); Limbachiya, Chetan [P S Science College, Kadi 382 715, Gujarat (India); Antony, Bobby [Department of Environmental, Earth and Atmospheric Sciences, University of Massachusetts Lowell, 265 Riverside Street, Lowell, MA 01854-5045 (United States); Joshipura, K N [Department of Physics, Sardar Patel University, Vallabh Vidyanagar 388 120, Gujarat (India)
2007-08-28
In this paper we report comprehensive calculations of total elastic (Q{sub el}), total ionization (Q{sub ion}) and total (complete) cross sections (Q{sub T}) for the impact of electrons on inert gases (He, Ne, Ar, Kr and Xe) at energies from about threshold to 2000 eV. We have employed the spherical complex optical potential (SCOP) formalism to evaluate Q{sub el} and Q{sub T} and used the complex spherical potential-ionization contribution (CSP-ic) method to derive Q{sub ion}. The dependence of Q{sub T} on polarizability and incident energy is presented for these targets through an analytical formula. Mutual comparison of various cross sections is provided to show their relative contribution to the total cross sections Q{sub T}. Comparison of Q{sub T} for all these targets is carried out to present a general theoretical picture of collision processes. The present calculations also provide information, hitherto sparse, on the excitation processes of these atomic targets. These results are compared with available experimental and other theoretical data and overall good agreement is observed.
Solvation effect on isomer stability and electronic structures of protonated serotonin
Omidyan, Reza; Amanollahi, Zohreh; Azimi, Gholamhassan
2017-07-01
Microsolvation effect on geometry and transition energies of protonated serotonin has been investigated by MP2 and CC2 quantum chemical methods. Also, conductor-like screening model, implemented recently in the MP2 and ADC(2) methods, was examined to address the bulk water environment's effect on the isomer stability and electronic transition energies of protonated serotonin. It has been predicted that the dipole moment of gas phase isomers plays the main role on the isomer stabilization in water solution and electronic transition shifts. Also, both red- and blue-shift effects have been predicted to take place on electronic transition energies, upon hydration.
The stability of free-electron lasers against filamentation
International Nuclear Information System (INIS)
Barnard, J.J.; Scharlemann, E.T.; Yu, S.S.
1987-01-01
In inertial confinement fusion (ICF) experiments, the high electromagnetic fields propagating through a relatively dense plasma can result in a transverse instability, causing the matter and light to form filaments oriented parallel to the light beam. We examine whether a similar instability exists in the electron beam of a free-electron laser, where such an instability could interfere with the transfer of beam kinetic energy into optical wave energy. We heuristically examine the instability in a relativistic beam through which an intense laser beam is propagating. We ignore the FEL effects. We estimate how the altered index of refraction in an FEL affects the dispersion relation. Finally, we estimate the effect that the instability could have on the phase coherence of a particle as it transits an FEL. 10 refs., 2 tabs
Pyroprotein-Based Electronic Textiles with High Stability.
Jeon, Jun Woo; Cho, Se Youn; Jeong, Yu Jin; Shin, Dong Seok; Kim, Na Rae; Yun, Young Soo; Kim, Hyun-Tae; Choi, Soo Bong; Hong, Won G; Kim, Hae Jin; Jin, Hyoung-Joon; Kim, Byung Hoon
2017-02-01
Thermally reducible pyroprotein-based electronic textiles (e-textiles) are fabricated using graphene oxide and a pyroprotein such as cocoon silk and spider web without any chemical agents. The electrical conductivity of the e-textile is 11.63 S cm -1 , which is maintained even in bending, washing, and temperature variation. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
In situ electron-beam polymerization stabilized quantum dot micelles.
Travert-Branger, Nathalie; Dubois, Fabien; Renault, Jean-Philippe; Pin, Serge; Mahler, Benoit; Gravel, Edmond; Dubertret, Benoit; Doris, Eric
2011-04-19
A polymerizable amphiphile polymer containing PEG was synthesized and used to encapsulate quantum dots in micelles. The quantum dot micelles were then polymerized using a "clean" electron beam process that did not require any post-irradiation purification. Fluorescence spectroscopy revealed that the polymerized micelles provided an organic coating that preserved the quantum dot fluorescence better than nonpolymerized micelles, even under harsh conditions. © 2011 American Chemical Society
Epitaxial stabilization of ultra thin films of electron doped manganites
Energy Technology Data Exchange (ETDEWEB)
Middey, S., E-mail: smiddey@uark.edu; Kareev, M.; Meyers, D.; Liu, X.; Cao, Y.; Tripathi, S.; Chakhalian, J. [Department of Physics, University of Arkansas, Fayetteville, Arkansas 72701 (United States); Yazici, D.; Maple, M. B. [Department of Physics, University of California, San Diego, La Jolla, California 92093 (United States); Ryan, P. J.; Freeland, J. W. [Advanced Photon Source, Argonne National Laboratory, Argonne, Illinois 60439 (United States)
2014-05-19
Ultra-thin films of the electron doped manganite La{sub 0.8}Ce{sub 0.2}MnO{sub 3} were grown in a layer-by-layer growth mode on SrTiO{sub 3} (001) substrates by pulsed laser interval deposition. High structural quality and surface morphology were confirmed by a combination of synchrotron based x-ray diffraction and atomic force microscopy. Resonant X-ray absorption spectroscopy measurements confirm the presence of Ce{sup 4+} and Mn{sup 2+} ions. In addition, the electron doping signature was corroborated by Hall effect measurements. All grown films show a ferromagnetic ground state as revealed by both dc magnetization and x-ray magnetic circular dichroism measurements and remain insulating contrary to earlier reports of a metal-insulator transition. Our results hint at the possibility of electron-hole asymmetry in the colossal magnetoresistive manganite phase diagram akin to the high-T{sub c} cuprates.
International Nuclear Information System (INIS)
Liu Ya-Hui; Chong Xiao-Yu; Jiang Ye-Hua; Feng Jing
2017-01-01
The stability, electronic structures, and mechanical properties of the Fe–Mn–Al system were determined by first-principles calculations. The formation enthalpy and cohesive energy of these Fe–Mn–Al alloys are negative and show that the alloys are thermodynamically stable. Fe 3 Al, with the lowest formation enthalpy, is the most stable compound in the Fe–Mn–Al system. The partial density of states, total density of states, and electron density distribution maps of the Fe– Mn–Al alloys were analyzed. The bonding characteristics of these Fe–Mn–Al alloys are mainly combinations of covalent bonding and metallic bonds. The stress-strain method and Voigt–Reuss–Hill approximation were used to calculate the elastic constants and moduli, respectively. Fe 2.5 Mn 0.5 Al has the highest bulk modulus, 234.5 GPa. Fe 1.5 Mn 1.5 Al has the highest shear modulus and Young’s modulus, with values of 98.8 GPa and 259.2 GPa, respectively. These Fe–Mn–Al alloys display disparate anisotropies due to the calculated different shape of the three-dimensional curved surface of the Young’s modulus and anisotropic index. Moreover, the anisotropic sound velocities and Debye temperatures of these Fe–Mn–Al alloys were explored. (paper)
Electronic origin of strain effects on solute stabilities in iron
Energy Technology Data Exchange (ETDEWEB)
Liu, Wei; Li, Xiangyan; Xu, Yichun, E-mail: xuyichun@issp.ac.cn, E-mail: csliu@issp.ac.cn; Liu, C. S., E-mail: xuyichun@issp.ac.cn, E-mail: csliu@issp.ac.cn [Key Laboratory of Materials Physics, Institute of Solid State Physics, Chinese Academy of Sciences, P.O. Box 1129, Hefei 230031 (China); Liang, Yunfeng [Environment and Resource System Engineering, Kyoto University, Kyoto 615-8540 (Japan); Key Laboratory of Materials Physics, Institute of Solid State Physics, Chinese Academy of Sciences, P.O. Box 1129, Hefei 230031 (China)
2016-08-21
Nonuniform strain fields might induce the segregation of alloying solutes and ultimately lead to the mechanical performance degradation of body-centered-cubic (bcc) Fe based steels serving in extreme environments, which is worthy of investigation. In this paper, two typical volume-conserving strains, shear strain (SS) and normal strain (NS), are proposed to investigate the strain effects on solute stabilities in bcc iron by first-principles calculations. For solutes in each transition metal group, the calculated substitution energy change due to SS exhibits a linear dependence on the valence d radius of the solutes, and the slope decreases in an exponential manner as a function of the absolute difference between the Watson's electronegativity of iron and the averaged value of each transition metal group. This regularity is attributed to the Pauli repulsion between the solutes and the nearest neighboring Fe ions modulated by the hybridization of valence d bands and concluded to be originated from the characteristics of valence d bonding between the transition-metal solutes and Fe ions under SS. For main-group and post transition-metal solutes, the considerable drop of substitution energy change due to NS is concluded to be originated from the low-energy side shift of the widened valence s and p bands of the solutes. Our results indicate that the stabilities of substitutional solutes in iron under volume-conserving strain directly correlate with the intrinsic properties of the alloying elements, such as the valence d radius and occupancy, having or not having valence s and p bands.
Jannoo, Kanokwan; Teerapatsakul, Churapa; Punyanut, Adisak; Pasanphan, Wanvimol
2015-07-01
Silver nanoparticles (AgNPs) in chitosan (CS) stabilizer were successfully synthesized using electron beam irradiation. The effects of irradiation dose, molecular weight (MW) of CS stabilizer, concentration of AgNO3 precursor and addition of tert-butanol on AgNPs production were studied. The stability of the AgNPs under different temperatures and storage times were also investigated. The AgNPs formation in CS was observed using UV-vis, FT-IR and XRD. The characteristic surface plasmon resonance (SPR) of the obtained AgNPs was around 418 nm. The CS stabilizer and its MW, AgNO3 precursor and irradiation doses are important parameters for the synthesis of AgNPs. The optimum addition of 20% v/v tert-butanol could assist the formation of AgNPs. The AgNPs in CS stabilizer were stable over a period of one year when the samples were kept at 5 °C. The AgNPs observed from TEM images were spherical with an average particle size in the range of 5-20 nm depending on the irradiation doses. The AgNPs in CS solution effectively inhibited the growth of several fungi, i.e., Curvularia lunata, Trichoderma sp., Penicillium sp. and Aspergillus niger, which commonly found on the building surface.
Energy Technology Data Exchange (ETDEWEB)
Shein, I.R. [Institute of Solid State Chemistry, Ural Branch of the Russian Academy of Sciences, Ekaterinburg 620990 (Russian Federation); Ivanovskii, A.L., E-mail: ivanovskii@ihim.uran.ru [Institute of Solid State Chemistry, Ural Branch of the Russian Academy of Sciences, Ekaterinburg 620990 (Russian Federation)
2013-02-01
Very recently (2012, Phys. Rev Lett., 109, 035502) a new hexagonal (s.g. P63/mmc, Music-Sharp-Sign 194) ternary phase Nb{sub 2}GeC, which belongs to so-called 211-like MAX phases, was discovered. In order to get a systematic insight into the structural, elastic, and electronic properties of Nb{sub 2}GeC, we used two complementary DFT-based first-principles approaches (as implemented in the VASP and Wien2k packages) to calculate the optimized structural parameters, band structure, densities of state, Fermi surface, and a set of elastic parameters: elastic constants (C{sub ij}), bulk modulus (B), compressibility ({beta}), shear modulus (G), Young's modulus (Y), and elastic anisotropy indexes, which were discussed in comparison with available data. Besides, the inter-atomic bonding picture for Nb{sub 2}GeC was discussed using electron density maps and Bader's charge analysis.
Electron concentration and phase stability in NbCr2-based Laves phase alloys
Energy Technology Data Exchange (ETDEWEB)
Zhu, J.H.; Liaw, P.K. [Univ. of Tennessee, Knoxville, TN (United States). Dept. of Materials Science and Engineering; Liu, C.T. [Oak Ridge National Lab., TN (United States). Metals and Ceramics Div.
1997-05-12
Phase stability in NbCr{sub 2}-based transition-metal Laves phases was studied, based on the data reported for binary X-Cr, Nb-X, and ternary Nb-Cr-X phase diagrams. It was shown that when the atomic size ratios are kept identical, the average electron concentration factor, e/a, is the dominating factor in controlling the phase stability of NbCr{sub 2}-based transition-metal Laves phases. The e/a ratios for different Laves polytypes were determined as followed: with e/a < 5.76, the C15 structure is stabilized; at an e/a range of 5.88--7.53, the C14 structure is stabilized; with e/a > 7.65, the C15 structure is stabilized again. A further increase in the electron concentration factor (e/a > 8) leads to the disordering of the alloy. The electron concentration effect on the phase stability of Mg-based Laves phases and transition-metal A{sub 3}B intermetallic compounds is also reviewed and compared with the present observations in transition-metal Laves phases. In order to verify the e/a/phase stability relationship experimentally, additions of Cu (with e/a = 11) were selected to replace Cr in the NbCr{sub 2} Laves phase. Experimental results for the ternary Nb-Cr-Cu system are reported and discussed in terms of the correlation between the e/a ratio and phase stability in NbCr{sub 2}-based Laves phases. A new phase was found, which has an average composition of Nb-47Cr-3Cu. Within the solubility limit, the electron concentration and phase stability relationship is obeyed in the Nb-Cr-Cu system.
Strain, stabilities and electronic properties of hexagonal BN bilayers
Fujimoto, Yoshitaka; Saito, Susumu
Hexagonal boron nitride (h-BN) atomic layers have been regarded as fascinating materials both scientifically and technologically due to the sizable band gap. This sizable band-gap nature of the h-BN atomic layers would provide not only new physical properties but also novel nano- and/or opto-electronics applications. Here, we study the first-principles density-functional study that clarifies the biaxial strain effects on the energetics and the electronic properties of h-BN bilayers. We show that the band gaps of the h-BN bilayers are tunable by applying strains. Furthermore, we show that the biaxial strains can produce a transition from indirect to direct band gaps of the h-BN bilayer. We also discuss that both AA and AB stacking patterns of h-BN bilayer become feasible structures because h-BN bilayers possess two different directions in the stacking patterns. Supported by MEXT Elements Strategy Initiative to Form Core Research Center through Tokodai Institute for Element Strategy, JSPS KAKENHI Grant Numbers JP26390062 and JP25107005.
International Nuclear Information System (INIS)
Lee, M.J.; Park, C.K.; Yoo, D.H.; Lee, J.K.; Lee, B.J.; Han, B.S.; Kim, J.K.; Kim, Y.R.
2005-01-01
Biological treatment of dye wastewater pre-treated by electron beam has been performed in order to evaluate the biodegradation and ecological stability of effluent. In the process of electron-beam treatment of wastewater there are utilized chemical transformations of pollutants induced by ionizing radiation. Partial decomposition of pollutant takes place as well as transformations of pollutant molecules that result in improving subsequent purification stages like as biological processing. Dyeing wastewater contains many kind of pollutants which are difficult to be decomposed completely by microorganisms. In this study, biodegradation with dyeing wastewater pre-treated by electron beams was observed. On the other hand, consideration on public acceptance in terms of ecological stability of biological effluent pre-treated by electron beams was given in this study. The results of laboratory investigations on biodegradation and ecological stability of effluent showed that biodegradation of dye wastewater pre-treated by electron beam was enhanced compared to unirradiated one. In the initial stage of biological oxidation regardless of different HRT, dye wastewater pre-treated by electron beam could be oxidized easily compare to without treated one. More number of survived daphnia magna could be observed in the biological effluent pre-treated by electron beam. This means that biological effluent pre-treated by electron beam can be said 'it is safe on the ecological system'
Equilibrium and stability properties of relativistic electron rings and E-layers
International Nuclear Information System (INIS)
Uhm, H.
1976-01-01
Equilibrium and stability properties of magnetically confined partially-neutralized thin electron ring and E-layer are investigated using the Vlasov-Maxwell equations. The analysis is carried out within the context of the assumption that the minor dimensions (a,b) of the system are much less than the collisionless skin depth (c/antiω/sub p/). The equilibrium configuration of the E-layer is assumed to be an infinitely long, azimuthally symmetric hollow electron beam which is aligned parallel to a uniform axial magnetic field. On the other hand, the electron ring is located at the midplane of an externally imposed mirror field which acts to confine the ring both axially and radially. The equilibrium properties of the E-layer and electron ring are obtained self-consistently for several choices of equilibrium electron distribution function. The negative-mass instability analysis is carried out for the relativistic E-layer equilibrium in which all of the electrons have the same transverse energy and a spread in canonical angular momentum, assuming a fixed ion background. The ion resonance instability properties are investigated for a relativistic nonneutral E-layer aligned parallel to a uniform magnetic field and located between two ground coaxial cylindrical conductors. The stability properties of a nonrelativistic electron ring is investigated within the framework of the linearized Vlasov-Poisson equations. The dispersion relation is obtained for the self-consistent electron distribution function in which all electrons have the same value of energy an the same value of canonical angular momentum. The positive ions in the electron ring are assumed to form an immobile partially neutralizing background. The stability criteria as well as the instability growth rates are derived and discussed including the effect of geometrical configuration of the system. Equilibrium space-charge effects play a significant role in stability behavior
International Nuclear Information System (INIS)
Shankar, A.; Rai, D.P.; Chettri, Sandeep; Khenata, R.; Thapa, R.K.
2016-01-01
We have investigated the electronic structure, elastic and thermoelectric properties of the filled skutterudite CeRu 4 Sb 12 using the density functional theory (DFT). The full potential linearized augmented plane wave (FP-LAPW) method within a framework of the generalized gradient approximation (GGA) approach is used to perform the calculations presented here. The electronic structure calculation suggests an indirect band gap semiconducting nature of the material with energy band gap of 0.08 eV. The analysis of the elastic constants at relaxed positions reveals the ductile nature of the sample material with covalent contribution in the inter-atomic bonding. The narrow band gap semiconducting nature with high value of Seebeck coefficient suggests the possibility of the thermoelectric application of the material. The analysis of the thermal transport properties confirms the result obtained from the energy band structure of the material with high thermopower and dimensionless figure of merit 0.19 at room temperature.
International Nuclear Information System (INIS)
Nogueira, J.C.; Dallavalli, M.J.
1992-01-01
Absolute elastic differential cross sections have been measured for incident electron energies between 75 and 1000 eV and in the angular range between 10 0 to 120 0 . The relative flow technique was used and nitrogen was the secondary gas standard. Integral cross sections have also been determined from extrapolation of the differential cross sections. The data are compared with previous experimental data, showing good agreement. (author)
International Nuclear Information System (INIS)
Fahad, Shah; Murtaza, G.; Ouahrani, T.; Khenata, R.; Yousaf, Masood; Omran, S.Bin; Mohammad, Saleh
2015-01-01
A first principles density functional theory (DFT) technique is used to study the structural, chemical bonding, electronic and optical properties of BeAZ 2 (A = Si, Ge, Sn; Z = P, As) chalcopyrite materials. The calculated parameters are in good agreement with the available experimental results. The lattice constants and the equilibrium volume increased as we moved from Si to Ge to Sn, whereas the c/a and internal parameters u decreased by shifting the cation from P to As. These compounds are elastically stable. An investigation of the band gap using the WC-GGA, EV-GGA, PBE-GGA and mBJ-metaGGA potentials suggested that BeSiP 2 and BeSiAs 2 are direct band gap compounds, whereas BeGeP 2, BeGeAs 2, BeSnP 2, BeSnAs 2 are indirect band gap compounds. The energy band gaps decreased by changing B from Si to Sn and increased by changing the anion C from P to As. The bonding among the cations and anions is primarily ionic. In the optical properties, the real and imaginary parts of the dielectric functions, reflectivity and optical conductivity have been studied over a wide energy range. - Highlights: • The compounds are studied by FP-LAPW method within mBJ approximation. • All of the studied materials show isotropic behaviour. • All the compounds show direct band gap nature. • Bonding nature is mostly covalent among the studied compounds. • High absorption peaks and reflectivity ensures there utility in optoelectronic devices
A new experimental limit for the stability of the electron
International Nuclear Information System (INIS)
Klapdor-Kleingrothaus, H.V.; Krivosheina, I.V.; Titkova, I.V.
2007-01-01
A lower limit of >1.22x10 26 yr (68% c.l.) has been determined for the mean life time of electron decay via the branch e - ->γ+ν e . The limit was deduced from the spectra measured in the period 1995-2003 with the full set-up of 5 enriched 76 Ge detectors of the Heidelberg-Moscow ββ experiment in the Gran Sasso underground laboratory. One of the detectors, and the setup 1 consisting of four detectors show an indication of a signal on a 1.4σ C.L. The best limit given by a single detector is 1.93x10 26 yr. The result is the by far sharpest limit obtained with Ge detectors. When comparing it with other limits, e.g. that from Borexino [H.O. Back, et al., Phys. Lett. B 525 (2002) 29] it may be essential to note that the present limit has been deduced from the raw data without any treatment of the background, and also, that the energy resolution in the present experiment is much larger than in the other most sensitive experiments. Combined with the best laboratory limit on the photon mass the present result gives the following restriction for charge nonconservation: ε eνγ -98 (68% c.l.) or -97 (90% c.l.)
Benahmed, A.; Bouhemadou, A.; Alqarni, B.; Guechi, N.; Al-Douri, Y.; Khenata, R.; Bin-Omran, S.
2018-05-01
First-principles calculations were performed to investigate the structural, elastic, electronic, optical and thermoelectric properties of the Zintl-phase Ae3AlAs3 (Ae = Sr, Ba) using two complementary approaches based on density functional theory. The pseudopotential plane-wave method was used to explore the structural and elastic properties whereas the full-potential linearised augmented plane wave approach was used to study the structural, electronic, optical and thermoelectric properties. The calculated structural parameters are in good consistency with the corresponding measured ones. The single-crystal and polycrystalline elastic constants and related properties were examined in details. The electronic properties, including energy band dispersions, density of states and charge-carrier effective masses, were computed using Tran-Blaha modified Becke-Johnson functional for the exchange-correlation potential. It is found that both studied compounds are direct band gap semiconductors. Frequency-dependence of the linear optical functions were predicted for a wide photon energy range up to 15 eV. Charge carrier concentration and temperature dependences of the basic parameters of the thermoelectric properties were explored using the semi-classical Boltzmann transport model. Our calculations unveil that the studied compounds are characterised by a high thermopower for both carriers, especially the p-type conduction is more favourable.
Energy Technology Data Exchange (ETDEWEB)
Santhosh, M.; Rajeswarapalanichamy, R., E-mail: rajeswarapalanichamy@gmail.com; Priyanga, G. Sudha; Cinthia, A. Jemmy [Department of physics, N.M.S.S.V.N college, Madurai, Tamilnadu-625019 (India); Kanagaprabha, S. [Department of Physics, Kamaraj College, Tuticorin, Tamil Nadu 628003 (India); Iyakutti, K. [Department of Physics and Nanotechnology, SRM University, Chennai, Tamilnadu-603203 (India)
2015-06-24
Ab initio calculations are performed to investigate the structural stability, electronic structure and mechanical properties of BeAlH{sub 5} for monoclinic crystal structures with two different types of space group namely P2{sub 1} and C{sub 2}/c. Among the considered structures monoclinic (P2{sub 1}) phase is found to be the most stable at ambient condition. The structural phase transition from monoclinic (P2{sub 1}) to monoclinic (C{sub 2}/c) phase is observed in BeAlH{sub 5}. The electronic structure reveals that this compound is insulator. The calculated elastic constants indicate that this material is mechanically stable at ambient condition.
Metal-dielectric interfaces in gigascale electronics thermal and electrical stability
He, Ming
2012-01-01
Metal-dielectric interfaces are ubiquitous in modern electronics. As advanced gigascale electronic devices continue to shrink, the stability of these interfaces is becoming an increasingly important issue that has a profound impact on the operational reliability of these devices. In this book, the authors present the basic science underlying the thermal and electrical stability of metal-dielectric interfaces and its relationship to the operation of advanced interconnect systems in gigascale electronics. Interface phenomena, including chemical reactions between metals and dielectrics, metallic-atom diffusion, and ion drift, are discussed based on fundamental physical and chemical principles. Schematic diagrams are provided throughout the book to illustrate interface phenomena and the principles that govern them. Metal-Dielectric Interfaces in Gigascale Electronics provides a unifying approach to the diverse and sometimes contradictory test results that are reported in the literature on metal-dielectric i...
Energy Technology Data Exchange (ETDEWEB)
Li, Li; Wang, Y.-J. [College of Mathematics and Physics, Chongqing University of Posts and Telecommunications, 2 Chongwen Road, Nan' an District, Chongqing 400065 (China); Institute of Physics, Polish Academy of Sciences, Al. Lotników 32/46, 02-668 Warsaw (Poland); Liu, D.-X.; Ma, C.-G. [College of Mathematics and Physics, Chongqing University of Posts and Telecommunications, 2 Chongwen Road, Nan' an District, Chongqing 400065 (China); Brik, M.G., E-mail: mikhail.brik@ut.ee [College of Mathematics and Physics, Chongqing University of Posts and Telecommunications, 2 Chongwen Road, Nan' an District, Chongqing 400065 (China); Institute of Physics, University of Tartu, W. Ostwald Str. 1, Tartu 50411 (Estonia); Institute of Physics, Jan Długosz University, Armii Krajowej 13/15, PL-42200 Częstochowa (Poland); Suchocki, A. [College of Mathematics and Physics, Chongqing University of Posts and Telecommunications, 2 Chongwen Road, Nan' an District, Chongqing 400065 (China); Institute of Physics, Polish Academy of Sciences, Al. Lotników 32/46, 02-668 Warsaw (Poland); Institute of Physics, Kazimierz Wielki University, Weyssenhoffa 11, 85-072 Bydgoszcz (Poland); Piasecki, M. [Institute of Physics, Jan Długosz University, Armii Krajowej 13/15, PL-42200 Częstochowa (Poland); Reshak, A.H. [New Technologies – Research Centre, University of West Bohemia, Univerzitni 8, 306 14 Pilsen (Czech Republic); School of Material Engineering, University Malaysia Perlis, 01007 Kangar, Perlis (Malaysia)
2017-02-15
Three fluoroperovskites with the general formula XCaF{sub 3} (X = K, Rb, Cs) have been systematically studied using the first-principles methods. The structural, electronic, optical, elastic and thermodynamic properties of these three compounds were calculated at the ambient and elevated hydrostatic pressure. Variation of all these properties with pressure was analyzed; it was shown that the structural and elastic constants change linearly with increased pressure, whereas the calculated band gaps follow the quadratic dependence on pressure. Influence of the first cation variation (K – Rb – Cs) on these properties was discussed. Elastic anisotropy (directional dependence of the Young moduli) of these compounds was modeled and analyzed for the first time. - Highlights: • Three cubic perovskites XCaF{sub 3} (X = K, Rb, Cs) were studied by ab initio methods. • Systematic variation of physical properties with the first cation change was traced. • Pressure effects on physical properties were calculated and modeled. • Debye temperature and Grüneisen constant for all materials were calculated for the first time. • Elastic anisotropy was visualized by plotting Young moduli directional dependences.
Didier, P; Piotrowski, B; Fischer, M; Laheurte, P
2017-05-01
The advent of new manufacturing technologies such as additive manufacturing deeply impacts the approach for the design of medical devices. It is now possible to design custom-made implants based on medical imaging, with complex anatomic shape, and to manufacture them. In this study, two geometrical configurations of implant devices are studied, standard and anatomical. The comparison highlights the drawbacks of the standard configuration, which requires specific forming by plastic strain in order to be adapted to the patient's morphology and induces stress field in bones without mechanical load in the implant. The influence of low elastic modulus of the materials on stress distribution is investigated. Two biocompatible alloys having the ability to be used with SLM additive manufacturing are considered, commercial Ti-6Al-4V and Ti-26Nb. It is shown that beyond the geometrical aspect, mechanical compatibility between implants and bones can be significantly improved with the modulus of Ti-26Nb implants compared with the Ti-6Al-4V. Copyright © 2016 Elsevier B.V. All rights reserved.
Hot electron plasma equilibrium and stability in the Constance B mirror experiment
International Nuclear Information System (INIS)
Chen, Xing.
1988-04-01
An experimental study of the equilibrium and macroscopic stability property of an electron cyclotron resonance heating (ECRH) generated plasma in a minimum-B mirror is presented. The Constance B mirror is a single cell quadrupole magnetic mirror in which high beta (β ≤ 0.3) hot electron plasmas (T/sub e/≅400 keV) are created with up to 4 kW of ECRH power. The plasma equilibrium profile is hollow and resembles the baseball seam geometry of the magnet which provides the confining magnetic field. This configuration coincides with the drift orbit of deeply trapped particles. The on-axis hollowness of the hot electron density profile is 50 /+-/ 10%, and the pressure profile is at least as hollow as, if not more than, the hot electron density profile. The hollow plasma equilibrium is macroscopically stable and generated in all the experimental conditions in which the machine has been operated. Small macroscopic plasma fluctuations in the range of the hot electron curvature drift frequency sometimes occur but their growth rate is small (ω/sub i//ω/sub r/ ≤ 10 -2 ) and saturate at very low level (δB//bar B/ ≤ 10 -3 ). Particle drift reversal is predicted to occur for the model pressure profile which best fits the experimental data under the typical operating conditions. No strong instability is observed when the plasma is near the drift reversal parameter regime, despite a theoretical prediction of instability under such conditions. The experiment shows that the cold electron population has no stabilizing effect to the hot electrons, which disagrees with current hot electron stability theories and results of previous maximum-B experiments. A theoretical analysis using MHD theory shows that the compressibility can stabilize a plasma with a hollowness of 20--30% in the Constance B mirror well. 57 refs
International Nuclear Information System (INIS)
Manna, Arun K.; Pati, Swapan K.
2013-01-01
Highlights: • Stability and electronic structure of various carbon capsules are studied. • Effects of capsule’s sizes on electronic and optical properties are explored. • Changes in cohesive and formation energy and electronic gap are discussed. • Capsule’s gas storage propensity is addressed using DFT and ab initio MD. • Capsule’s optical absorptions are discussed with and without stored gas molecules. - Abstract: Structures, electronic and optical properties of carbon nanocapsules of varying sizes (length and diameter) are studied using first-principles density functional theory. Based on calculated cohesive energy, formation energy, electronic gap and extent of orbital delocalization, we examine structural stability and changes in low-energy physics of these carbon capsules. We find that both cohesive and formation energy decrease with increase in capsule’s sizes, indicating their greater structural rigidity and favorable formation feasibility. The electronic gap also decreases with increase in capsule’s sizes due to the larger electronic delocalization. The simulated optical absorption spectra show lowering of low-energy peak positions with increase in the capsule’s dimensions, consistent with the reduction in electronic gap. Additionally, we also provide an estimate of gas storage capacity for the larger carbon capsule (C 460 ) considered. We find 7.69 wt.% and 28.08 wt.% storage propensity for hydrogen and carbon dioxide gases, respectively, which clearly suggests their potential use as light storage materials
Directory of Open Access Journals (Sweden)
Dellinger J.
2006-12-01
Full Text Available Inverting a set of core-sample traveltime measurements for a complete set of 21 elastic constants is a difficult problem. If the 21 elastic constants are directly used as the inversion parameters, a few bad measurements or an unfortunate starting guess may result in the inversion converging to a physically impossible solution . Even given perfect data, multiple solutions may exist that predict the observed traveltimes equally well. We desire the inversion algorithm to converge not just to a physically possible solution, but to the best(i. e. most physically likely solution of all those allowed. We present a new parameterization that attempts to solve these difficulties. The search space is limited to physically realizable media by making use of the Kelvin eigenstiffness-eigentensor representation of the 6 x 6 elastic stiffness matrix. Instead of 21 stiffnesses, there are 6 eigenstiffness parametersand 15 rotational parameters . The rotational parameters are defined using a Lie-algebra representation that avoids the artificial degeneracies and coordinate-system bias that can occur with standard polar representations. For any choice of these 21 real parameters, the corresponding stiffness matrix is guaranteed to be physically realizable. Furthermore, all physically realizable matrices can be represented in this way. This new parameterization still leaves considerable latitude as to which linear combinations of the Kelvin parameters to use, and how they should be ordered. We demonstrate that by careful choice and ordering of the parameters, the inversion can be relaxedfrom higher to lower symmetry simply by adding a few more parameters at a time. By starting from isotropy and relaxing to the general result in stages (isotropy, transverse isotropy, orthorhombic, general, we expect that the method should find the solution that is closest to isotropy of all those that fit the data. L'inversion d'un ensemble de mesures du temps de parcours d
Czech Academy of Sciences Publication Activity Database
Man, O.; Pantělejev, L.; Kunz, Ludvík
2010-01-01
Roč. 51, č. 2 (2010), s. 209-213 ISSN 1345-9678 R&D Projects: GA AV ČR 1QS200410502 Institutional research plan: CEZ:AV0Z20410507 Keywords : ultra-fine grained copper * thermal stability of microstructure * electron back scattering diffraction * grain size * texture Subject RIV: JG - Metallurgy Impact factor: 0.779, year: 2010
2011-09-28
...-0110] Tesla Motors, Inc.; Grant of Petition for Temporary Exemption From the Electronic Stability... notice grants the petition of Tesla Motors, Inc. (Tesla) for the temporary exemption of its Roadster... procedures in 49 CFR Part 555, Tesla Motors, Inc. (Tesla) submitted a petition dated June 7, 2011 asking the...
2011-08-05
...-0110] Tesla Motors, Inc.; Receipt of Petition for Temporary Exemption From the Electronic Stability... accordance with the procedures in 49 CFR part 555, Tesla Motors, Inc., has petitioned the agency for a... part 555, Tesla Motors, Inc. (Tesla) submitted a petition dated June 7, 2001 asking the agency for a...
International Nuclear Information System (INIS)
Qiu Feng; Shen Ping; Liu Tao; Lin Qiaoli; Jiang Qichuan
2010-01-01
Martensitic transformation, phase stability and electronic structure of Al-doped ZrCu intermetallics were investigated by experiments and first-principles calculations using the pseudopotentials plane wave method. The formation energy calculations indicate that the stability of the ZrCu phase increases with the increasing Al content. Al plays a decisive role in controlling the formation and microstructures of the martensite phases in Zr-Cu-Al alloys. The total energy difference between ZrCu (B2) austenite and ZrCu martensite plays an important role in the martensitic transformation. The phase stability is dependent on its electronic structure. The densities of states (DOS) of the intermetallics were discussed in detail.
International Nuclear Information System (INIS)
Tani, Tadaaki; Uchida, Takayuki
2015-01-01
Extremely high stability of Ag nanoparticles in photographic materials has forced us to study the electronic structures of the interfaces between thin layers of Ag, Au, and Pt and their surface membranes in ambient atmosphere by photoelectron yield spectroscopy in air and Kelvin probe method. Owing to the Fermi level equalization between a metal layer and a membrane coming from air, the electron transfer took place from the membrane to Pt and Au layers and from an Ag layer to the membrane, giving the reason for poor stability of Ag nanoparticles in air. The control of the Fermi level of an Ag layer with respect to that of a gelatin membrane in air could be widely made according to Nernst's equation by changing the pH and pAg values of an aqueous gelatin solution used to form the membrane, and thus available to stabilize Ag nanoparticles in a gelatin matrix. (author)
Energy Technology Data Exchange (ETDEWEB)
Yu, Ching-Feng [Department of Power Mechanical Engineering, National Tsing Hua University, Hsinchu 30013, Taiwan (China); Cheng, Hsien-Chie, E-mail: hccheng@fcu.edu.tw [Department of Aerospace and Systems Engineering, Feng Chia University, Taichung 40724, Taiwan (China); Chen, Wen-Hwa, E-mail: whchen@pme.nthu.edu.tw [Department of Power Mechanical Engineering, National Tsing Hua University, Hsinchu 30013, Taiwan (China)
2016-05-01
First principles density functional theory calculations within the generalized gradient approximation are performed to comprehensively study the structural, elastic, electronic and thermodynamic properties of triclinic single and polycrystalline Cu{sub 7}In{sub 3}. The polycrystalline elastic properties are predicted using the Voigt–Reuss–Hill approximation and the thermodynamic properties are evaluated based on the quasi-harmonic Debye model. Their temperature, hydrostatic pressure or crystal orientation dependences are also addressed, and the predicted physical properties are compared with the literature experimental and theoretical data and also with those of three other Cu–In compounds, i.e., CuIn, Cu{sub 2}In and Cu{sub 11}In{sub 9}. The present calculations show that in addition to being a much better conductor compared to Cu{sub 2}In and Cu{sub 11}In{sub 9}, Cu{sub 7}In{sub 3} crystal reveals weak elastic anisotropy, high ductility and low stiffness, and tends to become more elastically isotropic at very high hydrostatic pressure. Moreover, the Cu{sub 7}In{sub 3} holds the largest high-temperature heat capacity among the four Cu–In compounds. - Highlights: • The physical property of Cu{sub 7}In{sub 3} is reported by first-principles calculations. • Pressure effect on the physical property of Cu{sub 7}In{sub 3} is presented. • The calculated lattice constants of Cu{sub 7}In{sub 3} agree well with the experimental data. • Cu{sub 7}In{sub 3} tends to become more elastically isotropic at very high pressure. • The heat capacity of Cu{sub 7}In{sub 3} is much larger than that of CuIn, Cu{sub 2}In and Cu{sub 11}In{sub 9}.
International Nuclear Information System (INIS)
Qattan, I. A.; Alsaad, A.
2011-01-01
The most recent electron-proton elastic scattering data were re-analyzed using an empirical parametrization of the two-photon-exchange (TPE) effect contributions to σ R . The TPE effect contribution F(Q 2 ,ε) was double Taylor series expanded as a polynomial of order n keeping only terms linear in ε to account for the experimentally observed and verified linearity of the Rosenbluth plots. We fix the ratio R=G Ep /G Mp to be that obtained from a fit to the recoil-polarization data and parametrize σ R first by a three-parameter formula (fit I) and then by a two-parameter formula (fit III). In contrast to previous analyses, the fit parameter G Mp 2 as obtained from these fits is either smaller or equal to the values obtained from our conventional Rosenbluth fit (fit II) but never larger. The ratio g(Q 2 )/G Mp 2 which represents the ratio of the TPE and one-photon-exchange (OPE) effect contributions to the intercept of σ R is large and it ranges 3%-88%. The ratio R 1γx2γ =τf(Q 2 )/G Ep 2 which represents the ratio of the TPE and OPE effect contributions to the slope of σ R is also large, reaching a value of 12.0-14.4 at Q 2 = 5.25 (GeV/c) 2 . The ratio R 1γx2γ as obtained from fits I and III is consistent, within error, with those obtained from previous analyses. Our formulas seem to explain the linearity of σ R . Moreover, our analysis shows that the extracted G Ep 2 and G Mp 2 using the conventional Rosenbluth separation method can in fact be broken into the usual OPE and TPE contributions. Therefore, σ R can in fact be derived under weaker conditions than those imposed by the Born approximation. Our results show that the TPE amplitudes, g(Q 2 )/G Mp 2 and f(Q 2 )/G Mp 2 , are sizable and grow with Q 2 value up to Q 2 ∼6 (GeV/c) 2 in agreement with previous studies. A revision of and comparison to previous analyses are also presented.
International Nuclear Information System (INIS)
Louwe, R.J.W.; Tielenburg, R.; Ingen, K.M. van; Mijnheer, B.J.; Herk, M.B. van
2004-01-01
This study was performed to determine the stability of liquid-filled matrix ionization chamber (LiFi-type) electronic portal imaging devices (EPID) for dosimetric purposes. The short- and long-term stability of the response was investigated, as well as the importance of factors influencing the response (e.g., temperature fluctuations, radiation damage, and the performance of the electronic hardware). It was shown that testing the performance of the electronic hardware as well as the short-term stability of the imagers may reveal the cause of a poor long-term stability of the imager response. In addition, the short-term stability was measured to verify the validity of the fitted dose-response curve immediately after beam startup. The long-term stability of these imagers could be considerably improved by correcting for room temperature fluctuations and gradual changes in response due to radiation damage. As a result, the reproducibility was better than 1% (1 SD) over a period of two years. The results of this study were used to formulate recommendations for a quality control program for portal dosimetry. The effect of such a program was assessed by comparing the results of portal dosimetry and in vivo dosimetry using diodes during the treatment of 31 prostate patients. The improvement of the results for portal dosimetry was consistent with the deviations observed with the reproducibility tests in that particular period. After a correction for the variation in response of the imager, the average difference between the measured and prescribed dose during the treatment of prostate patients was -0.7%±1.5% (1 SD), and -0.6%±1.1% (1 SD) for EPID and diode in vivo dosimetry, respectively. It can be concluded that a high stability of the response can be achieved for this type of EPID by applying a rigorous quality control program
Electronic differential control of 2WD electric vehicle considering steering stability
Hua, Yiding; Jiang, Haobin; Geng, Guoqing
2017-03-01
Aiming at the steering wheel differential steering control technology of rear wheel independent driving electric wheel, considering the assisting effect of electronic differential control on vehicle steering, based on the high speed steering characteristic of electric wheel car, the electronic differential speed of auxiliary wheel steering is also studied. A yaw moment control strategy is applied to the vehicle at high speed. Based on the vehicle stability reference value, yaw rate is used to design the fuzzy controller to distribute the driving wheel torque. The simulation results show that the basic electronic differential speed function is realized based on the yaw moment control strategy, while the vehicle stability control is improved and the driving safety is enhanced. On the other hand, the torque control strategy can also assist steering of vehicle.
Zhou, Wenhan; Guo, Shiying; Liu, Xuhai; Cai, Bo; Song, Xiufeng; Zhu, Zhen; Zhang, Shengli
2018-01-01
We propose a family of hydrogenated- and halogenated-SbIV (SbIVX-2) materials that simultaneously have two-dimensional (2D) structures, high stability and appealing electronic properties. Based on first-principles total-energy and vibrational-spectra calculations, SbIVX-2 monolayers are found both thermally and dynamically stable. Varying IV and X elements can rationally tune the electronic properties of SbIVX-2 monolayers, effectively modulating the band gap from 0 to 3.42 eV. Regarding such superior stability and broad band-gap range, SbIVX-2 monolayers are expected to be synthesized in experiments and taken as promising candidates for low-dimensional electronic and optoelectronic devices, such as blue-to-ultraviolet light-emitting diodes (LED) and photodetectors.
Energy Technology Data Exchange (ETDEWEB)
Suzuki, H.; Yoshida, K. [The University of Tokyo, Tokyo (Japan)
1996-12-31
A policy of improving a very large floating body was planned based on its dynamic characteristics, and a proposal was made thereon. Furthermore, discussions were given on stability that considers effect of elastic deformation required when a structure is mounted on a floating body. With respect to a structural design of a very large floating body in which elastic response is governing, and upon modeling the very large floating body into an aeolotropic plate on an elastic supporting floor, it was shown that the existing range of natural vibration speed in the elastic response is in higher range than the natural vibration speed of heave. It was also indicated that the peak height of response to waves in resonance is inversely proportional to wave frequency, and furthermore, degree of flowing in of vibration energy during the resonance is determined by an inner product of spatial vibration patterns of wave force and the excited mode shape. A proposal was made on a floating body improved of excessive response in the floating body edges by changing the characteristics of the floating body edges. In addition, discussions were given on stability that considers elastic deformation of a floating body that becomes necessary when a structure, such as a building, is built on a very large floating body. 9 refs., 9 figs., 3 tabs.
Energy Technology Data Exchange (ETDEWEB)
Suzuki, H; Yoshida, K [The University of Tokyo, Tokyo (Japan)
1997-12-31
A policy of improving a very large floating body was planned based on its dynamic characteristics, and a proposal was made thereon. Furthermore, discussions were given on stability that considers effect of elastic deformation required when a structure is mounted on a floating body. With respect to a structural design of a very large floating body in which elastic response is governing, and upon modeling the very large floating body into an aeolotropic plate on an elastic supporting floor, it was shown that the existing range of natural vibration speed in the elastic response is in higher range than the natural vibration speed of heave. It was also indicated that the peak height of response to waves in resonance is inversely proportional to wave frequency, and furthermore, degree of flowing in of vibration energy during the resonance is determined by an inner product of spatial vibration patterns of wave force and the excited mode shape. A proposal was made on a floating body improved of excessive response in the floating body edges by changing the characteristics of the floating body edges. In addition, discussions were given on stability that considers elastic deformation of a floating body that becomes necessary when a structure, such as a building, is built on a very large floating body. 9 refs., 9 figs., 3 tabs.
International Nuclear Information System (INIS)
Grande, P.L.; Fichtner, P.F.P.; Behar, M.; Zawislak, E.F.C.
1988-01-01
Measurements of deepness of implanted ions in carbon films, show the possibility that the energy elastic component given to the medium, could be affected by the ineslastic stopping parcel, which could cause a total stopping power, smaller than the expected. (A.C.A.S.) [pt
Developing a stability assessment method for power electronics-based microgrids
Austin, Peter M.
Modern microgrids with microsources and energy storage are dependent on power electronics for control and regulation. Under certain circumstances power electronics can be destabilizing to the system due to an effect called negative incremental impedance. A careful review of the theory and literature on the subject is presented. This includes stability criteria for both AC and DC systems, as well as a discussion on the limitations posed by the analysis. A method to integrate stability assessment with higher-level microgrid architectural design is proposed. Crucial to this is impedance characterization of individual components, which was accomplished through simulation. DC and AC impedance measurement blocks were created in Matlab simulink to automate the process. A detailed switching-level model of a DC microgrid was implemented in simulink, including wind turbine microsource, battery storage, and three phase inverter. Maximum power point tracking (MPPT) was included to maximize the efficiency of the turbine and was implemented through three rectifier alternatives and control schemes. The stability characteristics of each was compared in the final analysis. Impedance data was collected individually from the components and used to assess stability in the system as a whole. The results included the assessment of stability, margin, and unstable operating points to demonstrate the feasibility of the proposed approach.
Mathematical methods in elasticity imaging
Ammari, Habib; Garnier, Josselin; Kang, Hyeonbae; Lee, Hyundae; Wahab, Abdul
2015-01-01
This book is the first to comprehensively explore elasticity imaging and examines recent, important developments in asymptotic imaging, modeling, and analysis of deterministic and stochastic elastic wave propagation phenomena. It derives the best possible functional images for small inclusions and cracks within the context of stability and resolution, and introduces a topological derivative-based imaging framework for detecting elastic inclusions in the time-harmonic regime. For imaging extended elastic inclusions, accurate optimal control methodologies are designed and the effects of uncertainties of the geometric or physical parameters on stability and resolution properties are evaluated. In particular, the book shows how localized damage to a mechanical structure affects its dynamic characteristics, and how measured eigenparameters are linked to elastic inclusion or crack location, orientation, and size. Demonstrating a novel method for identifying, locating, and estimating inclusions and cracks in elastic...
Ranković, Miloš Lj.; Maljković, Jelena B.; Tökési, Károly; Marinković, Bratislav P.
2018-02-01
Measurements and calculations for electron elastic differential cross sections (DCS) of argon atom in the energy range from 40 to 300 eV are presented. DCS have been measured in the crossed beam arrangement of the electron spectrometer with an energy resolution of 0.5 eV and angular resolution of 1.5∘ in the range of scattering angles from 20∘ to 126∘. Both angular behaviour and energy dependence of DCS are obtained in a separate sets of experiments, while the absolute scale is achieved via relative flow method, using helium as a reference gas. All data is corrected for the energy transmission function, changes of primary electron beam current and target pressure, and effective path length (volume correction). DCSs are calculated in relativistic framework by expressing the Mott's cross sections in partial wave expansion. Our results are compared with other available data.
International Nuclear Information System (INIS)
Yuan, J.; Zhang, Z.
1993-01-01
Spin polarizations (SP's) of elastic electron scattering from alkaline-earth-metal atoms in Ramsauer-Townsend (RT) and low-lying shape resonance (SR) regions are calculated using a relativistic method. The detailed SP distributions both with scattering angle and with electron energy are presented via the energy- and angle-dependent surfaces of SP parameters. It is shown that the SP effects of the collisions of electrons with Ca, Sr, and Ba atoms in the RT region are significant in a considerable area on the energy-angle plane and that the spin-orbit interaction is well increased around the low-lying p-wave SR states of Be and Mg and the d-wave SR states of Ca, Sr, and Ba
International Nuclear Information System (INIS)
Vinodkumar, Minaxi; Bhutadia, Harshad; Antony, Bobby; Mason, Nigel
2011-01-01
This paper reports computational results of the total cross sections for electron impact on H 2 CO and HCOOH over a wide range of electron impact energies from 0.01 eV to 2 keV. The total cross section is presented as sum of the elastic and electronic excitation cross sections for incident energies. The calculation uses two different methodologies, below the ionization threshold of the target the cross section is calculated using the UK molecular R-matrix code through the Quantemol-N software package while cross sections at higher energies are evaluated using the spherical complex optical potential formalism. The two methods are found to be consistent at the transition energy (∼15 eV). The present results are, in general, found to be in good agreement with previous experimental and theoretical results (wherever available) and, thus, the present results can serve as a benchmark for the cross section over a wide range of energy.
Energy Technology Data Exchange (ETDEWEB)
Zhao, Jun [College of Physical Science and Technology, Yangtze University, Jingzhou, Hubei 434023 (China); Zeng, Hui, E-mail: zenghui@yangtzeu.edu.cn [College of Physical Science and Technology, Yangtze University, Jingzhou, Hubei 434023 (China); Wei, Jianwei [College of Optoelectronic Information, Chongqing University of Technology, Chongqing 400054 (China); Li, Biao; Xu, Dahai [College of Physical Science and Technology, Yangtze University, Jingzhou, Hubei 434023 (China)
2014-01-17
Using the first principles calculations associated with nonequilibrium Green's function, we have studied the electronic structures and quantum transport properties of defective armchair graphene nanoribbon (AGNR) in the presence of divacancy defects. The triple pentagon–triple heptagon (555–777) defect in the defective AGNR is energetically more favorable than the pentagon–octagon–pentagon (5–8–5) defect. Our calculated results reveal that both 5–8–5-like defect and 555–777-like defect in AGNR could improve the electron transport. It is anticipated that defective AGNRs can exhibit large range variations in transport behaviors, which are strongly dependent on the distributions of the divacancy defect.
Monir, M. El Amine.; Baltache, H.; Murtaza, G.; Khenata, R.; Ahmed, Waleed K.; Bouhemadou, A.; Omran, S. Bin; Seddik, T.
2015-01-01
Based on first principles spin-polarized density functional theory, the structural, elastic electronic and magnetic properties of Zn1-xVxSe (for x=0.25, 0.50, 0.75) in zinc blende structure have been studied. The investigation was done using the full-potential augmented plane wave method as implemented in WIEN2k code. The exchange-correlation potential was treated with the generalized gradient approximation PBE-GGA for the structural and elastic properties. Moreover, the PBE-GGA+U approximation (where U is the Hubbard correlation terms) is employed to treat the "d" electrons properly. A comparative study between the band structures, electronic structures, total and partial densities of states and local moments calculated within both GGA and GGA+U schemes is presented. The analysis of spin-polarized band structure and density of states shows the half-metallic ferromagnetic character and are also used to determine s(p)-d exchange constants N0α (conduction band) and N0β (valence band) due to Se(4p)-V(3d) hybridization. It has been clearly evidence that the magnetic moment of V is reduced from its free space change value of 3 μB and the minor atomic magnetic moment on Zn and Se are generated.
Deluque Toro, C. E.; Mosquera Polo, A. S.; Gil Rebaza, A. V.; Landínez Téllez, D. A.; Roa-Rojas, J.
2018-04-01
We report first-principles calculations of the elastic properties, electronic structure and magnetic behavior performed over the Ba2NiMoO6 double perovskite. Calculations are carried out through the full-potential linear augmented plane-wave method within the framework of the Density Functional Theory (DFT) with exchange and correlation effects in the Generalized Gradient and Local Density Approximations, including spin polarization. The elastic properties calculated are bulk modulus (B), the elastic constants (C 11, C 12 and C 44), the Zener anisotropy factor (A), the isotropic shear modulus (G), the Young modulus (Y) and the Poisson ratio (υ). Structural parameters, total energies and cohesive properties of the perovskite are studied by means of minimization of internal parameters with the Murnaghan equation, where the structural parameters are in good agreement with experimental data. Furthermore, we have explored different antiferromagnetic configurations in order to describe the magnetic ground state of this compound. The pressure and temperature dependence of specific heat, thermal expansion coefficient, Debye temperature and Grüneisen parameter were calculated by DFT from the state equation using the quasi-harmonic model of Debye. A specific heat behavior C V ≈ C P was found at temperatures below T = 400 K, with Dulong-Petit limit values, which is higher than those, reported for simple perovskites.
Energy Technology Data Exchange (ETDEWEB)
Liu, Yanjun [Key Laboratory of Oil and Gas Equipment of Ministry of Education, Southwest Petroleum University, Chengdu, Sichuan 610500 (China); Huang, Huawei [National Key Laboratory for Nuclear Fuel and Materials, Nuclear Power of China, Chengdu, Sichuan 610041 (China); Pan, Yong, E-mail: yongpanyn@163.com [State Key Laboratory of Advanced Technologies for Comprehensive Utilization of Platinum Metals, Kunming 650106 (China); Zhao, Guanghui; Liang, Zheng [Key Laboratory of Oil and Gas Equipment of Ministry of Education, Southwest Petroleum University, Chengdu, Sichuan 610500 (China)
2014-06-01
Highlights: • The phase transition of Pt{sub 3}Al alloys occurs at 60 GPa. • The elastic modulus of Pt{sub 3}Al alloys increase with increasing pressure. • The cubic structure has good resistance to volume deformation under high pressure. • The pressure enhances the hybridization between Pt atom and Al atom. - Abstract: The phase transition, formation enthalpies, elastic properties and electronic structure of Pt{sub 3}Al alloys are studied using first-principle approach. The calculated results show that the pressure leads to phase transition from tetragonal structure to cubic structure at 60 GPa. With increasing pressure, the elastic constants, bulk modulus and shear modulus of these Pt{sub 3}Al alloys increase linearly and the bond lengths of Pt–Al metallic bonds and the peak at E{sub F} decrease. The cubic Pt{sub 3}Al alloy has excellent resistance to volume deformation under high pressure. We suggest that the phase transition is derived from the hybridization between Pt and Al atoms for cubic structure is stronger than that of tetragonal structure and forms the strong Pt–Al metallic bonds under high pressure.
International Nuclear Information System (INIS)
Liu, Yanjun; Huang, Huawei; Pan, Yong; Zhao, Guanghui; Liang, Zheng
2014-01-01
Highlights: • The phase transition of Pt 3 Al alloys occurs at 60 GPa. • The elastic modulus of Pt 3 Al alloys increase with increasing pressure. • The cubic structure has good resistance to volume deformation under high pressure. • The pressure enhances the hybridization between Pt atom and Al atom. - Abstract: The phase transition, formation enthalpies, elastic properties and electronic structure of Pt 3 Al alloys are studied using first-principle approach. The calculated results show that the pressure leads to phase transition from tetragonal structure to cubic structure at 60 GPa. With increasing pressure, the elastic constants, bulk modulus and shear modulus of these Pt 3 Al alloys increase linearly and the bond lengths of Pt–Al metallic bonds and the peak at E F decrease. The cubic Pt 3 Al alloy has excellent resistance to volume deformation under high pressure. We suggest that the phase transition is derived from the hybridization between Pt and Al atoms for cubic structure is stronger than that of tetragonal structure and forms the strong Pt–Al metallic bonds under high pressure
Zhu, Haiyan; Shi, Liwei; Li, Shuaiqi; Duan, Yifeng; Zhang, Shaobo; Xia, Wangsuo
2018-04-01
The effects of hydrostatic pressure and biaxial strains on the elastic and electronic properties of a superhard material t-C8B2N2 have been studied using first-principles calculations. The structure is proven to be mechanically and dynamically stable under the applied external forces. All the elastic constants (except C66) and elastic modulus increase (decrease) with increasing pressure and compressive (tensile) biaxial strain ɛxx. A microscopic model is used to calculate the Vicker's hardness of every single bond as well as the crystal. The hardness of t-C8B2N2 (64.7 GPa) exceeds that of c-BN (62 GPa) and increases obviously by employing pressure and compressive ɛxx. Furthermore, the Debye temperature and anisotropy of sound velocities for t-C8B2N2 have been discussed. t-C8B2N2 undergoes an indirect to direct bandgap transition when ɛxx > 2%; however, the indirect bandgap character of the material remains under pressure.
International Nuclear Information System (INIS)
Euteneuer, H.; Friedrich, J.; Voegler, N.
1978-01-01
Elastic electron scattering cross sections and cross-section ratios have been measured for the stable Bi, Pb and Ti isotopes. The data are analysed with the Fourier-Bessel method and the charge-distribution differences of the isotonic and isotopic pairs are presented as well as the Fourier-Bessel coefficients of the seven single nuclei. To improve the accuracy of the results, muonic X-ray data are incorporated into the analysis. The measured Δrho(r) are compared with the simple shell model, where the stretching due to the additional nucleons is taken into account, and with more sophisticated HF calculations. (Auth.)
On the way to stabilized laser-driven GeV electrons
Energy Technology Data Exchange (ETDEWEB)
Chou, Shao-wei; Weineisen, Tobias; Fuchs, Matthias; Popp, Antonia; Major, Zsuzsanna; Weingartner, Raphael; Ahmad, Izhar; Schmid, Karl; Marx, Benjamin; Krausz, Ferenc; Gruener, Florian; Karsch, Stefan [Max-Planck Institute of Quantum Optics, Munich (Germany); Ludwig-Maximilians University, Munich (Germany); Osterhoff, Jens [LOASIS Program, Lawrence Livermore National Laboratory, Livermore (United States); Schroeder, Hartmut; Haas, Harald [Max-Planck Institute of Quantum Optics, Munich (Germany); Rowlands-Rees, Tom; Hooker, Simon [University of Oxford, Oxford (United Kingdom)
2010-07-01
Laser-driven-wakefield electron accelerators have shown electron beams with energies of up to 1 GeV from a centimeter-scale plasma accelerator. In order to achieve higher electron energies, these acceleration distances need to be increased. This can be realized with a discharge capillary. However, a discharge typically introduces instabilities on both pointing and energy of the generated electrons. In order to improve the stability, we demonstrate a preliminary test of a modified discharge which includes a pre-pulse circuit before the firing of the main pulse. We also show gas density shaping by a laser- machined nozzle which should be able to make a more precise injection in the capillary accelerator thus reducing the energy instability.
Directory of Open Access Journals (Sweden)
Kupavtsev Vladimir Vladimirovich
2014-02-01
Full Text Available The method of two-sided evaluations is extended to the problems of stability of an elastic non-uniformly compressed rod, the variation formulations of which may be presented in terms of internal bending moments with uniform integral conditions. The problems are considered, in which one rod end is fixed and the other rod end is either restraint or pivoted, or embedded into a support which may be shifted in a transversal direction.For the substantiation of the lower evaluations determination, a sequence of functionals is constructed, the minimum values of which are the lower evaluations for the minimum critical value of the loading parameter of the rod, and the calculation process is reduced to the determination of the maximum eigenvalues of modular matrices. The matrix elements are expressed in terms of integrals of basic functions depending on the type of fixation of the rod ends. The basic functions, with the accuracy up to a linear polynomial, are the same as the bending moments arising with the bifurcation of the equilibrium of a rod with a constant cross-section compressed by longitudinal forces at the rod ends. The calculation of the upper evaluation is reduced to the determination of the maximum eigenvalue of the matrix, which almost coincides with one of the elements of the modular matrices. It is noted that the obtained upper bound evaluation is not worse thanthe evaluation obtained by the Ritz method with the use of the same basic functions.
Van Troeye, Benoit; van Setten, Michiel Jan; Giantomassi, Matteo; Torrent, Marc; Rignanese, Gian-Marco; Gonze, Xavier
2017-01-01
Using density functional theory (DFT) and density functional perturbation theory (DFPT), we investigate the stability and response functions of CsH2PO4 , a ferroelectric material at low temperature. This material cannot be described properly by the usual (semi)local approximations within DFT. The long-range e--e- correlation needs to be properly taken into account, using, for instance, Grimme's DFT-D methods, as investigated in this work. We find that DFT-D3(BJ) performs the best for the members of the dihydrogenated alkali phosphate family (KH2PO4 , RbH2PO4 , CsH2PO4 ), leading to experimental lattice parameters reproduced with an average deviation of 0.5%. With these DFT-D methods, the structural, dielectric, vibrational, and mechanical properties of CsH2PO4 are globally in excellent agreement with the available experiments (<2 % MAPE for Raman-active phonons). Our study suggests the possible existence of a new low-temperature phase of CsH2PO4 , not yet reported experimentally. Finally, we report the implementation of DFT-D contributions to elastic constants within DFPT.
Stability, electronic and thermodynamic properties of aluminene from first-principles calculations
International Nuclear Information System (INIS)
Yuan, Junhui; Yu, Niannian; Xue, Kanhao; Miao, Xiangshui
2017-01-01
Highlights: • We have predicted two NEW stable phases of atomic layer aluminum, buckled and 8-Pmmn aluminene. • We have revealed the electronic structures and bonding characteristics of aluminene. • Thermodynamic properties of aluminene were investigated based on phonon properties. - Abstract: Using first-principles calculations based on density functional theory (DFT), we have investigated the structure stability and electronic properties of both buckled and 8-Pmmn phase aluminene. Phonon dispersion analysis reveals that the buckled and 8-Pmmn aluminene are dynamically stable. The band structure shows that both the buckled and 8-Pmmn aluminene exhibit metallic behavior. Finally, the thermodynamic properties are investigated based on phonon properties.
Stability of amorphous Ge-As(Sb)-Se films to high-energy electron irradiation
International Nuclear Information System (INIS)
Savchenko, N.D.
1999-01-01
The results of the investigation of high-energy electron (6.5 MeV) irradiation effect on structure, optical, electrical and mechanical properties for thin films obtained by thermal evaporation of Ge-As-Se and Ge-Sb-Se glasses have been presented. The electron-induced changes in film properties versus average coordination number and relative free volume for bulk glasses have been discussed. It has been found that the higher radiation stability is characteristic to the films deposited from the glasses with the lower relative free volume
EPR study of electron traps in x-ray-irradiated yttria-stabilized zirconia
International Nuclear Information System (INIS)
Azzoni, C.B.; Paleari, A.
1989-01-01
Single crystals of yttria-stabilized zirconia (12 mol % of Y 2 O 3 ) have been x-ray irradiated at room temperature. The electron paramagnetic resonance spectrum of the filled electron traps is analyzed in terms of a single oxygen vacancy type of defect with its symmetry axis along the left-angle 111 right-angle direction. The angular dependence of the linewidth and the asymmetry of the line shape are attributed to the disordered rearrangements of the anion sublattice surrounding the oxygen vacancy. This affects the local crystal fields and the directions of the symmetry axis of the defects
EPR study of electron traps in x-ray-irradiated yttria-stabilized zirconia
Energy Technology Data Exchange (ETDEWEB)
Azzoni, C.B.; Paleari, A. (Dipartimento di Fisica, Alessandro Volta dell' Universita di Pavia, via Bassi 6, 27100 Pavia, Italy (IT))
1989-10-01
Single crystals of yttria-stabilized zirconia (12 mol % of Y{sub 2}O{sub 3}) have been x-ray irradiated at room temperature. The electron paramagnetic resonance spectrum of the filled electron traps is analyzed in terms of a single oxygen vacancy type of defect with its symmetry axis along the {l angle}111{r angle} direction. The angular dependence of the linewidth and the asymmetry of the line shape are attributed to the disordered rearrangements of the anion sublattice surrounding the oxygen vacancy. This affects the local crystal fields and the directions of the symmetry axis of the defects.
Stability, electronic and thermodynamic properties of aluminene from first-principles calculations
Energy Technology Data Exchange (ETDEWEB)
Yuan, Junhui [School of Optical and Electronic Information, Huazhong University of Science and Technology, Wuhan, Hubei 430074 (China); Yu, Niannian [School of Science, Wuhan University of Technology, Wuhan, Hubei 430070 (China); Xue, Kanhao, E-mail: xkh@hust.edu.cn [School of Optical and Electronic Information, Huazhong University of Science and Technology, Wuhan, Hubei 430074 (China); Miao, Xiangshui [School of Optical and Electronic Information, Huazhong University of Science and Technology, Wuhan, Hubei 430074 (China)
2017-07-01
Highlights: • We have predicted two NEW stable phases of atomic layer aluminum, buckled and 8-Pmmn aluminene. • We have revealed the electronic structures and bonding characteristics of aluminene. • Thermodynamic properties of aluminene were investigated based on phonon properties. - Abstract: Using first-principles calculations based on density functional theory (DFT), we have investigated the structure stability and electronic properties of both buckled and 8-Pmmn phase aluminene. Phonon dispersion analysis reveals that the buckled and 8-Pmmn aluminene are dynamically stable. The band structure shows that both the buckled and 8-Pmmn aluminene exhibit metallic behavior. Finally, the thermodynamic properties are investigated based on phonon properties.
Field stability by the electron beam in a warm magnetized plasma-filled waveguide
International Nuclear Information System (INIS)
Khalil, Sh.M.; Sayed, Y.A.; EI-Shorbagy, Kh.H.; EI-Gendy, A.T.
2002-11-01
We study the effect of the electron beam on the field stability and minimizing the energy losses in waveguide filled with plasma. Analytical calculations are performed to find the plasma dielectric tensor. By applying the boundary conditions at the plasma-conductor interface, we derive the dispersion equations, which describe the propagated E- and H- waves and their damping rate. The necessary condition for the field stability in the waveguide and the amplification coefficient for the E- wave are obtained. Realistic plasma conditions (i.e. its warmness and inhomogeneity under the effect of an external static magnetic field) are taken into consideration. The electron beam is found to play a crucial role in controlling the field attenuation in waveguide. (author)
Site selection of active damper for stabilizing power electronics based power distribution system
DEFF Research Database (Denmark)
Yoon, Changwoo; Wang, Xiongfei; Bak, Claus Leth
2015-01-01
electronics based power device, which provides an adjustable damping capability to the power system where the voltage harmonic instability is measured. It can stabilize by adjusting the equivalent node impedance with its plug and play feature. This feature gives many degrees of freedom of its installation......Stability in the nowadays distribution power system is endangered by interaction problems that may arise from newly added power-electronics based power devices. Recently, a new concept to deal with this higher frequency instability, the active damper, has been proposed. The active damper is a power...... point when the system has many nodes. Therefore, this paper addresses the proper placement of an active damper in an unstable small-scale power distribution system. A time-domain model of the Cigre benchmark low-vltage network is used as a test field. The result shows the active damper location...
International Nuclear Information System (INIS)
La Haye, R.J.; Ferron, J.R.; Humphreys, D.A.; Luce, T.C.; Petty, C.C.; Prater, R.; Strait, E.J.; Welander, A.S.
2008-01-01
ITER will rely on electron cyclotron stabilization of neoclassical tearing mode islands. The large size and low torque applied in ITER imply slow plasma rotation and susceptibility to island locking by the resistive wall; locking is likely to lead to a loss of the high confinement H-mode, a beta collapse and possibly disruption. 'Front' steering of the launcher, with narrower electron cyclotron current drive (ECCD), has resolved the issue in 'remote' steering of the driven current being too broad and relatively ineffective. However, narrower current drive places demands on alignment of the current drive on the rational surface that is being stabilized. DIII-D alignment techniques with and without (preemptive) an island are reviewed. The results are used to check models for the effect of misalignment and are then applied to ITER. Criteria for accuracy of alignment as a function of injected power and for the necessary time response of the controller are presented
International Nuclear Information System (INIS)
Ledbetter, H.M.
1983-01-01
This chapter investigates the following five aspects of engineering-material solid-state elastic constants: general properties, interrelationships, relationships to other physical properties, changes during cooling from ambient to near-zero temperature, and near-zero-temperature behavior. Topics considered include compressibility, bulk modulus, Young's modulus, shear modulus, Poisson's ratio, Hooke's law, elastic-constant measuring methods, thermodynamic potentials, higher-order energy terms, specific heat, thermal expansivity, magnetic materials, structural phase transitions, polymers, composites, textured aggregates, and other-phenomena correlations. Some of the conclusions concerning polycrystalline elastic properties and their temperature dependence are: elastic constants are physical, not mechanical, properties which relate thermodynamically to other physical properties such as specific heat and thermal expansivity; elastic constants at low temperatures are nearly temperature independent, as required by the third law of thermodynamics; and elastic constants can be used to study directional properties of materials, such as textured aggregates and composites
International Nuclear Information System (INIS)
Tromp, R.M.; Schramm, S.M.
2013-01-01
The Contrast Transfer Function (CTF) describes the manner in which the electron microscope modifies the object exit wave function as a result of objective lens aberrations. For optimum resolution in C 3 -corrected microscopes it is well established that a small negative value of C 3 , offset by positive values of C 5 and defocus C 1 results in the most optimal instrument resolution, and optimization of the CTF has been the subject of several studies. Here we describe a simple design procedure for the CTF that results in a most even transfer of information below the resolution limit. We address not only the resolution of the instrument, but also the stability of the CTF in the presence of small disturbances in C 1 and C 3 . We show that resolution can be traded for stability in a rational and transparent fashion. These topics are discussed quantitatively for both weak-phase and strong-phase (or amplitude) objects. The results apply equally to instruments at high electron energy (TEM) and at very low electron energy (LEEM), as the basic optical properties of the imaging lenses are essentially identical. - Highlights: ► An optimized Contrast Transfer Function for aberration corrected electron microscopes is proposed. ► Based on the properties of the CTF near optimum settings, we address its stability. ► Over some range of parameters resolution can be traded for stability. ► These issues are addressed for weak-phase objects, as well as strong-phase and amplitude object. ► We compare our results with CTF settings previously proposed
Energy Technology Data Exchange (ETDEWEB)
Katoch, Neha, E-mail: nehakatoch2@gmail.com; Kapoor, Pooja; Sharma, Munish; Ahluwalia, P. K. [Physics Department, Himachal Pradesh University, Shimla, Himachal Pradesh, India 171005 (India); Kumar, Ashok [Center for Physical Sciences, School of Basic and Applied Sciences, Central University of Punjab, Bathinda, India, 151001 (India)
2016-05-23
We report stability and electronic properties of benzene molecule adsorbed on the Au atomic layer within the framework of density function theory (DFT). Horizontal configuration of benzene on the top site of Au monolayer prefers energetically over other studied configurations. On the adsorption of benzene, the ballistic conductance of Au monolayer is found to decrease from 4G{sub 0} to 2G{sub 0} suggesting its applications for the fabrications of organic sensor devices based on the Au atomic layers.
Valence electron structure and properties of stabilized ZrO2
Institute of Scientific and Technical Information of China (English)
LI JinPing; HAN JieOai; MENG SongHe; ZHANG XingHong
2008-01-01
To reveal the properties of stabilizers in ZrO2 on nanoscopic levels,the valence elec-tron structures of four stable ZrO2 phases and c-ZrO2 were analyzed on the basis of the empirical electron theory of solids and molecules.The results showed that the hybridization levels of Zr atoms in c-ZrO2 doped with Ca and Mg dropped from B17 to B13,the hybridization levels of Zr atoms in c-ZrO2 doped with Y and Ce dropped from B17 to B15,and that the four stabilizing atoms all made the hybridization levels of O atoms drop from level 4 to level 2.The numbers of covalent electrons in the strongest covalent bond in the descending order are c-ZrO2>ZrCeO2>ZrYOZrMgO>ZrCaO.The bond energies of the strongest covalent bond and the melting points of the solid solutions in the descending order are ZrCeO2>c-ZrO2>ZrYO>ZrMgO>ZrCaO.The percent-ages of the total number of covalent electrons in the descending order arec-ZrO2>ZrYO> ZrCeO2>ZrMgO> ZrCaO.From the above analysis,it can be concluded that the stabilizing degrees of the four stabilizers in the descending order are CaO> MgO>Y2O3>CeO2.
Energy Technology Data Exchange (ETDEWEB)
Yang, L., E-mail: qiaoqin.yang@mail.usask.ca; Yang, Q.; Zhang, C.; Li, Y.S.
2013-12-31
A double-layered nanostructure consisting of a layer of vertically aligned Carbon Nanotubes (CNTs) and a layer of diamond beneath has been synthesized on silicon substrate by Hot Filament Chemical Vapor Deposition. The synthesis was achieved by first depositing a layer of diamond on silicon and then depositing a top layer of vertically aligned CNTs by applying a negative bias on the substrate holder. The growth of CNTs was catalyzed by a thin layer of spin-coated iron nitride. The surface morphology and structure of the CNTs/diamond double-layered structure were characterized by Scanning Electron Microscope, Energy Dispersive X-ray spectrum, and Raman Spectroscopy. Their field electron emission (FEE) properties were measured by KEITHLEY 237 high voltage measurement unit, showing much higher FEE current stability than single layered CNTs. - Highlights: • A new double-layered nanostructure consisting of a layer of vertically aligned CNTs and a layer of diamond beneath has been synthesized by hot filament chemical vapor deposition. • This double-layered structure exhibits superior field electron emission stability. • The improvement of emission stability is due to the combination of the unique properties of diamond and CNTs.
On the optical stability of high-resolution transmission electron microscopes
International Nuclear Information System (INIS)
Barthel, J.; Thust, A.
2013-01-01
In the recent two decades the technique of high-resolution transmission electron microscopy experienced an unprecedented progress through the introduction of hardware aberration correctors and by the improvement of the achievable resolution to the sub-Ångström level. The important aspect that aberration correction at a given resolution requires also a well defined amount of optical stability has received little attention so far. Therefore we investigate the qualification of a variety of high-resolution electron microscopes to maintain an aberration corrected optical state in terms of an optical lifetime. We develop a comprehensive statistical framework for the estimation of the optical lifetime and find remarkably low values between tens of seconds and a couple of minutes. Probability curves are introduced, which inform the operator about the chance to work still in the fully aberration corrected state. - Highlights: • We investigate the temporal stability of optical aberrations in HRTEM. • We develop a statistical framework for the estimation of optical lifetimes. • We introduce plots showing the success probability for aberration-free work. • Optical lifetimes in sub-Ångström electron microscopy are surprisingly low. • The success of aberration correction depends strongly on the optical stability
Energy Technology Data Exchange (ETDEWEB)
Costa, Romarly F. da [Instituto de Física “Gleb Wataghin,” Universidade Estadual de Campinas, 13083-859 Campinas, São Paulo (Brazil); Centro de Ciências Naturais e Humanas, Universidade Federal do ABC, 09210-580 Santo André, São Paulo (Brazil); Oliveira, Eliane M. de; Lima, Marco A. P. [Instituto de Física “Gleb Wataghin,” Universidade Estadual de Campinas, 13083-859 Campinas, São Paulo (Brazil); Bettega, Márcio H. F. [Departamento de Física, Universidade Federal do Paraná, CP 19044, 81531-990 Curitiba, Paraná (Brazil); Varella, Márcio T. do N. [Instituto de Física, Universidade de São Paulo, CP 66318, 05315-970 São Paulo, São Paulo (Brazil); Jones, Darryl B. [School of Chemical and Physical Sciences, Flinders University, GPO Box 2100, Adelaide SA 5001 (Australia); Brunger, Michael J. [School of Chemical and Physical Sciences, Flinders University, GPO Box 2100, Adelaide SA 5001 (Australia); Institute of Mathematical Sciences, University of Malaya, 50603 Kuala Lumpur (Malaysia); Blanco, Francisco [Departamento de Fisica Atomica, Molecular y Nuclear, Universidad Complutense de Madrid, Ciudad Universitaria, 2840 Madrid (Spain); Colmenares, Rafael [Hospital Ramón y Cajal, 28034 Madrid (Spain); and others
2015-03-14
We report theoretical and experimental total cross sections for electron scattering by phenol (C{sub 6}H{sub 5}OH). The experimental data were obtained with an apparatus based in Madrid and the calculated cross sections with two different methodologies, the independent atom method with screening corrected additivity rule (IAM-SCAR), and the Schwinger multichannel method with pseudopotentials (SMCPP). The SMCPP method in the N{sub open}-channel coupling scheme, at the static-exchange-plus-polarization approximation, is employed to calculate the scattering amplitudes at impact energies ranging from 5.0 eV to 50 eV. We discuss the multichannel coupling effects in the calculated cross sections, in particular how the number of excited states included in the open-channel space impacts upon the convergence of the elastic cross sections at higher collision energies. The IAM-SCAR approach was also used to obtain the elastic differential cross sections (DCSs) and for correcting the experimental total cross sections for the so-called forward angle scattering effect. We found a very good agreement between our SMCPP theoretical differential, integral, and momentum transfer cross sections and experimental data for benzene (a molecule differing from phenol by replacing a hydrogen atom in benzene with a hydroxyl group). Although some discrepancies were found for lower energies, the agreement between the SMCPP data and the DCSs obtained with the IAM-SCAR method improves, as expected, as the impact energy increases. We also have a good agreement among the present SMCPP calculated total cross section (which includes elastic, 32 inelastic electronic excitation processes and ionization contributions, the latter estimated with the binary-encounter-Bethe model), the IAM-SCAR total cross section, and the experimental data when the latter is corrected for the forward angle scattering effect [Fuss et al., Phys. Rev. A 88, 042702 (2013)].
Energy Technology Data Exchange (ETDEWEB)
Wu Yurong [College of Electromechanical Engineering, Hunan University of Science and Technology, Xiantang 411201 (China); Hu Wangyu [Department of Applied Physics, Hunan University, Changsha 410082 (China)], E-mail: wangyuhu2001cn@yahoo.com.cn; Han Shaochang [Department of Applied Physics, Hunan University, Changsha 410082 (China)
2008-10-01
First-principles calculations have been used to study the elastic and electronic properties of ductility rare-earth alloy YM (M=Ag, Cu, Rh) systems. The ductility mechanism for these alloys is studied from microscopic aspect, via electronic density of states (DOS). The Fermi energy lies near a local minimum, and the hybridization is stronger than that of the common NiAl alloy, demonstrating that the ductility of these alloys is much better than that of NiAl alloy. Elastic modulus, namely, shear modulus C'=(C{sub 11}-C{sub 12})/2, bulk modulus B and C{sub 44} are calculated by volume-conserving orthorhombic, hydrostatic pressure and tri-axial shear strain, respectively. Moreover, lattice parameters, antiphase boundary (APB) energies and unstable stacking fault energies of these alloys are also studied. The APB energies are greater than the unstable stacking fault energies for these alloy systems, and this is a characteristic of the ductility rare-earth alloy. The APB energies of YRh are the highest ones in these three YM alloys, which make dislocation dissociation difficult. The DOS and APB energy results show that the ductility of YRh may be worst in these three YM systems.
Energy Technology Data Exchange (ETDEWEB)
Shankar, A., E-mail: amitshan2009@gmail.com [Condensed Matter Theory Group, Department of Physics, Mizoram University, 796004 (India); Rai, D.P. [Department of Physics, Pachhunga University College, Aizawl 796001 (India); Chettri, Sandeep [Condensed Matter Theory Group, Department of Physics, Mizoram University, 796004 (India); Khenata, R. [Laboratoire de Physique Quantique et de Modélisation Mathématique (LPQ3M), Département de Technologie, Université de Mascara, 29000 (Algeria); Thapa, R.K. [Condensed Matter Theory Group, Department of Physics, Mizoram University, 796004 (India)
2016-08-15
We have investigated the electronic structure, elastic and thermoelectric properties of the filled skutterudite CeRu{sub 4}Sb{sub 12} using the density functional theory (DFT). The full potential linearized augmented plane wave (FP-LAPW) method within a framework of the generalized gradient approximation (GGA) approach is used to perform the calculations presented here. The electronic structure calculation suggests an indirect band gap semiconducting nature of the material with energy band gap of 0.08 eV. The analysis of the elastic constants at relaxed positions reveals the ductile nature of the sample material with covalent contribution in the inter-atomic bonding. The narrow band gap semiconducting nature with high value of Seebeck coefficient suggests the possibility of the thermoelectric application of the material. The analysis of the thermal transport properties confirms the result obtained from the energy band structure of the material with high thermopower and dimensionless figure of merit 0.19 at room temperature.
International Nuclear Information System (INIS)
Wu Yurong; Hu Wangyu; Han Shaochang
2008-01-01
First-principles calculations have been used to study the elastic and electronic properties of ductility rare-earth alloy YM (M=Ag, Cu, Rh) systems. The ductility mechanism for these alloys is studied from microscopic aspect, via electronic density of states (DOS). The Fermi energy lies near a local minimum, and the hybridization is stronger than that of the common NiAl alloy, demonstrating that the ductility of these alloys is much better than that of NiAl alloy. Elastic modulus, namely, shear modulus C'=(C 11 -C 12 )/2, bulk modulus B and C 44 are calculated by volume-conserving orthorhombic, hydrostatic pressure and tri-axial shear strain, respectively. Moreover, lattice parameters, antiphase boundary (APB) energies and unstable stacking fault energies of these alloys are also studied. The APB energies are greater than the unstable stacking fault energies for these alloy systems, and this is a characteristic of the ductility rare-earth alloy. The APB energies of YRh are the highest ones in these three YM alloys, which make dislocation dissociation difficult. The DOS and APB energy results show that the ductility of YRh may be worst in these three YM systems
International Nuclear Information System (INIS)
Huang Chang-Bao; Wu Hai-Xin; Ni You-Bao; Wang Zhen-You; Qi Ming; Zhang Chun-Li
2016-01-01
The structural, electronic, mechanical properties, and frequency-dependent refractive indexes of GaSe 1–x S x (x = 0, 0.25, and 1) are studied by using the first-principles pseudopotential method within density functional theory. The calculated results demonstrate the relationships between intralayer structure and elastic modulus in GaSe 1–x S x (x = 0, 0.25, and 1). Doping of ε -GaSe with S strengthens the Ga– X bonds and increases its elastic moduli of C 11 and C 66 . Born effective charge analysis provides an explanation for the modification of cleavage properties about the doping of ε -GaSe with S. The calculated results of band gaps suggest that the distance between intralayer atom and substitution of S Se , rather than interlayer force, is a key factor influencing the electronic exciton energy of the layer semiconductor. The calculated refractive indexes indicate that the doping of ε -GaSe with S reduces its refractive index and increases its birefringence. (paper)
Electronic and elastic properties of new semiconducting oP12-type RuB2 and OsB2
International Nuclear Information System (INIS)
Hao Xianfeng; Xu Yuanhui; Gao Faming
2011-01-01
Using first-principles total energy calculations we investigate the structural, elastic and electronic properties of new hypothetical oP 12 -type phase RuB 2 and OsB 2 . The calculations indicate that the oP 12 -type phase RuB 2 and OsB 2 are thermodynamically and mechanically stable. Remarkably, the new phases RuB 2 and OsB 2 are predicted to be semiconductors, and the appearance of band gaps is ascribed to the enhanced B-B covalent hybridization. Compared to metallic oP 6 -type RuB 2 and OsB 2 phases, the new phases possess similar mechanical properties and hardness. The combination of the probability of tunable electronic properties, strong stiffness and high hardness make RuB 2 and OsB 2 attractive and interesting for advanced applications.
Electronic and elastic properties of new semiconducting oP(12)-type RuB(2) and OsB(2).
Hao, Xianfeng; Xu, Yuanhui; Gao, Faming
2011-03-30
Using first-principles total energy calculations we investigate the structural, elastic and electronic properties of new hypothetical oP(12)-type phase RuB(2) and OsB(2). The calculations indicate that the oP(12)-type phase RuB(2) and OsB(2) are thermodynamically and mechanically stable. Remarkably, the new phases RuB(2) and OsB(2) are predicted to be semiconductors, and the appearance of band gaps is ascribed to the enhanced B-B covalent hybridization. Compared to metallic oP(6)-type RuB(2) and OsB(2) phases, the new phases possess similar mechanical properties and hardness. The combination of the probability of tunable electronic properties, strong stiffness and high hardness make RuB(2) and OsB(2) attractive and interesting for advanced applications. © 2011 IOP Publishing Ltd
Electronic and elastic properties of new semiconducting oP{sub 12}-type RuB{sub 2} and OsB{sub 2}
Energy Technology Data Exchange (ETDEWEB)
Hao Xianfeng; Xu Yuanhui; Gao Faming, E-mail: xfhao1980@yahoo.com.cn [Key Laboratory of Applied Chemistry, Yanshan University, Qinhuangdao 066004 (China)
2011-03-30
Using first-principles total energy calculations we investigate the structural, elastic and electronic properties of new hypothetical oP{sub 12}-type phase RuB{sub 2} and OsB{sub 2}. The calculations indicate that the oP{sub 12}-type phase RuB{sub 2} and OsB{sub 2} are thermodynamically and mechanically stable. Remarkably, the new phases RuB{sub 2} and OsB{sub 2} are predicted to be semiconductors, and the appearance of band gaps is ascribed to the enhanced B-B covalent hybridization. Compared to metallic oP{sub 6}-type RuB{sub 2} and OsB{sub 2} phases, the new phases possess similar mechanical properties and hardness. The combination of the probability of tunable electronic properties, strong stiffness and high hardness make RuB{sub 2} and OsB{sub 2} attractive and interesting for advanced applications.
Work function and surface stability of tungsten-based thermionic electron emission cathodes
Jacobs, Ryan; Morgan, Dane; Booske, John
2017-11-01
Materials that exhibit a low work function and therefore easily emit electrons into vacuum form the basis of electronic devices used in applications ranging from satellite communications to thermionic energy conversion. W-Ba-O is the canonical materials system that functions as the thermionic electron emitter commercially used in a range of high-power electron devices. However, the work functions, surface stability, and kinetic characteristics of a polycrystalline W emitter surface are still not well understood or characterized. In this study, we examined the work function and surface stability of the eight lowest index surfaces of the W-Ba-O system using density functional theory methods. We found that under the typical thermionic cathode operating conditions of high temperature and low oxygen partial pressure, the most stable surface adsorbates are Ba-O species with compositions in the range of Ba0.125O-Ba0.25O per surface W atom, with O passivating all dangling W bonds and Ba creating work function-lowering surface dipoles. Wulff construction analysis reveals that the presence of O and Ba significantly alters the surface energetics and changes the proportions of surface facets present under equilibrium conditions. Analysis of previously published data on W sintering kinetics suggests that fine W particles in the size range of 100-500 nm may be at or near equilibrium during cathode synthesis and thus may exhibit surface orientation fractions well described by the calculated Wulff construction.
Energy Technology Data Exchange (ETDEWEB)
Monir, M. El Amine.; Baltache, H. [Laboratoire de Physique Quantique de la Matière et de la Modélisation Mathématique (LPQ3M), Faculté des Sciences, Université de Mascara, Mascara 29000 (Algeria); Murtaza, G., E-mail: murtaza@icp.edu.pk [Materials Modeling Lab, Department of Physics, Islamia College University, Peshawar (Pakistan); Khenata, R., E-mail: khenata_rabah@yahoo.fr [Laboratoire de Physique Quantique de la Matière et de la Modélisation Mathématique (LPQ3M), Faculté des Sciences, Université de Mascara, Mascara 29000 (Algeria); Ahmed, Waleed K. [ERU, Faculty of Engineering, United Arab Emirates University, Al Ain (United Arab Emirates); Bouhemadou, A. [Laboratory for Developing New Materials and their Characterization, Department of Physics, Faculty of Science, University of Setif, 19000 Setif (Algeria); Omran, S. Bin [Department of Physics and Astronomy, College of Science, King Saud University, P.O. Box 2455, Riyadh 11451 (Saudi Arabia); Seddik, T. [Laboratoire de Physique Quantique de la Matière et de la Modélisation Mathématique (LPQ3M), Faculté des Sciences, Université de Mascara, Mascara 29000 (Algeria)
2015-01-15
Based on first principles spin-polarized density functional theory, the structural, elastic electronic and magnetic properties of Zn{sub 1−x}V{sub x}Se (for x=0.25, 0.50, 0.75) in zinc blende structure have been studied. The investigation was done using the full-potential augmented plane wave method as implemented in WIEN2k code. The exchange-correlation potential was treated with the generalized gradient approximation PBE-GGA for the structural and elastic properties. Moreover, the PBE-GGA+U approximation (where U is the Hubbard correlation terms) is employed to treat the “d” electrons properly. A comparative study between the band structures, electronic structures, total and partial densities of states and local moments calculated within both GGA and GGA+U schemes is presented. The analysis of spin-polarized band structure and density of states shows the half-metallic ferromagnetic character and are also used to determine s(p)-d exchange constants N{sub 0}α (conduction band ) and N{sub 0}β (valence band) due to Se(4p)–V(3d) hybridization. It has been clearly evidence that the magnetic moment of V is reduced from its free space change value of 3 µ{sub B} and the minor atomic magnetic moment on Zn and Se are generated. - Highlights: • Half metallicity origins by doping V in ZnSe. • PBE-GGA+U approximation is employed to treat the “d” electrons properly. • s(p)-d Exchange constants N{sub 0}α (conduction band ) and N{sub 0}β (valence band) are due to Se(4p)-V(3d) hybridization.
Couprie, Marie Emmanuelle; Nutarelli, D; Renault, E; Billardon, M
1999-01-01
Storage ring free electron lasers have a complex dynamics as compared to the LINAC driven FEL sources since both the laser and the recirculating electron beam behaviours are involved. Electron beam perturbations can strongly affect the FEL operation (start-up, stability) whereas the FEL can stabilize beam instabilities. Experimental analysis together with simulations are reported here. Improvements of the Super-ACO FEL for users is discussed, and consequences are given in terms of electron beam tolerances for a source development for users.
Thermochemical stability of zirconia-titanium nitride as mixed ionic-electronic composites
DEFF Research Database (Denmark)
Silva, P. S. M.; Esposito, V.; Marani, D.
2018-01-01
Dense zirconia (8% molar yttria-stabilized ZrO2)-titanium nitride (TiN) composites are fabricated to obtain mixed ionic-electronic conducting ceramic systems with high degree of electronic and thermal conductivity. The composites are consolidated by spark plasma sintering (SPS), starting from pure...... the composites, high electrical conductivity is attained. Samples exhibit metallic behavior, showing an unexpected percolation of TiN in the YSZ matrix for volume fraction ≤ 25 wt% (27 vol%). Chemical degradation and electrical properties of the compounds were monitored under oxidative (air) and inert (Ar...... transport properties of the composite can be tuned by both the relative volume fraction of phases and controlled oxidative treatments. Adjusting such parameters different electric behaviors were observed ranging from predominant electronic conductors, to temperature-independent resistivity...
Magnetite Fe3O4 (111) Surfaces: Impact of Defects on Structure, Stability, and Electronic Properties
Noh, Jung Hyun
2015-08-04
We present a comprehensive investigation, via first-principles density functional theory (DFT) calculations, of various surface terminations of magnetite, Fe3O4 (111), a major iron oxide which has also a number of applications in electronics and spintronics. We compare the thermodynamic stability and electronic structure among the different surfaces terminations. Interestingly, we find that surfaces modified with point defects and adatoms can be more stable than bulk-like terminations. These surfaces show different surface chemistry, electronic structures and distinctive spin polarization features near the Fermi level from those previously considered in the literature. Our studies provide an atomic level insight for magnetite surfaces, which is a necessary step to understanding their interfaces with organic layers in OLED and spintronic devices.
The improved stability of an organic crystal in the Hitachi HV-1 high vacuum electron microscope
International Nuclear Information System (INIS)
Hartman, R.S.; Hartman, R.E.; Alsberg, H.; Nathan, R.
1974-01-01
A specimen of crystalline indanthrene olive T was placed in the HV-1, which was then pumped for 2 hours. The 25 A bright field fringe pattern was then observed on the TV monitor. Deterioration was noted very shortly, and the electron microscope was then pumped for three days, after which another field was subjected to the same level of irradiation by 50 KV electrons. It was found that there was little if any deterioration even after 20 minutes. It was concluded that it is possible to find conditions in a transmission EM where stability far exceeds that predicted by current theories of radiation damage or demonstrated by conventional electron microscopes. (R.L.)
International Nuclear Information System (INIS)
Barabash, A.S.
1989-01-01
Capabilities of modern radiation detectors for investigation into electron stability and possible violation of Pauli principle in atoms are discussed. For experimental searches of electron instability the following low-background devices are used: scintillation NaI-detectors, semiconducting detectors of enriched germanium, emission chamber, multisection proportional counter and low-temperature detectors. It is ascertained that using modern low-background devices applying the earlier enumerated detectors, it is possible to achieve sensitivity of the order of 10 24 -10 25 years for the electron lifetime relatively to its decay and Pauli principle violation in atoms. Experiments with sensitivity of ∼ 10 26 -10 27 can be realized in massive low-temperature detectors, developed for neutrino physics. 28 refs; 1 fig
Magnetite Fe3O4 (111) Surfaces: Impact of Defects on Structure, Stability, and Electronic Properties
Noh, Jung Hyun; Osman, Osman I; Aziz, Saadullah G.; Winget, Paul; Bredas, Jean-Luc
2015-01-01
We present a comprehensive investigation, via first-principles density functional theory (DFT) calculations, of various surface terminations of magnetite, Fe3O4 (111), a major iron oxide which has also a number of applications in electronics and spintronics. We compare the thermodynamic stability and electronic structure among the different surfaces terminations. Interestingly, we find that surfaces modified with point defects and adatoms can be more stable than bulk-like terminations. These surfaces show different surface chemistry, electronic structures and distinctive spin polarization features near the Fermi level from those previously considered in the literature. Our studies provide an atomic level insight for magnetite surfaces, which is a necessary step to understanding their interfaces with organic layers in OLED and spintronic devices.
Stabilization of neoclassical tearing modes by electron cyclotron current drive in JT-60U
International Nuclear Information System (INIS)
Isayama, A.; Oyama, N.; Urano, H.; Suzuki, T.; Takechi, M.; Hayashi, N.; Nagasaki, K.; Kamada, Y.; Ide, S.; Ozeki, T.
2007-01-01
Results of active control of neoclassical tearing modes (NTMs) by electron cyclotron current drive (ECCD) in JT-60U are described. Growth of an NTM with poloidal mode number m = 3 and toroidal mode number n = 2 has been suppressed by ECCD inside the sawtooth inversion radius in the co-direction, showing the possibility of the coexistence of sawtooth oscillations and a small-amplitude m/n = 3/2 NTM without large confinement degradation. Stabilization of an m/n = 2/1 NTM by ECCD at the mode rational surface has been demonstrated with a small ratio of the current density driven by the electron cyclotron (EC) wave to the local bootstrap current density (∼ 0.5). In addition, dependence of the stabilization effect on ECCD location has been investigated in detail. It has been found that an m/n = 2/1 NTM can be completely stabilized with the misalignment of the ECCD location less than about half of the full island width, and that the m/n = 2/1 NTM is destabilized with the misalignment comparable to the full island width. Time-dependent, self-consistent simulation of magnetic island evolution using the TOPICS code has shown that the stabilization and destabilization of an m/n = 2/1 NTM are well reproduced with the same set of coefficients of the modified Rutherford equation. The TOPICS simulation has also clarified that EC wave power required for complete stabilization can be significantly reduced by narrowing the ECCD deposition width
He, Li-Zhi; Zhu, Jun; Zhang, Lin
2018-02-01
Phase transition of TiCr2 in C15 (MgCu2), C36 (MgNi2), C14 (MgZn2) structures have been studied by using the projector augmented wave method. It is found that C15-type is the most stable structure, which agrees with the results of Chen et al. At 0 K, the phase boundary of C15 to C36 is 207.79 GPa, and the phase transition from C36 to C14 is 265.61 GPa. Both the transition pressures decrease with increasing temperature. Phonon dispersion and elastic constants are calculated and found that C15-type TiCr2 is mechanically stable according to the elastic stability criteria and phonon dispersion analysis. Moreover, the pressure and temperature dependence of the specific heat, Debye temperature and thermal expansion coefficient are discussed, among them our calculated Debye temperature is consistent with the report of A. sari et al., however, it is far from the results of B. Mayer et al. and Chen et al.
Energy Technology Data Exchange (ETDEWEB)
Li, Li [Sichuan Univ., Chengdu (China). Inst. of Atomic and Molecular Physics; Civil Aviation Flight Univ. of China, Guanghan (China). Dept. of Physics; Zeng, Zhao-Yi [Chongqing Normal Univ., Chongqing (China). College of Physics and Electronic Engineering; Liang, Ting; Tang, Mei; Cheng, Yan [Sichuan Univ., Chengdu (China). Inst. of Atomic and Molecular Physics
2017-07-01
The influence of pressure on the elastic and mechanical properties of the hexagonal transition-metal dichalcogenide WS{sub 2} is investigated using the first-principles calculations. With the increase in pressure, the lattice parameters and the volume of WS{sub 2} decrease, which is exactly in agreement with the available experimental data and other calculated results. The elastic constants C{sub ij}, bulk modulus B, shear modulus G, Young's modulus E, and Poisson's ratio σ of WS{sub 2} also increase with pressure. At last, for the first time, the band gaps of energy, the partial density of states, and the total density of states under three different pressures are obtained and analysed. It is found that the band gap of WS{sub 2} decreases from 0.843 to 0 eV when the external pressure varies from 0 to 20 GPa, which implies that WS{sub 2} may transform from semiconductors to semimetal phase at a pressure about 20 GPa.
Elastic plastic fracture mechanics
International Nuclear Information System (INIS)
Simpson, L.A.
1978-07-01
The application of linear elastic fracture mechanics (LEFM) to crack stability in brittle structures is now well understood and widely applied. However, in many structural materials, crack propagation is accompanied by considerable crack-tip plasticity which invalidates the use of LEFM. Thus, present day research in fracture mechanics is aimed at developing parameters for predicting crack propagation under elastic-plastic conditions. These include critical crack-opening-displacement methods, the J integral and R-curve techniques. This report provides an introduction to these concepts and gives some examples of their applications. (author)
López, Luis I. A.; Mendoza, Michel; Ujevic, Sebastian
2013-09-01
We have systematically studied the conductance σ( E,B) and the electronic current line shapes J( V ex ) through complex mesoscopic molecules in an elastic resonant tunneling regime. The studied systems are based on GaAs/AlGaAs hetero-structures, with several discrete states in each coupled mesoscopic molecule. The molecules were formed using different wells and barrier widths. These systems allow effective couplings and uncouplings that lead to elastic processes as a function of the electronic potential V ex and magnetic field B. In this situation, the J( V ex ) and σ( E, B) curves exhibit a sequence of peaks of difficult interpretation, in which crossings and anti-crossings (a splitting if it is generated in the resonance condition) of states contribute in a way that they cannot be easily identified. Performing a systematic analysis of the evolution of these states (before the resonance condition), we were able to determine the origin of these current peaks. We have found that the coupling of states (anti-crossing) around the resonance region can be identified as a broad mirrored- D line shape in the J( V ex ) curves. The mirrored- D line shape peaks can be clearly differentiated from the neighboring peaks because the last ones follow a very defined increasing sequence in their intensities and widths. Also, this behavior (fingerprint) can be used to identify possible splitting of states in the J( V ex ). The splittings that are generated between states with different quantum numbers (quantum numbers associated to the individual well) follow an unexpected opposite behavior when compared with those generated between states with the same quantum numbers (quasi-miniband). All these results are also observed in the conductance σ( E, B) associated with complex mesoscopic molecules based on a two-dimensional electron gas.
International Nuclear Information System (INIS)
Sharma, Sheetal; Verma, A.S.; Jindal, V.K.
2014-01-01
Graphical abstract: - Highlights: • FP-LAPW method has been used to compute the solid state properties of AgGaX 2 (X = S, Se, Te). • Electronic and optical properties reported with recently developed mBJ potential. • Thermal expansion, heat capacity, Debye temperature, entropy and Grüneisen parameter were evaluated. • Hardness was calculated for the first time at different temperature and pressure. - Abstract: We have performed ab initio calculations for the structural, electronic, optical, elastic and thermal properties of the silver gallium dichalcogenides (AgGaX 2 : X = S, Se, Te). In this study, we have used the accurate full potential linearized augmented plane wave (FP-LAPW) method to find the equilibrium structural parameters and to compute the six elastic constants (C 11 , C 12 , C 13 , C 33 , C 44 and C 66 ). We have reported electronic and optical properties with the recently developed density functional theory of Tran and Blaha, and this theory is used along with the Wu-Cohen generalized gradient approximation (WC-GGA) for the exchange-correlation potential. Furthermore, optical features such as dielectric functions, refractive indices, extinction coefficient, optical reflectivity, absorption coefficients and optical conductivities were calculated for photon energies up to 40 eV. The thermodynamical properties such as thermal expansion, heat capacity, debye temperature, entropy, Grüneisen parameter and bulk modulus were calculated employing the quasi-harmonic Debye model at different temperatures (0–900 K) and pressures (0–8 GPa) and the silent results were interpreted. Hardness of the materials was calculated for the first time at different temperatures and pressures
International Nuclear Information System (INIS)
Brotton, S.J.; McKenna, P.; Gribakin, G.; Williams, I.D.
2002-01-01
The measured angular differential cross section (DCS) for the elastic scattering of electrons from Ar + (3s 2 3p 5 2 P) at the collision energy of 16 eV is presented. By solving the Hartree-Fock equations, we calculate the corresponding theoretical DCS including the coupling between the orbital angular momenta and spin of the incident electron and those of the target ion and also relaxation effects. Since the collision energy is above one inelastic threshold for the transition 3s 2 3p 5 2 P-3s3p 6 2 S, we consider the effects on the DCS of inelastic absorption processes and elastic resonances. The measurements deviate significantly from the Rutherford cross section over the full angular range observed, especially in the region of a deep minimum centered at approximately 75 deg. Our theory and an uncoupled, unrelaxed method using a local, spherically symmetric potential by Manson [Phys. Rev. 182, 97 (1969)] both reproduce the overall shape of the measured DCS, although the coupled Hartree-Fock approach describes the depth of the minimum more accurately. The minimum is shallower in the present theory owing to our lower average value for the d-wave non-Coulomb phase shift σ 2 , which is due to the high sensitivity of σ 2 to the different scattering potentials used in the two models. The present measurements and calculations therefore show the importance of including coupling and relaxation effects when accurately modeling electron-ion collisions. The phase shifts obtained by fitting to the measurements are compared with the values of Manson and the present method
Electronic structure effects on stability and quantum conductance in 2D gold nanowires
International Nuclear Information System (INIS)
Kashid, Vikas; Shah, Vaishali; Salunke, H. G.
2011-01-01
In this study, we have investigated the stability and conductivity of unsupported, two-dimensional infinite gold nanowires using ab initio density functional theory (DFT). Two-dimensional ribbon-like nanowires with 1–5 rows of gold atoms in the non-periodic direction and with different possible structures have been considered. The nanowires with >2 rows of atoms exhibit dimerization, similar to finite wires, along the non-periodic direction. Our results show that in these zero thickness nanowires, the parallelogram motif is the most stable. A comparison between parallelogram- and rectangular-shaped nanowires of increasing width indicates that zero thickness (111) oriented wires have a higher stability over (100). A detailed analysis of the electronic structure, reveals that the (111) oriented structures show increased delocalization of s and p electrons in addition to a stronger delocalization of the d electrons and hence are the most stable. The density of states show that the nanowires are metallic and conducting except for the double zigzag structure, which is semiconducting. Conductance calculations show transmission for a wide range of energies in all the stable nanowires with more than two rows of atoms. The conductance channels are not purely s and have strong contributions from the d levels, and weak contributions from the p levels.
Energy Technology Data Exchange (ETDEWEB)
Miloud Abid, O.; Yakoubi, A. [Laboratoire d’Etudes des Matériaux et Instrumentations Expérimentales, Université Djilali Liabes de Sidi Bel-Abbes, 22000 (Algeria); Tadjer, A. [Modeling and Simulation in Materials Science Laboratory, Physics Department, University of Sidi Bel-Abbes, Sidi Bel-Abbes (Algeria); Khenata, R., E-mail: khenata_rabah@yahoo.fr [Laboratoire de Physique Quantique de la Modélisation Mathématique (LPQ3M), Université de Mascara, 29000 (Algeria); Ahmed, R. [Department of Physics, Faculty of Science, Universiti Teknologi Malaysia, UTM Skudai, 81310 Johor (Malaysia); Murtaza, G. [Materials Modeling Laboratory, Department of Physics, Islamia College University, Peshawar (Pakistan); Bin Omran, S. [Department of Physics and Astronomy, College of Science, King Saud University, P.O. Box 2455, Riyadh 11451 (Saudi Arabia); Azam, Sikander [New Technologies – Research Center, University of West Bohemia, Univerzitni 8, 306 14 Pilsen (Czech Republic)
2014-12-15
Highlights: • The calculated structural parameters of RMn{sub 2}Ge{sub 2} (R = Ca, Nd and Y) compounds are found in good agreement with the experimental data. • The structural and band structure calculation reveals that these compounds are ferromagnetic brittle metals. • The elastic and thermodynamic properties for the herein studied compounds are investigated for the first time. - Abstract: Intermetallic RMn{sub 2}Ge{sub 2} ternary compounds have attracted considerable attention from researchers in recent years because they show strong indications for novel magnetic characteristics and they have the potential to reveal the mechanism of superlattices. The study of the paramagnetic, ferromagnetic and antiferromagnetic phases affirms the strong dependence to the distance between atomic species in these compounds. In this study, we investigated the structural, elastic, electronic and thermodynamic properties of the intermetallic RMn{sub 2}Ge{sub 2} (R = Ca, Nd and Y) compounds. To carry out this study, we used the full potential (FP) linearized (L) augmented plane wave plus local orbitals (APW + lo), a scheme of calculations developed within the frame work of density functional theory (DFT). To incorporate the exchange correlation (XC) energy and corresponding potential into the total energy calculations, local density approximation (LDA) parameterized by Perdew and Wang is taken into account. Analysis of the density of states (DOS) profile illustrates the conducting nature of these intermetallic compounds; with a predominantly contribution from the R and Mn-d states. At ambient conditions, calculations for elastic constants (C{sub 11}, C{sub 12}, C{sub 13}, C{sub 44}, C{sub 33} and C{sub 66}) are also performed, which point to their brittle character. In addition, the quasi harmonic Debye model was used to predict the thermal properties, together with relative expansion coefficients and heat capacity.
Actuation stability test of the LISA pathfinder inertial sensor front-end electronics
Mance, Davor; Gan, Li; Weber, Bill; Weber, Franz; Zweifel, Peter
In order to limit the residual stray forces on the inertial sensor test mass in LISA pathfinder, √ it is required that the fluctuation of the test mass actuation voltage is within 2ppm/ Hz. The actuation voltage stability test on the flight hardware of the inertial sensor front-end electronics (IS FEE) is presented in this paper. This test is completed during the inertial sensor integration at EADS Astrium Friedrichshafen, Germany. The standard measurement method using voltmeter is not sufficient for verification, since the instrument low frequency √ fluctuation is higher than the 2ppm/ Hz requirement. In this test, by using the differential measurement method and the lock-in amplifier, the actuation stability performance is verified and the quality of the IS FEE hardware is confirmed by the test results.
Color center annealing and ageing in electron and ion-irradiated yttria-stabilized zirconia
International Nuclear Information System (INIS)
Costantini, Jean-Marc; Beuneu, Francois
2005-01-01
We have used X-band electron paramagnetic resonance (EPR) measurements at room-temperature (RT) to study the thermal annealing and RT ageing of color centers induced in yttria-stabilized zirconia (YSZ), i.e. ZrO 2 :Y with 9.5 mol% Y 2 O 3 , by swift electron and ion-irradiations. YSZ single crystals with the orientation were irradiated with 2.5 MeV electrons, and implanted with 100 MeV 13 C ions. Electron and ion beams produce the same two color centers, namely an F + -type center (singly ionized oxygen vacancy) and the so-called T-center (Zr 3+ in a trigonal oxygen local environment) which is also produced by X-ray irradiations. Isochronal annealing was performed in air up to 973 K. For both electron and ion irradiations, the defect densities are plotted versus temperature or time at various fluences. The influence of a thermal treatment at 1373 K of the YSZ single crystals under vacuum prior to the irradiations was also investigated. In these reduced samples, color centers are found to be more stable than in as-received samples. Two kinds of recovery processes are observed depending on fluence and heat treatment
Electron beam position stabilization with a piezo-electric optical correction system
Averett, T; McKeown, R D; Pitt, M
1999-01-01
A piezo-electrically controlled optical correction system was successfully used to reduce the helicity-correlated pulse-to-pulse position differences of a laser spot to better than +-100 nm at a pulse rate of 600 Hz. Using a simple feedback algorithm, average position differences of DELTA x-bar=-3.5+-4.2 nm and DELTA y-bar=2.6+-6.6 nm were obtained over a 6 h period. This optical correction system was successfully used in the polarized electron source at the Bates Linear Accelerator Center to stabilize the position of the electron beam during the recent SAMPLE experiment. Because this experiment measures a parity violating signal at the 10 sup - sup 6 level, it is sensitive to systematic effects which are correlated with the helicity of the incident electrons. One potentially large systematic effect is the helicity-correlated motion of the incident electron beam. By using this optical correction system, electron beam position differences at the location of the experiment were routinely kept well below +-100 n...
Energy Technology Data Exchange (ETDEWEB)
Waidyawansa, Dinayadura Buddhini [Ohio Univ., Athens, OH (United States)
2013-08-01
The beam normal single spin asymmetry generated in the scattering of transversely polarized electrons from unpolarized nucleons is an observable of the imaginary part of the two-photon exchange process. Moreover, it is a potential source of false asymmetry in parity violating electron scattering experiments. The Q{sub weak} experiment uses parity violating electron scattering to make a direct measurement of the weak charge of the proton. The targeted 4% measurement of the weak charge of the proton probes for parity violating new physics beyond the Standard Model. The beam normal single spin asymmetry at Q{sub weak} kinematics is at least three orders of magnitude larger than 5 ppb precision of the parity violating asymmetry. To better understand this parity conserving background, the Q{sub weak} Collaboration has performed elastic scattering measurements with fully transversely polarized electron beam on the proton and aluminum. This dissertation presents the analysis of the 3% measurement (1.3% statistical and 2.6% systematic) of beam normal single spin asymmetry in electronproton scattering at a Q2 of 0.025 (GeV/c)2. It is the most precise existing measurement of beam normal single spin asymmetry available at the time. A measurement of this precision helps to improve the theoretical models on beam normal single spin asymmetry and thereby our understanding of the doubly virtual Compton scattering process.
Lattice dynamics and elastic properties of the 4f electron system: CeN
DEFF Research Database (Denmark)
Kanchana, V.; Vaitheeswaran, G.; Zhang, Xinxin
2011-01-01
, and the Grüneisen parameter behaves smoothly. The electronic structure is also calculated using the quasiparticle self-consistent GW approximation (where G denotes the Green's function and W denotes the screened interaction). The Fermi surface of CeN is dominated by large egg-shaped electron sheets centered...
International Nuclear Information System (INIS)
Amusia, M.Ya.; Kuchiev, M.Yu.
1979-01-01
The jump in the electron - atomic-hydrogen forward scattering amplitude at the cut extending to the left from E = -0.5 au is calculated as a function of the incident electron energy, E, by using the second Born approximation. The contribution from this singularity to the dispersion relation is determined. (Auth.)
Directory of Open Access Journals (Sweden)
Jeanette Noel Du Plooy
Full Text Available Thrombo-embolic ischemic stroke is a serious and debilitating disease, and it remains the second most common cause of death worldwide. Tobacco smoke exposure continues to be responsible for preventable deaths around the world, and is a major risk factor for stroke. Platelets play a fundamental role in clotting, and their pathophysiological functioning is present in smokers and stroke patients, resulting in a pro-thrombotic state. In the current manuscript, atomic force and scanning electron microscopy were used to compare the platelets of smokers, stroke patients and healthy individuals. Results showed that the elastic modulus of stroke platelets is decreased by up to 40%, whereas there is an elasticity decrease of up to 20% in smokers' platelets. This indicates a biophysical alteration of the platelets. Ultrastructurally, both the stroke patients and smokers' platelets are more activated than the healthy control group, with prominent cytoskeletal rearrangement involved; but to a more severe extent in the stroke group than in the smokers. Importantly, this is a confirmation of the extent of smoking as risk factor for stroke. We conclude by suggesting that the combined AFM and SEM analyses of platelets might give valuable information about the disease status of patients. Efficacy of treatment regimes on the integrity, cell shape, roughness and health status of platelets may be tracked, as this cell's health status is crucial in the over-activated coagulation system of conditions like stroke.
Electron localization in fragmentation of H2 with CEP stabilized laser pulses
International Nuclear Information System (INIS)
Kremer, Manuel; Fischer, Bettina; Schroeter, Claus Dieter; Feuerstein, Bernold; Moshammer, Robert; Ullrich, Joachim; Rudenko, Artem; Jesus, Vitor L B de
2009-01-01
Fully differential data on ionization and dissociation of H 2 in ultra-short (∼ 6 fs), linearly polarized, intense (∼ 4 . 10 14 W/cm 2 ) laser pulses with stabilized carrier-envelope-phase (CEP) have been measured using a reaction microscope. Depending on the CEP of the laser pulses we see a clear asymmetry in the emission direction of the created protons. Contrary to earlier measurements by Kling et al. we observe the highest asymmetry for kinetic energy releases (proton energy) between 0-2 eV. This excludes the electron re-collision mechanism suggested in [1] as dominant excitation channel and requires another explanation.
Stabilization of a cold cathode electron beam glow discharge for surface treatment
International Nuclear Information System (INIS)
Mingolo, N.; Gonzalez, C.R.; Martinez, O.E.; Rocca, J.J.
1997-01-01
We have demonstrated that the reproducibility of electron beam pulses generated by a high power, cold cathode glow discharge is greatly improved by adding a small continuous keep-alive discharge current. A current of the order of 200 μA was found to limit the shot to shot current variation to within 1.5%. This stabilization in turn reduces by an order of magnitude the fluctuations of the energy density deposited on the target, demonstrating a reliable energy source for surface treatment. copyright 1997 American Institute of Physics
Stabilization of a cold cathode electron beam glow discharge for surface treatment
Energy Technology Data Exchange (ETDEWEB)
Mingolo, N.; Gonzalez, C.R. [Lab. de Haces Dirigidos, Depto. de Fisica, Facultad de Ingenieria, Universidad de Buenos Aires, Paseo Colon 850, 1063 Buenos Aires (Argentina); Martinez, O.E. [Lab. de Electronica Cuantica, Depto. de Fisica, Universidad de Buenos Aires, Pabellon 1, Ciudad Universitaria, 1428 Buenos Aires (Argentina); Rocca, J.J. [Department of Electrical Engineering, Colorado State University, Fort Collins, Colorado 80523 (United States)
1997-10-01
We have demonstrated that the reproducibility of electron beam pulses generated by a high power, cold cathode glow discharge is greatly improved by adding a small continuous keep-alive discharge current. A current of the order of 200 {mu}A was found to limit the shot to shot current variation to within 1.5{percent}. This stabilization in turn reduces by an order of magnitude the fluctuations of the energy density deposited on the target, demonstrating a reliable energy source for surface treatment. {copyright} {ital 1997 American Institute of Physics.}
Valence electron structure and properties of stabilized ZrO2
Institute of Scientific and Technical Information of China (English)
2008-01-01
To reveal the properties of stabilizers in ZrO2 on nanoscopic levels, the valence electron structures of four stable ZrO2 phases and c-ZrO2 were analyzed on the basis of the empirical electron theory of solids and molecules. The results showed that the hybridization levels of Zr atoms in c-ZrO2 doped with Ca and Mg dropped from B17 to B13, the hybridization levels of Zr atoms in c-ZrO2 doped with Y and Ce dropped from B17 to B15, and that the four stabilizing atoms all made the hybridization levels of O atoms drop from level 4 to level 2. The numbers of covalent electrons in the strongest covalent bond in the descending order are c-ZrO2>Zr0.82Ce0.18O2> Zr0.82Y0.18O1.91>Zr0.82Mg0.18O1.82>Zr0.82Ca0.18O1.82. The bond energies of the strongest covalent bond and the melting points of the solid solutions in the descending order are Zr0.82Ce0.18O2> c-ZrO2>Zr0.82Y0.18O1.91>Zr0.82Mg0.18O1.82>Zr0.82Ca0.18O1.82. The percent-ages of the total number of covalent electrons in the descending order are c-ZrO2>Zr0.82Y0.18O1.91> Zr0.82Ce0.18O2>Zr0.82Mg0.18O1.82> Zr0.82Ca0.18O1.82. From the above analysis, it can be concluded that the stabilizing degrees of the four stabilizers in the descending order are CaO> MgO>Y2O3>CeO2.
Local Dynamic Stability Assessment of Motion Impaired Elderly Using Electronic Textile Pants.
Liu, Jian; Lockhart, Thurmon E; Jones, Mark; Martin, Tom
2008-10-01
A clear association has been demonstrated between gait stability and falls in the elderly. Integration of wearable computing and human dynamic stability measures into home automation systems may help differentiate fall-prone individuals in a residential environment. The objective of the current study was to evaluate the capability of a pair of electronic textile (e-textile) pants system to assess local dynamic stability and to differentiate motion-impaired elderly from their healthy counterparts. A pair of e-textile pants comprised of numerous e-TAGs at locations corresponding to lower extremity joints was developed to collect acceleration, angular velocity and piezoelectric data. Four motion-impaired elderly together with nine healthy individuals (both young and old) participated in treadmill walking with a motion capture system simultaneously collecting kinematic data. Local dynamic stability, characterized by maximum Lyapunov exponent, was computed based on vertical acceleration and angular velocity at lower extremity joints for the measurements from both e-textile and motion capture systems. Results indicated that the motion-impaired elderly had significantly higher maximum Lyapunov exponents (computed from vertical acceleration data) than healthy individuals at the right ankle and hip joints. In addition, maximum Lyapunov exponents assessed by the motion capture system were found to be significantly higher than those assessed by the e-textile system. Despite the difference between these measurement techniques, attaching accelerometers at the ankle and hip joints was shown to be an effective sensor configuration. It was concluded that the e-textile pants system, via dynamic stability assessment, has the potential to identify motion-impaired elderly.
Stability, electrochemical behaviors and electronic structures of iron hydroxyl-phosphate
International Nuclear Information System (INIS)
Wang Zhongli; Sun Shaorui; Li Fan; Chen Ge; Xia Dingguo; Zhao Ting; Chu Wangsheng; Wu Ziyu
2010-01-01
Iron hydroxyl-phosphate with a uniform spherical particle size of around 1 μm, a compound of the type Fe 2-y □ y (PO 4 )(OH) 3-3y (H 2 O) 3y-2 (where □ represents a vacancy), has been synthesized by hydrothermal methods. The particles are composed of spheres of diameter -1 and 120 mAh g -1 at current densities of 170 mA g -1 and 680 mA g -1 , respectively. The stability of crystal structure of this material was studied by TGA and XRD which show that the material remains stable at least up to the temperature 200 deg. C. Investigation of the electronic structure of the iron hydroxyl-phosphate by GGA + U calculation has indicated that it has a better electronic conductivity than LiFePO 4 .
International Nuclear Information System (INIS)
Kohno, M.
1983-01-01
We report fully consistent calculations of the longitudinal and transverse response functions of the inclusive quasi-elastic electron scattering on 12 C in the Hartree-Fock approximation. The distorted wave for the outgoing nucleon is constructed from the same non-local Hartree-Fock field as in the ground-state description. Thus the orthogonality and Pauli principle requirements are naturally satisfied. The theoretical prediction, based on the standard density-dependent effective interaction (GO force), shows a good correspondence to the experimental data. Since the calculated response functions automatically satisfy the relevant sum rule, this work illuminates the well-known puzzle concerning the longitudinal part, which remains to be solved. We study the energy-weighted sum rules and discuss effects beyond the mean-field approximation. Meson-exchange-current contributions to the transverse response function are also estimated and found to be small due to cancellations among them. (orig.)
Dabhi, Shweta D.; Jha, Prafulla K.
2017-09-01
The structural, electronic and vibrational properties of graphene oxide (GO) with varying proportion of epoxy and hydroxyl functional groups have been studied using density functional theory. The functional groups and oxygen density have an obvious influence on the electronic and vibrational properties. The dependence of band gap on associated functional groups and oxygen density shows a possibility of tuning the band gap of graphene by varying the functional groups as well as oxidation level. The absorption of high oxygen content in graphene leads to the gap opening and resulting in a transition from semimetal to semiconductor. Phonon dispersion curves show no imaginary frequency or no softening of any phonon mode throughout the Brillouin zone which confirms the dynamical stability of all considered GO models. Different groups and different oxygen density result into the varying characteristics of phonon modes. The computed results show good agreement with the experimental observations. Our results present interesting possibilities for engineering the electronic properties of graphene and GO and impact the fabrication of new electronics.
Stability of very-high pressure arc discharges against perturbations of the electron temperature
Energy Technology Data Exchange (ETDEWEB)
Benilov, M. S. [Departamento de Fisica, Ciencias Exactas e Engenharia, Universidade da Madeira, Largo do Municipio, Funchal 9000 (Portugal); Hechtfischer, U. [Philips Lighting, BU Automotive Lamps, Technology, Philipsstrasse 8, Aachen 52068 (Germany)
2012-04-01
We study the stability of the energy balance of the electron gas in very high-pressure plasmas against longitudinal perturbations, using a local dispersion analysis. After deriving a dispersion equation, we apply the model to a very high-pressure (100 bar) xenon plasma and find instability for electron temperatures, T{sub e}, in a window between 2400 K and 5500-7000 K x 10{sup 3} K, depending on the current density (10{sup 6}-10{sup 8} A/m{sup 2}). The instability can be traced back to the Joule heating of the electron gas being a growing function of T{sub e}, which is due to a rising dependence of the electron-atom collision frequency on T{sub e}. We then analyze the T{sub e} range occurring in very high-pressure xenon lamps and conclude that only the near-anode region exhibits T{sub e} sufficiently low for this instability to occur. Indeed, previous experiments have revealed that such lamps develop, under certain conditions, voltage oscillations accompanied by electromagnetic interference, and this instability has been pinned down to the plasma-anode interaction. A relation between the mechanisms of the considered instability and multiple anodic attachments of high-pressure arcs is discussed.
Balakina, E. V.; Zotov, N. M.; Fedin, A. P.
2018-02-01
Modeling of the motion of the elastic wheel of the vehicle in real-time is used in the tasks of constructing different models in the creation of wheeled vehicles motion control electronic systems, in the creation of automobile stand-simulators etc. The accuracy and the reliability of simulation of the parameters of the wheel motion in real-time when rolling with a slip within the given road conditions are determined not only by the choice of the model, but also by the inaccuracy and instability of the numerical calculation. It is established that the inaccuracy and instability of the calculation depend on the size of the step of integration and the numerical method being used. The analysis of these inaccuracy and instability when wheel rolling with a slip was made and recommendations for reducing them were developed. It is established that the total allowable range of steps of integration is 0.001.0.005 s; the strongest instability is manifested in the calculation of the angular and linear accelerations of the wheel; the weakest instability is manifested in the calculation of the translational velocity of the wheel and moving of the center of the wheel; the instability is less at large values of slip angle and on more slippery surfaces. A new method of the average acceleration is suggested, which allows to significantly reduce (up to 100%) the manifesting of instability of the solution in the calculation of all parameters of motion of the elastic wheel for different braking conditions and for the entire range of steps of integration. The results of research can be applied to the selection of control algorithms in vehicles motion control electronic systems and in the testing stand-simulators
Theoretical studies of the pressure-induced phase transition and elastic properties of BeS
Energy Technology Data Exchange (ETDEWEB)
Ji, Xu [College of Polymer Science and Engineering, Sichuan University, Chengdu 610065 (China); College of Chemical Engineering, Sichuan University, Chengdu 610065 (China); Yu, Yang, E-mail: yuyang@scu.edu.cn [Department of Logistics Management, Sichuan University, Chengdu 610065 (China); Ji, Junyi [College of Chemical Engineering, Sichuan University, Chengdu 610065 (China); Long, Jianping [College of Materials and Chemistry and Chemical Engineering, Chengdu University of Technology, Chengdu 610059 (China); Chen, Jianjun; Liu, Daijun [College of Chemical Engineering, Sichuan University, Chengdu 610065 (China)
2015-02-25
Highlights: • Transition pressure from B3 to B8 of BeS is 58.86 GPa. • Elastic properties of BeS under pressure are predicted for the first time. • Elastic moduli of BeS increase monotonically with increasing pressure. • Elastic anisotropy of BeS has been investigated. - Abstract: First-principles calculations were performed to investigate the structural, electronic and elastic properties of BeS in both B3 and B8 structures. The structural phase transition from B3 to B8 occurs at 58.86 GPa with a volume decrease of 10.74%. The results of the electronic band structure show that the energy gap is indirect for B3 and B8 phases. The pressure dependence of the direct and indirect band gaps for BeS has been investigated. Especially, the elastic constants of B8 BeS under high pressure have been studied for the first time. The mechanical stability of the two phases has been discussed based on the pressure dependence of the elastic constants. In addition, the pressure dependence of bulk modulus, shear modulus, Young’s modulus, elastic wave velocities and brittle–ductile behavior of BeS are all successfully obtained. Finally, the elastic anisotropy has been investigated by using two different methods.
International Nuclear Information System (INIS)
Jenkins, Thomas G.; Schnack, Dalton D.; Kruger, Scott E.; Hegna, C. C.; Sovinec, Carl R.
2010-01-01
A model which incorporates the effects of electron cyclotron current drive (ECCD) into the magnetohydrodynamic equations is implemented in the NIMROD code [C. R. Sovinec et al., J. Comput. Phys. 195, 355 (2004)] and used to investigate the effect of ECCD injection on the stability, growth, and dynamical behavior of magnetic islands associated with resistive tearing modes. In addition to qualitatively and quantitatively agreeing with numerical results obtained from the inclusion of localized ECCD deposition in static equilibrium solvers [A. Pletzer and F. W. Perkins, Phys. Plasmas 6, 1589 (1999)], predictions from the model further elaborate the role which rational surface motion plays in these results. The complete suppression of the (2,1) resistive tearing mode by ECCD is demonstrated and the relevant stabilization mechanism is determined. Consequences of the shifting of the mode rational surface in response to the injected current are explored, and the characteristic short-time responses of resistive tearing modes to spatial ECCD alignments which are stabilizing are also noted. We discuss the relevance of this work to the development of more comprehensive predictive models for ECCD-based mitigation and control of neoclassical tearing modes.
Stability of a mobile electron linear accelerator system for intraoperative radiation therapy
International Nuclear Information System (INIS)
Beddar, A. Sam
2005-01-01
The flexibility of mobile electron accelerators, which are designed to be transported to an operating room and plugged into a normal 3-phase outlet, make them ideal for use in intraoperative radiation therapy. However, their transportability may cause trepidation among potential users, who may question the stability of such an accelerator over a period of use. In order to address this issue, we have studied the short-term stability of the Mobetron system over 20 daily quality assurance trials. Variations in output generally varied within ±2% for the four energies produced by the unit (4, 6, 9, and 12 MeV) and changes in energy produced an equivalent shift of less than 1 mm on the depth-dose curve. Hours of inactivity, with the Mobetron powered on for use either throughout the day or overnight, led to variations in output of about 1%. Finally, we have tested the long-term stability of the absolute dose output of the Mobetron, which showed a change of about 1% per year
Cu-Ag core–shell nanoparticles with enhanced oxidation stability for printed electronics
International Nuclear Information System (INIS)
Lee, Changsoo; Kim, Na Rae; Koo, Jahyun; Lee, Yung Jong; Lee, Hyuck Mo
2015-01-01
In this work, we synthesized uniform Cu–Ag core–shell nanoparticles using a facile two-step process that consists of thermal decomposition and galvanic displacement methods. The core–shell structure of these nanoparticles was confirmed through characterization using transmission electron microscopy, energy-dispersive spectroscopy, and x-ray diffraction. Furthermore, we investigated the oxidation stability of the Cu–Ag core–shell nanoparticles in detail. Both qualitative and quantitative x-ray photoelectron spectroscopy analyses confirm that the Cu–Ag core–shell nanoparticles have considerably higher oxidation stability than Cu nanoparticles. Finally, we formulated a conductive ink using the synthesized nanoparticles and coated it onto glass substrates. Following the sintering process, we compared the resistivity of the Cu–Ag core–shell nanoparticles with that of the Cu nanoparticles. The results of this study clearly show that the Cu–Ag core–shell nanoparticles can potentially be used as an alternative to Ag nanoparticles because of their superior oxidation stability and electrical properties. (paper)
Structures, stabilities, and electronic properties for rare-earth lanthanum doped gold clusters
International Nuclear Information System (INIS)
Zhao, Ya-Ru
2015-01-01
The structures, stabilities, and electronic properties of rare-earth lanthanum doped gold La 2 Au n (n = 1-9) and pure gold Au n (n ≤ 11) clusters have been investigated by using density functional theory. The optimized geometries show that the lowest energy structures of La 2 Au n clusters favour the 3D structure at n ≥ 3. The lanthanum atoms can strongly enhance the stabilities of gold clusters and tend to occupy the most highly coordinated position. By analysing the gap, vertical ionization potential, and chemical hardness, it is found that the La 2 Au 6 isomer possesses higher stability for small-sized La 2 Au n clusters (n = 1-9). The charges in the La 2 Au n clusters transfer from La atoms to the Au n host. In addition, Wiberg bond indices analysis reveals that the intensity of different bonds of La 2 Au n clusters exhibits a sequence of La-La bond > La-Au bond > Au-Au bond.
International Nuclear Information System (INIS)
Judson, R.S.; McGarrah, D.B.; Sharafeddin, O.A.; Kouri, D.J.; Hoffman, D.K.
1991-01-01
We compare three time-dependent wave packet methods for performing elastic scattering calculations from screened Coulomb potentials. The three methods are the time-dependent amplitude density method (TDADM), what we term a Cayley-transform method (CTM), and the Chebyshev propagation method of Tal-Ezer and Kosloff. Both the TDADM and the CTM are based on a time-dependent integral equation for the wave function. In the first, we propagate the time-dependent amplitude density, |ζ(t)right-angle=U|ψ(t)right-angle, where U is the interaction potential and |ψ(t)right-angle is the usual time-dependent wave function. In the other two, the wave function is propagated. As a numerical example, we calculate phase shifts and cross sections using a screened Coulomb, Yukawa type potential over the range 200--1000 eV. One of the major advantages of time-dependent methods such as these is that we get scattering information over this entire range of energies from one propagation. We find that in most cases, all three methods yield comparable accuracy and are about equally efficient computationally. However for l=0, where the Coulomb well is not screened by the centrifugal potential, the TDADM requires smaller grid spacings to maintain accuracy
International Nuclear Information System (INIS)
Ross, A.W.; Fink, M.
1986-01-01
An improved set of scattering factors for all neutral elements has bee completed for inclusion in the new edition of the International Tables of X-ray Crystallography . These calculations are compared with the former electron scattering factors and the deviations between the two are discussed
Stability of Sarma phases in density imbalanced electron-hole bilayer systems
International Nuclear Information System (INIS)
Subasi, A. L.; Tanatar, B.; Pieri, P.; Senatore, G.
2010-01-01
We study excitonic condensation in an electron-hole bilayer system with unequal layer densities at zero temperature. Using mean-field theory we solve the Bardeen-Cooper-Schrieffer (BCS) gap equations numerically and investigate the effects of intralayer interactions. The electron-hole system evolves from BCS in the weak coupling limit to Bose-Einstein condensation (BEC) in the strong coupling limit. We analyze the stability of the Sarma phase with k,-k pairing by calculating the superfluid mass density and also by checking the compressibility matrix. We find that with bare Coulomb interactions the superfluid density is always positive in the Sarma phase, due to a peculiar momentum structure of the gap function originating from the singular behavior of the Coulomb potential at zero momentum and the presence of a sharp Fermi surface. Introducing a simple model for screening, we find that the superfluid density becomes negative in some regions of the phase diagram, corresponding to an instability toward a Fulde-Ferrel-Larkin-Ovchinnikov-type superfluid phase. Thus, intralayer interaction and screening together can lead to a rich phase diagram in the BCS-BEC crossover regime in electron-hole bilayer systems.
Stability and electronic structure of Zr-based ternary metallic glasses and relevant compounds
International Nuclear Information System (INIS)
Hasegawa, M.; Soda, K.; Sato, H.; Suzuki, T.; Taketomi, T.; Takeuchi, T.; Kato, H.; Mizutani, U.
2007-01-01
The electronic structure of the Zr-based metallic glasses has been investigated by theoretical and experimental approaches. One approach is band calculations of the Zr 2 Ni (Zr 66.7 Ni 33.3 ) compound to investigate the electronic structure of the Zr 66.7 Ni 33.3 metallic glass (ΔT x = 0 K) of which the local atomic structure is similar to that of the Zr 2 Ni compound. The other is photoemission spectroscopy of the Zr 50 Cu 35 Al 15 bulk metallic glass (BMG) (ΔT x = 69 K). Here ΔT x = T x - T g where T x and T g are crystallization and glass transition temperature, respectively. Both results and previous ones on the Zr 55 Cu 30 Ni 5 Al 10 BMG indicate that there is a pseudogap at the Fermi level in the electronic structure of these Zr-based metallic glasses, independent of the value of the ΔT x . This implies that the pseudogap at the Fermi level is one of the factors that stabilize the glass phase of Zr-based metallic glasses
International Nuclear Information System (INIS)
Walter, S; Blobner, F; Krause, M; Mueller, S; Heinz, K; Starke, U
2003-01-01
We present a combined experimental and theoretical investigation of the interface between a B2-type FeSi film and Si(111). Using an ultra-thin B2-FeSi film grown on Si(111), the interface is still reached by electrons, so quantitative low-energy electron diffraction (LEED) could be applied to determine the bonding geometry experimentally. As a result, the local configuration at the shallow buried interface is characterized by near-substrate Fe atoms being 8-fold coordinated to Si atoms and by the silicide unit cell being rotated by 180 deg. with respect to the Si unit cell (B8 configuration). The interface energetics were explored by total-energy calculations using density functional theory (DFT). The B8-type interface proves to be the most stable one, consistent with the experimental findings. The atomic geometries obtained experimentally (LEED) and theoretically (DFT) agree within the limits of errors. Additionally, the calculations explain the stabilization of the B2 phase, which is unstable as bulk material: the analysis of the elastic behaviour reveals a reversed energy hierarchy of B2 and the bulk stable B20 phase when epitaxial growth on Si(111) is enforced
Vliet, Jurg; Wel, Steven; Dowd, Dara
2011-01-01
While it's always been possible to run Java applications on Amazon EC2, Amazon's Elastic Beanstalk makes the process easier-especially if you understand how it works beneath the surface. This concise, hands-on book not only walks you through Beanstalk for deploying and managing web applications in the cloud, you'll also learn how to use this AWS tool in other phases of development. Ideal if you're a developer familiar with Java applications or AWS, Elastic Beanstalk provides step-by-step instructions and numerous code samples for building cloud applications on Beanstalk that can handle lots
Directory of Open Access Journals (Sweden)
Kim JH
2015-11-01
Full Text Available Jong Hyun Kim, Woo Sang Sim, Byeong Hee Won Usability Evaluation Technology Center, Advanced Biomedical and Welfare R&D Group, Korea Institute of Industrial Technology, Cheonan-si, Chungcheongnam-do, South Korea Purpose: Poor recovery of postural stability poststroke is the primary cause of impairment in activities and social participation in elderly stroke survivors. The purpose of our study was to experimentally evaluate the effectiveness of our new elastic ankle–foot orthosis (AFO, compared to a traditional AFO fabricated with hard plastic, in improving postural stability in elderly chronic stroke survivors. Patients and methods: Postural stability was evaluated in ten chronic stroke patients, 55.7±8.43 years old. Postural stability was evaluated using the standardized methods of the Biodex Balance System combined with a foot pressure system, under three experimental conditions, no AFO, rigid plastic AFO, and elastic AFO (E-AFO. The following dependent variables of postural stability were analyzed: plantar pressure under the paretic and nonparetic foot, area of the center of balance (COB and % time spent in each location, distance traveled by the COB away from the body center, distance traveled by the center of pressure, and calculated index of overall stability, as well as indices anterior–posterior and medial–lateral stability. Results: Both AFO designs improved all indices of postural stability. Compared to the rigid plastic AFO, the E-AFO produced additional positive effects in controlling anterior–posterior body sway, equalizing weight bearing through the paretic and nonparetic limbs, and restraining the displacement of the center of pressure and of the COB. Conclusion: Based on our outcomes, we recommend the prescription of E-AFOs as part of a physiotherapy rehabilitation program to promote recovery of postural stability poststroke. When possible, therapeutic outcomes should be documented using the Biodex Balance System and
Kumar, V.; Chandra, S.; Singh, J. K.
2017-08-01
Based on plasma oscillations theory of solids, simple relations have been proposed for the calculation of bond length, specific gravity, homopolar energy gap, heteropolar energy gap, average energy gap, crystal ionicity, bulk modulus, electronic polarizability and dielectric constant of rare earth divalent R+2X and trivalent R+3X monochalcogenides. The specific gravity of nine R+2X, twenty R+3X, and bulk modulus of twenty R+3X monochalcogenides have been calculated for the first time. The calculated values of all parameters are compared with the available experimental and the reported values. A fairly good agreement has been obtained between them. The average percentage deviation of two parameters: bulk modulus and electronic polarizability for which experimental data are known, have also been calculated and found to be better than the earlier correlations.
Energy Technology Data Exchange (ETDEWEB)
Kabir, Al Amin [Kent State Univ., Kent, OH (United States)
2015-12-01
Analysis of high-energy electron scattering has been used to determine the charge radii of nuclei for several decades. Recent analysis of the Lamb shift in muonic hydrogen found an r.m.s. radius significantly different than the electron scattering result. To understand this puzzle we have analyzed the "LEDEX" data for the (e, e'p) reaction. This experiment includes measurements on several light nuclei, hydrogen, deuterium, lithium, boron, and carbon. To test our ability to measure absolute cross sections, as well as our ability to extract the charge radius, we tested our technique against the extremely well-measured carbon case and found excellent agreement using the Fourier-Bessel parametrization. We then extended the procedure to boron and lithium, which show nice agreement with the latest theoretical calculations. For hydrogen, we see clearly the limits of this technique and therefore, the charge radius is determined from the traditional extrapolation to q^{2} = 0. We will show that there is a model dependence in extracting the charge radius of hydrogen and its unambiguous determination is very difficult with available electron-scattering measurements.
Energy Technology Data Exchange (ETDEWEB)
Lahiji, Mohammadreza Askaripour, E-mail: m.a.lahijiii@gmail.com [Department of applied mathematics, Astaneh Ashrafieh Branch, Islamic Azad University, Astaneh Ashrafieh (Iran, Islamic Republic of); Ziabari, Ali Abdolahzadeh, E-mail: ali.abd.ziabari@gmail.com [Nano Research Lab, Lahijan Branch, Islamic Azad University, P.O. Box: 1616, Lahijan (Iran, Islamic Republic of)
2016-11-15
The structural, elastic, electronic, and optical properties of undoped and Cu–doped ZnS nanostructured layers have been studied in the zincblende (ZB) phase, by first–principle approach. Density functional theory (DFT) has been employed to calculate the fundamental properties of the layers using full–potential linearized augmented plane–wave (FPLAPW) method. Mechanical analysis revealed that the bulk modulus increases with the increase of Cu content. Cu doping was found to reduce the band gap value of the material. In addition, DOS effective mass of the electrons and heavy holes was evaluated. Adding Cu caused the decrement/increment of transmission/reflectance of nanolayers in the UV–vis region. The substitution by Cu increased the intensity of the peaks, and a slight red shift was observed in the absorption peak. Moreover, the static dielectric constant, and static refractive index increased with Cu content. The optical conductivity also followed a similar trend to that of the dielectric constants. Energy loss function of the modeled compounds was also evaluated. All calculated parameters were compared with the available experimental and other theoretical results.
International Nuclear Information System (INIS)
Pan, Y.; Zheng, W.T.; Guan, W.M.; Zhang, K.H.; Fan, X.F.
2013-01-01
The structural formation, elastic properties, hardness and electronic structure of TMB 4 (TM=Cr, Re, Ru and Os) compounds are investigated using first-principles approach. The value of C 22 for these compounds is almost two times bigger than the C 11 and C 33 . The intrinsic hardness, shear modulus and Young's modulus are calculated to be in a sequence of CrB 4 >ReB 4 >RuB 4 >OsB 4 , and the Poisson's ratio and B/G ratio of TMB 4 follow the order of CrB 4 4 4 4 . The intrinsic hardness of CrB 4 and ReB 4 by LDA is bigger than 40 GPa. The high hardness of TMB 4 compounds is derived from the feature of B–B bonds cage and higher C 22 value. The B–B covalent bonds as bonds cage enhances the resistance to shear deformation and improve the hardness. We predict that the TMB 4 compounds with CrB 4 -type are the potential superhard materials. - Graphical abstract: The first-principles calculations show that the intrinsic hardness of CrB 4 and ReB 4 are bigger than 40 GPa, which are the potential superhard materials due to the B–B bonds cage structure. Display Omitted - Highlights: • The intrinsic hardness of CrB 4 and ReB 4 is bigger than 40 GPa. • The hardness of TMB 4 is calculated to be in a sequence of CrB 4 >ReB 4 >RuB 4 >OsB 4 . • The trend of hardness for TMB 4 is consistent with the variation of elastic modulus. • The C 22 value of TMB 4 is bigger than that of C 11 and C 33 . • The high hardness of TMB 4 is originated from the B–B bonds cage
Strain fluctuations and elastic constants
Energy Technology Data Exchange (ETDEWEB)
Parrinello, M.; Rahman, A.
1982-03-01
It is shown that the elastic strain fluctuations are a direct measure of elastic compliances in a general anisotropic medium; depending on the ensemble in which the fluctuation is measured either the isothermal or the adiabatic compliances are obtained. These fluctuations can now be calculated in a constant enthalpy and pressure, and hence, constant entropy, ensemble due to recent develpments in the molecular dynamics techniques. A calculation for a Ni single crystal under uniform uniaxial 100 tensile or compressive load is presented as an illustration of the relationships derived between various strain fluctuations and the elastic modulii. The Born stability criteria and the behavior of strain fluctuations are shown to be related.
Directory of Open Access Journals (Sweden)
Muhammad H. Al-Malack
2016-07-01
Full Text Available Fuel oil flyash (FFA produced in power and water desalination plants firing crude oils in the Kingdom of Saudi Arabia is being disposed in landfills, which increases the burden on the environment, therefore, FFA utilization must be encouraged. In the current research, the effect of adding FFA on the engineering properties of two indigenous soils, namely sand and marl, was investigated. FFA was added at concentrations of 5%, 10% and 15% to both soils with and without the addition of Portland cement. Mixtures of the stabilized soils were thoroughly evaluated using compaction, California Bearing Ratio (CBR, unconfined compressive strength (USC and durability tests. Results of these tests indicated that stabilized sand mixtures could not attain the ACI strength requirements. However, marl was found to satisfy the ACI strength requirement when only 5% of FFA was added together with 5% of cement. When the FFA was increased to 10% and 15%, the mixture’s strength was found to decrease to values below the ACI requirements. Results of the Toxicity Characteristics Leaching Procedure (TCLP, which was performed on samples that passed the ACI requirements, indicated that FFA must be cautiously used in soil stabilization.
Stability and electronic structure of superlattices (IIIV)n/(IV2)n
International Nuclear Information System (INIS)
Casagrande, D.; Ferraz, A.C.
1996-01-01
Theoretical investigations of atomic relaxation and electronic states have been made for ultrathin superlattices (GaP) n /(Ge 2 ) n , (GaP) n /(Si 2 ) n , (In P) n /(Ge 2 ) n and (In P) n /(Si 2 ) n with period n ≤ 3 in growth directions (001) and (110). The calculations were performed within the momentum-space formalism of the self-consistent ab-initio pseudopotential method and the molecular dynamics approach as proposed by Car and Parrinello. The structures were found to be unstable with respect to the phase separation into the constituent bulk materials. The results for the enthalpy show a metastability as increasing the superlattice period n. The density of nonoctet wrong-bonds play an important role to determine the stability of the structures. (author). 13 refs., 2 figs., 3 tabs
International Nuclear Information System (INIS)
Rao, D. Srinivasa; Valleti, Krishna; Joshi, S. V.; Janardhan, G. Ranga
2011-01-01
The physical and mechanical properties of yttria stabilized zirconia (YSZ) coatings deposited by the electron beam physical vapor deposition technique have been investigated by varying the key process variables such as vapor incidence angle and sample rotation speed. The tetragonal zirconia coatings formed under varying process conditions employed were found to have widely different surface and cross-sectional morphologies. The porosity, phase composition, planar orientation, hardness, adhesion, and surface residual stresses in the coated specimens were comprehensively evaluated to develop a correlation with the process variables. Under transverse scratch test conditions, the YSZ coatings exhibited two different crack formation modes, depending on the magnitude of residual stress. The influence of processing conditions on the coating deposition rate, column orientation angle, and adhesion strength has been established. Key relationships between porosity, hardness, and adhesion are also presented.
Stability assessment of a multi-port power electronic interface for hybrid micro-grid applications
Shamsi, Pourya
Migration to an industrial society increases the demand for electrical energy. Meanwhile, social causes for preserving the environment and reducing pollutions seek cleaner forms of energy sources. Therefore, there has been a growth in distributed generation from renewable sources in the past decade. Existing regulations and power system coordination does not allow for massive integration of distributed generation throughout the grid. Moreover, the current infrastructures are not designed for interfacing distributed and deregulated generation. In order to remedy this problem, a hybrid micro-grid based on nano-grids is introduced. This system consists of a reliable micro-grid structure that provides a smooth transition from the current distribution networks to smart micro-grid systems. Multi-port power electronic interfaces are introduced to manage the local generation, storage, and consumption. Afterwards, a model for this micro-grid is derived. Using this model, the stability of the system under a variety of source and load induced disturbances is studied. Moreover, pole-zero study of the micro-grid is performed under various loading conditions. An experimental setup of this micro-grid is developed, and the validity of the model in emulating the dynamic behavior of the system is verified. This study provides a theory for a novel hybrid micro-grid as well as models for stability assessment of the proposed micro-grid.
Czech Academy of Sciences Publication Activity Database
Landa, Michal; Sedlák, Petr; Šittner, Petr; Seiner, Hanuš; Novák, Václav
2007-01-01
Roč. 462, 1-2 (2007), s. 320-324 ISSN 0921-5093 R&D Projects: GA ČR(CZ) GA101/06/0768 Institutional research plan: CEZ:AV0Z20760514; CEZ:AV0Z10100521 Keywords : shape memory alloys * martensitic transformation * elastic constants Subject RIV: BI - Acoustics Impact factor: 1.457, year: 2007
International Nuclear Information System (INIS)
Jardillier, Johann
1999-01-01
In the quark model, the proton is described as a system of three quarks UUD. However, recent experiments (CERN, SLAC) have shown that the strange quarks may contribute in a significant way to the mass and the spin of the proton. The HAPPEX experiment gives one further knowledge about the question of the role the strange quarks play inside the proton. It measures parity violating asymmetry in the scattering of polarized electrons from a proton because the latter is sensitive to the contribution of the strange quarks to the electromagnetic form factors of the nucleon. The observed asymmetry is in the order of a few ppm (part per million). The main difficulty of the experiment is to identify, to estimate and to minimize, as much as possible, all the systematic effects which could give rise to false asymmetries. This thesis discusses the principle of the HAPPEX experiment, its implementation at the Jefferson Lab (JLab), the processing and the analysis of the data, the systematic errors, and finally presents the result of the first data taking (1999) and its present interpretation. The HAPPEX experiment has measured, at Q 2 = 0.5 (GeV/c) 2 , a strange quarks contribution of (1.0 ± 2.3)% to the electromagnetic form factors of the nucleon. The statistics and the systematic effects (measure of the electron beam polarization and knowledge of the neutron electric form factor) contribute equally to the error. (author)
Shokuhi Rad, A.; Ebrahimi, D.
2017-07-01
The effects of electron beam irradiation and presence of clay on the mechanical properties and thermal stability of montmorillonite clay-modified polyvinyl alcohol nanocomposites were studied. By using the X-ray diffraction (XRD) and transmission electron microscopy (TEM), the microstructure of the nanocomposites was investigated. The results obtained from TEM and XRD tests showed that montmorillonite clay nanoparticles were located in the polyvinyl alcohol phase. The XRD analysis confirmed the formation of an exfoliated structure in nanocomposites samples. Increasing the amount of clay to 20 wt.% increased the tensile strength and modulus of the nanocomposite. Irradiation up to an absorbed dose of 100 kGy increased its mechanical properties and thermal stability, but at higher irradiation levels, the mechanical strength and thermal stability declined. The sample with 20 wt.% of the nanofiller, exposed to 100 kGy, showed the highest mechanical strength and thermal stability.
Stability, electrochemical behaviors and electronic structures of iron hydroxyl-phosphate
Energy Technology Data Exchange (ETDEWEB)
Wang Zhongli; Sun Shaorui; Li Fan; Chen Ge [College of Environmental and Energy Engineering, Beijing University of Technology, Pingleyuan 100, Chaoyang District, Beijing 100022 (China); Xia Dingguo, E-mail: dgxia@bjut.edu.cn [College of Environmental and Energy Engineering, Beijing University of Technology, Pingleyuan 100, Chaoyang District, Beijing 100022 (China); Zhao Ting; Chu Wangsheng [Institute of High Energy Physics, Chinese Academy of Sciences, Beijing 100049 (China); University of Science and Technology of China, Hefei 230026 (China); Wu Ziyu, E-mail: wuzy@ihep.ac.cn [Institute of High Energy Physics, Chinese Academy of Sciences, Beijing 100049 (China); University of Science and Technology of China, Hefei 230026 (China)
2010-09-01
Iron hydroxyl-phosphate with a uniform spherical particle size of around 1 {mu}m, a compound of the type Fe{sub 2-y}{open_square}{sub y}(PO{sub 4})(OH){sub 3-3y}(H{sub 2}O){sub 3y-2} (where {open_square} represents a vacancy), has been synthesized by hydrothermal methods. The particles are composed of spheres of diameter <100 nm. The compound exhibits good electrochemical performance, with reversible capacities of around 150 mAh g{sup -1} and 120 mAh g{sup -1} at current densities of 170 mA g{sup -1} and 680 mA g{sup -1}, respectively. The stability of crystal structure of this material was studied by TGA and XRD which show that the material remains stable at least up to the temperature 200 deg. C. Investigation of the electronic structure of the iron hydroxyl-phosphate by GGA + U calculation has indicated that it has a better electronic conductivity than LiFePO{sub 4}.
International Nuclear Information System (INIS)
Tavakoli, Mahmoud; Rocha, Rui; Osorio, Luis; Almeida, Miguel; De Almeida, Anibal; Ramachandran, Vivek; Tabatabai, Arya; Lu, Tong; Majidi, Carmel
2017-01-01
Carbon doped PDMS (cPDMS), has been used as a conductive polymer for stretchable electronics. Compared to liquid metals, cPDMS is low cost and is easier to process or to print with an additive manufacturing process. However, changes on the conductance of the carbon based conductive PDMS (cPDMS) were observed over time, in particular after integration of cPDMS and the insulating polymer. In this article we investigate the process parameters that lead to improved stability over conductance of the cPDMS over time. Slight modifications to the fabrication process parameters were conducted and changes on the conductance of the samples for each method were monitored. Results suggested that change of the conductance happens mostly after integration of a pre-polymer over a cured cPDMS, and not after integration of the cPDMS over a cured insulating polymer. We show that such changes can be eliminated by adjusting the integration priority between the conductive and insulating polymers, by selecting the right curing temperature, changing the concentration of the carbon particles and the thickness of the conductive traces, and when possible by changing the insulating polymer material. In this way, we obtained important conclusions regarding the effect of these parameters on the change of the conductance over time, that should be considered for additive manufacturing of soft electronics. Also, we show that these changes can be possibly due to the diffusion from PDMS into cPDMS. (paper)
Geometric stability and electronic structure of infinite and finite phosphorus atomic chains
International Nuclear Information System (INIS)
Qiao Jingsi; Zhou Linwei; Ji Wei
2017-01-01
One-dimensional mono- or few-atomic chains were successfully fabricated in a variety of two-dimensional materials, like graphene, BN, and transition metal dichalcogenides, which exhibit striking transport and mechanical properties. However, atomic chains of black phosphorus (BP), an emerging electronic and optoelectronic material, is yet to be investigated. Here, we comprehensively considered the geometry stability of six categories of infinite BP atomic chains, transitions among them, and their electronic structures. These categories include mono- and dual-atomic linear, armchair, and zigzag chains. Each zigzag chain was found to be the most stable in each category with the same chain width. The mono-atomic zigzag chain was predicted as a Dirac semi-metal. In addition, we proposed prototype structures of suspended and supported finite atomic chains. It was found that the zigzag chain is, again, the most stable form and could be transferred from mono-atomic armchair chains. An orientation dependence was revealed for supported armchair chains that they prefer an angle of roughly 35 ° –37 ° perpendicular to the BP edge, corresponding to the [110] direction of the substrate BP sheet. These results may promote successive research on mono- or few-atomic chains of BP and other two-dimensional materials for unveiling their unexplored physical properties. (special topic)
International Nuclear Information System (INIS)
Hedegard, Per; Bjornholm, Thomas
2005-01-01
The present paper gives an elaborate theoretical description of a new molecular charge transport mechanism applying to a single molecule trapped between two macroscopic electrodes in a solid state device. It is shown by a Hubbard type model of the electronic and electrostatic interactions, that the close proximity of metal electrodes may allow electrons to tunnel from the electrode directly into very localized image charge stabilized states on the molecule. Due to this mechanism, an exceptionally large number of redox states may be visited within an energy scale which would normally not allow the molecular HOMO-LUMO gap to be transversed. With a reasonable set of parameters, a good fit to recent experimental values may be obtained. The theoretical model is furthermore used to search for the physical boundaries of this effect, and it is found that a rather narrow geometrical space is available for the new mechanism to work: in the specific case of oligophenylenevinylene molecules recently explored in such devices several atoms in the terminal benzene rings need to be at van der Waal's distance to the electrode in order for the mechanism to work. The model predicts, that chemisorption of the terminal benzene rings too gold electrodes will impede the image charge effect very significantly because the molecule is pushed away from the electrode by the covalent thiol-gold bond
First-principles calculations of BC{sub 4}N nanostructures: stability and electronic structure
Energy Technology Data Exchange (ETDEWEB)
Freitas, A.; Azevedo, S. [Universidade Federal da Paraiba, CCEN, Departamento de Fisica, Joao Pessoa, PB (Brazil); Machado, M. [Universidade Federal de Pelotas, Departamento de Fisica, Pelotas, RS (Brazil); Kaschny, J.R. [Instituto Federal da Bahia-Campus Vitoria da Conquista, Vitoria da Conquista, BA (Brazil)
2012-07-15
In this work, we apply first-principles methods to investigate the stability and electronic structure of BC{sub 4}N nanostructures which were constructed from hexagonal graphite layers where substitutional nitrogen and boron atoms are placed at specific sites. These layers were rolled up to form zigzag and armchair nanotubes, with diameters varying from 7 to 12 A, or cut and bent to form nanocones, with 60 and 120 disclination angles. The calculation results indicate that the most stable structures are the ones which maximize the number of B-N and C-C bonds. It is found that the zigzag nanotubes are more stable than the armchair ones, where the strain energy decreases with increasing tube diameter D, following a 1/D {sup 2} law. The results show that the 60 disclination nanocones are the most stable ones. Additionally, the calculated electronic properties indicate a semiconducting behavior for all calculated structures, which is intermediate to the typical behaviors found for hexagonal boron nitride and graphene. (orig.)
Modak, P; Verma, Ashok K
2016-03-28
Pressure induced structural sequences and their mechanism for light actinide (Th-U) mononitrides were studied as a function of 5f-electron number using first-principles total energy and electronic structure calculations. Zero pressure lattice constants, bulk module and C11 elastic module vary systematically with 5f-electron number implying its direct role on crystal binding. There is a critical 5f-electron number below which the system makes B1-B2 and above it B1-R3̄m-B2 structural sequence under pressure. Also, the B1-B2 transition pressure increases with increasing 5f-electron number whereas an opposite trend is obtained for the B1-R3̄m transition pressure. The ascending of N p anti-bonding states through the Fermi level at high pressure is responsible for the structural instability of the system. Above the critical 5f-electron number in the system a narrow 5f-band occurs very close to the Fermi level which allows the system to lower its symmetry via band Jahn-Teller type lattice distortion and the system undergoes a B1-R3̄m phase transition. However, below the critical 5f-electron number this mechanism is not favorable due to a lack of sufficient 5f-state occupancy and thus the system undergoes a B1-B2 phase transition like other ionic solids.
Theoretical study of stability geometrical and electronic structure of (BeHsub(2))sub(n) oligomers
Energy Technology Data Exchange (ETDEWEB)
Sukhanov, L P; Boldyrev, A I; Charkin, O P [AN SSSR, Moscow. Inst. Novykh Khimicheskikh Problem
1983-01-01
The Hartree-Fock-Ruthane method with the Roos-Siegbahn two-exponent basis is used to calculate stability, geometrical and electronic structures of (BeHsub(2))sub(n) oligomers, where n=1, 2, 3, 4 and 6. It is shown that with the growth of oligomerization degree n stability of linear band structure is increased as compared with other configurations including high-coordination volumetric ones. Tendencies in formation with n growth of geometrical, energetic characteristics, electronic structure of (BeHsub(2))sub(n) oligomers of band type are analysed.
A stability analysis of electron-positron pair equilibria of a two-temperature plasma cloud
Energy Technology Data Exchange (ETDEWEB)
Sikora, M [Colorado Univ., Boulder, CO (USA); Zbyszewska, M [Polska Akademia Nauk, Warsaw (Poland). Centrum Astronomiczne
1986-01-01
The stability of a two-temperature homogeneous static plasma cloud against pair density perturbations is examined. We assumed that the electrons and positrons, cooled via radiation process, are reheated via Coulomb interactions with much hotter protons. Pair equilibrium plasma states are shown to be unstable if deltan{sub e}/deltan{sub p}<0 and deltan{sub e}/deltaT{sub p}<0 on the equilibrium surface n{sub e}{sup eq}(n{sub p},T{sub p}), where n{sub e}=n{sub +}+n{sub -}, n{sub p} and T{sub p} denote electron plus positron density, proton density and proton temperature, respectively. The minimum proton temperature and maximum proton density for which unstable states can appear are: (kT{sub p}){sub min} approx few x m{sub e}c{sup 2} and (n{sub p}){sub max} approx few/Rsigma{sub T}, where R is the plasma cloud radius. We discuss our results in the context of an accreting black hole model assuming that the proton temperature is close to its virial value, kT{sub p}{sup vir} approx GMm{sub p}/R and that subsonic accretion flow is realized at R < tens Schwarzschild radii. The unstable states then correspond to the luminosity range 0.01 L{sub Edd}
International Nuclear Information System (INIS)
Leader, Elliot
1991-01-01
With very few unexplained results to challenge conventional ideas, physicists have to look hard to search for gaps in understanding. An area of physics which offers a lot more than meets the eye is elastic and diffractive scattering where particles either 'bounce' off each other, emerging unscathed, or just graze past, emerging relatively unscathed. The 'Blois' workshops provide a regular focus for this unspectacular, but compelling physics, attracting highly motivated devotees
International Nuclear Information System (INIS)
Meinhold, Lars; Clement, David; Tehei, M.; Daniel, R.M.; Finney, J.L.; Smith, Jeremy C.
2008-01-01
The temperature dependence of the dynamics of mesophilic and thermophilic dihydrofolate reductase is examined using elastic incoherent neutron scattering. It is demonstrated that the distribution of atomic displacement amplitudes can be derived from the elastic scattering data by assuming a (Weibull) functional form that resembles distributions seen in molecular dynamics simulations. The thermophilic enzyme has a significantly broader distribution than its mesophilic counterpart. Furthermore, although the rate of increase with temperature of the atomic mean-square displacements extracted from the dynamic structure factor is found to be comparable for both enzymes, the amplitudes are found to be slightly larger for the thermophilic enzyme. Therefore, these results imply that the thermophilic enzyme is the more flexible of the two
Czech Academy of Sciences Publication Activity Database
Friák, Martin; Všianská, Monika; Holec, D.; Zelený, M.; Šob, Mojmír
2017-01-01
Roč. 18, č. 1 (2017), s. 273-282 ISSN 1468-6996 R&D Projects: GA ČR(CZ) GA16-24711S Institutional support: RVO:68081723 Keywords : ab initio calculations * elasticity * grain boundaries * segregation Subject RIV: BM - Solid Matter Physics ; Magnetism OBOR OECD: Condensed matter physics (including formerly solid state physics, supercond.) Impact factor: 3.798, year: 2016
Energy Technology Data Exchange (ETDEWEB)
Costescu, A [Department of Physics, University of Bucharest, MG11, Bucharest-Magurele 76900 (Romania); Spanulescu, S [Department of Physics, University of Bucharest, MG11, Bucharest-Magurele 76900 (Romania); Stoica, C [Department of Physics, University of Bucharest, MG11, Bucharest-Magurele 76900 (Romania)
2007-08-14
The right expressions of the nonrelativistic K-shell Rayleigh scattering amplitudes and cross-sections are obtained by using the Coulomb Green's function method. Our analytical result does not have the spurious poles that occur in the old nonrelativistic result with retardation (Gavrila and Costescu 1970 Phys. Rev. A 2 1752). Starting from the expression of the second-order S-matrix element for the case of the elastic scattering of photons by K-shell bound electrons, we obtain the correct nonrelativistic Rayleigh angular distribution (valid for photon energies {omega} up to {alpha}Zm) by removing the relativistic higher order terms in {alpha}Z and {omega}/m. The imaginary part of the Rayleigh amplitudes is obtained for any scattering angles in a closed form in terms of elementary functions. Thereby a simple formula for the exact nonrelativistic photoeffect total cross-section is obtained via the optical theorem, giving significantly better predictions than Fischer's nonrelativistic photoeffect formula. Comparing the predictions given by our formulae with the full relativistic numerical calculations of Kissel et al (Phys. Rev. 1980 A 22 1970), and with experimental results, a fairly good agreement within 10% is found for the angular distribution of Rayleigh scattering for photon energies up to 200 keV and both below and above the first resonance.
International Nuclear Information System (INIS)
Thirumalai, D.; Onda, K.; Truhlar, D.G.
1981-01-01
Coupled-channels calculations based on an effective potential are presented for electron scattering by CO 2 at 10 eV impact energy. The processes studied are pure elastic scattering, rotational excitation, and vibrational excitation of the asymmetric stretch; the vibrational excitation is always accompanied by rotational excitation. The quantities calculated are differential, partial, integral, and momentum transfer cross sections, both state to state and summed over final rotational states for a given final vibrational level. The effective potential is based on the INDOX2/1s method for the static and polarization potentials and the semiclassical exchange approximation for the exchange potential. There are no empirical parameters. The present calculations are compared to experiment and to previous calculations where available, and we also perform calculations with an altered polarization potential to further elucidate the reasons for the differences from one of the previous calculations. The agreement of the present results with the experimental rotationally summed, vibrationally inelastic differential cross section is excellent
International Nuclear Information System (INIS)
Caillon, J-C.; Labarsouque, J.
1997-01-01
So far, the non-relativistic longitudinal and transverse functions in electron quasi-elastic scattering on the nuclei failed in reproducing satisfactorily the existent experimental data. The calculations including relativistic RPA correlations utilize until now the relativistic Hartree approximation to describe the nuclear matter. But, this provides an incompressibility module two times higher than its experimental value what is an important drawback for the calculation of realistic relativistic RPA correlations. Hence, we have determined the RPA response functions of nuclei by utilising a description of the relativistic nuclear matter leading to an incompressibility module in agreement with the empirical value. To do that we have utilized an interaction in the relativistic Hartree approximation in which we have determined the coupling constants σ-N and ω-N as a function of the density in order to reproduce the saturation curve obtained by a Dirac-Brueckner calculation. The results which we have obtained show that the longitudinal response function and the Coulomb sum generally overestimated when one utilizes the pure relativistic Hartree approximation, are here in good agreement with the experimental data for several nuclei
Directory of Open Access Journals (Sweden)
Mian Shabeer Ahmad
2017-04-01
Full Text Available The structural, electronic, elastic and optical properties of CsYx I(1 − x(Y = F, Cl, Br are investigated using full potential linearized augmented plane wave (FP-LAPW method within the generalized gradient approximation (GGA. The ground state properties such as lattice constant (ao and bulk modulus (K have been calculated. The mechanical properties including Poisson’s ratio (σ, Young’s modulus (E, anisotropy factor (A and shear modulus (G were also calculated. The results of these calculations are comparable with the reported experimental and theoretical values. The ductility of CsYx I(1 − x was analyzed using Pugh’s rule (B/G ratio and Cauchy’s pressure (C12−C44. Our results revealed that CsF is the most ductile among the CsYxI(1 − x(Y = F, Cl, Br compounds. The incremental addition of lighter halogens (Yx slightly weakens the strength of ionic bond in CsYxI(1 − x. Moreover, the optical transitions were found to be direct for binary and ternary CsYxI(1 − x. We hope that this study will be helpful in designing binary and ternary Cs halides for optoelectronic applications.
Energy Technology Data Exchange (ETDEWEB)
Koo, Hyun-Na; Yun, Seung-Hwan; Yoon, Changmann [Department of Plant Medicine, College of Agriculture, Life and Environment Sciences, Chungbuk National University, Cheongju 361-763 (Korea, Republic of); Kim, Gil-Hah, E-mail: khkim@chungbuk.ac.kr [Department of Plant Medicine, College of Agriculture, Life and Environment Sciences, Chungbuk National University, Cheongju 361-763 (Korea, Republic of)
2012-01-15
The American serpentine leafminer fly, Liriomyza trifolii (Burgess), is one of the most destructive polyphagous pests worldwide. In this study, we determined electron beam doses for inhibition of normal development of the leaf miner and investigated the effect of electron beam irradiation on DNA damage and p53 stability. Eggs (0-24 h old), larvae (2nd instar), puparia (0-24 h old after pupariation) and adults (24 h after emergence) were irradiated with increasing doses of electron beam irradiation (six levels between 30 and 200 Gy). At 150 Gy, the number of adults that developed from irradiated eggs, larvae and puparia was lower than in the untreated control. Fecundity and egg hatchability decreased depending on the doses applied. Reciprocal crosses between irradiated and unirradiated flies demonstrated that males were more radiotolerant than females. Adult longevity was not affected in all stages. The levels of DNA damage in L. trifolii adults were evaluated using the alkaline comet assay. Our results indicate that electron beam irradiation increased levels of DNA damage in a dose-dependent manner. Moreover, low doses of electron beam irradiation led to the rapid appearance of p53 protein within 6 h; however, it decreased after exposure to high doses (150 Gy and 200 Gy). These results suggest that electron beam irradiation induced not only abnormal development and reproduction but also p53 stability caused by DNA damage in L. trifolii. We conclude that a minimum dose of 150 Gy should be sufficient for female sterilization of L. trifolii. - Highlights: > Electron beam irradiation inhibited normal development of the leaf miner. > Electron beam irradiation inhibited normal reproduction of the leaf miner. > Electron beam irradiation increased levels of DNA damage. > Electron beam irradiation induced p53 stability.
Ball, James M.; Bouwer, Ricardo K.M.; Kooistra, Floris B.; Frost, Jarvist M.; Qi, Yabing; Buchaca Domingo, Ester; Smith, Jeremy; de Leeuw, Dago M.; Hummelen, Jan C.; Nelson, Jenny; Kahn, Antoine; Stingelin, Natalie; Bradley, Donal D.C.; Anthopoulos, Thomas D.
2011-01-01
The family of soluble fullerene derivatives comprises a widely studied group of electron transporting molecules for use in organic electronic and optoelectronic devices. For electronic applications, electron transporting (n-channel) materials are required for implementation into organic
Electron paramagnetic resonance study of Ce doped partially stabilized ZrO2 crystals
Directory of Open Access Journals (Sweden)
Mikhail А. Borik
2017-09-01
Full Text Available ZrO2 (PSZ solid solutions crystals stabilized with yttrium and cerium oxides have been studied using electron paramagnetic resonance (EPR in the X and Q ranges. Zr3+ have been observed centers in the as-annealed ZrO2 crystals stabilized only by yttrium oxide (2.8 mol% Y2O3. Another type of paramagnetic-O-centers appear as a result of CeO2 addition to ZrO2 crystals along with yttrium oxide. To estimate the concentration of Ce3+ ions in PZS crystals, we recorded the EPR spectra in the presence of a reference at 7 K. Paramagnetic Ce3+ ions have been identified and their relative amount in the PSZ crystals before and after high-temperature heat treatment has been assessed. Annealing in air leads decreases the concentration of Ce3+ ions for all the test compositions and changes the color of the crystals from red to white. After annealing of the sample 2.0Y0.8Ce3Zr, the amount of paramagnetic Ce3+ ions decreased approximately twofold. Paramagnetic centers from Ce3+ have not been detected in the specimen with a low cerium content of 0.1 mol% after annealing which indicates the complete transition of Ce3+ to the Ce4+ state. We show that the forming cerium paramagnetic centers are bound by strong exchange interactions. No angular dependence of the EPR lines of the paramagnetic Ce3+ cations on the applied external magnetic field has been observed. Probable origin of the absence of angular dependence is that the impurity rare-earth ions are located close to one another, forming impurity clusters with an effective spin of Seff=1/2.
Bastos, Carlos M. O.; Sabino, Fernando P.; Sipahi, Guilherme M.; Da Silva, Juarez L. F.
2018-02-01
Despite the large number of theoretical III-V semiconductor studies reported every year, our atomistic understanding is still limited. The limitations of the theoretical approaches to yield accurate structural and electronic properties on an equal footing, is due to the unphysical self-interaction problem that mainly affects the band gap and spin-orbit splitting (SOC) in semiconductors and, in particular, III-V systems with similar magnitude of the band gap and SOC. In this work, we report a consistent study of the structural and electronic properties of the III-V semiconductors by using the screening hybrid-density functional theory framework, by fitting the α parameters for 12 different III-V compounds, namely, AlN, AlP, AlAs, AlSb, GaN, GaP, GaAs, GaSb, InN, InP, InAs, and InSb, to minimize the deviation between the theoretical and experimental values of the band gap and SOC. Structural relaxation effects were also included. Except for AlP, whose α = 0.127, we obtained α values that ranged from 0.209 to 0.343, which deviate by less than 0.1 from the universal value of 0.25. Our results for the lattice parameter and elastic constants indicate that the fitting of α does not affect those structural parameters when compared with the HSE06 functional, where α = 0.25. Our analysis of the band structure based on the k ṡ p method shows that the effective masses are in agreement with the experimental values, which can be attributed to the simultaneous fitting of the band gap and SOC. Also, we estimate the values of g-factors, extracted directly from the band structure, which are close to experimental results, which indicate that the obtained band structure produced a realistic set of k ṡ p parameters.
International Nuclear Information System (INIS)
Ching, W. Y.; Rulis, Paul; Aryal, Sitaram; Ouyang, Lizhi; Misra, Anil
2010-01-01
Microstructures such as intergranular glassy films (IGFs) are ubiquitous in many structural ceramics. They control many of the important physical properties of polycrystalline ceramics and can be influenced during processing to modify the performance of devices that contain them. In recent years, there has been intense research, both experimentally and computationally, on the structure and properties of IGFs. Unlike grain boundaries or dislocations with well-defined crystalline planes, the atomic scale structure of IGFs, their fundamental electronic interactions, and their bonding characteristics are far more complicated and not well known. In this paper, we present the results of theoretical simulations using ab initio methods on an IGF model in β-Si 3 N 4 with prismatic crystalline planes. The 907-atom model has a dimension of 14.533 A x 15.225 A x 47.420 A . The IGF layer is perpendicular to the z axis, 16.4 A wide, and contains 72 Si, 32 N, and 124 O atoms. Based on this model, the mechanical and elastic properties, the electronic structure, the interatomic bonding, the localization of defective states, the distribution of electrostatic potential, and the optical dielectric function are evaluated and compared with crystalline β-Si 3 N 4 . We have also performed a theoretical tensile experiment on this model by incrementally extending the structure in the direction perpendicular to the IGF plane until the model fully separated. It is shown that fracture occurs at a strain of 9.42% with a maximum stress of 13.9 GPa. The fractured segments show plastic behavior and the formation of surfacial films on the β-Si 3 N 4 . These results are very different from those of a previously studied basal plane model [J. Chen et al., Phys. Rev. Lett. 95, 256103 (2005)] and add insights to the structure and behavior of IGFs in polycrystalline ceramics. The implications of these results and the need for further investigations are discussed.
International Nuclear Information System (INIS)
La Haye, R.J.; Isayama, A.; Maraschek, M.
2009-01-01
The system planned for electron cyclotron current drive (ECCD) in ITER can mitigate the deleterious effects of neoclassical tearing modes (NTMs) provided that either adequate alignment of the ECCD to the rational surface is maintained or too large a misalignment is corrected on a time scale shorter than the deleterious plasma response to 'large' islands. Resistive neoclassical tearing modes will be the principal limit on stability and performance in the ITER standard scenario as the drag from rotating island induced eddy current in the resistive wall (particularly from the m/n = 2/1 mode) can slow the plasma rotation, produce locking to the wall and cause loss of high-confinement H-mode and disruption. Continuous wave (cw) ECCD at the island rational surface is successful in stabilization and/or prevention of NTMs in ASDEX Upgrade, DIII-D and JT-60U. Modulating the ECCD so that it is absorbed only on the rotating island O-point is proving successful in recovering effectiveness in ASDEX Upgrade when the ECCD is configured for wider deposition as expected in ITER. The models for the effect of misalignment on ECCD effectiveness are applied to ITER. Tolerances for misalignment are presented to establish criteria for both the alignment (by moving mirrors in ITER) in the presence of an island, and for the accuracy of real-time ITER MHD equilibrium reconstruction in the absence of an island, i.e. alignment to the mode or to the rational surface in the absence of the mode. The narrower ECCD with front steering makes precise alignment more necessary for the most effective stabilization even though the ECCD is still relatively broad, with current density deposition (full width half maximum) almost twice the marginal island width. This places strict requirements on ECCD alignment with the expected ECCD effectiveness dropping to zero for misalignments as small as 1.7 cm. The system response time for growing islands and slowing rotation without and with ECCD (at different