Coulomb repulsion in short polypeptides.
Norouzy, Amir; Assaf, Khaleel I; Zhang, Shuai; Jacob, Maik H; Nau, Werner M
2015-01-08
Coulomb repulsion between like-charged side chains is presently viewed as a major force that impacts the biological activity of intrinsically disordered polypeptides (IDPs) by determining their spatial dimensions. We investigated short synthetic models of IDPs, purely composed of ionizable amino acid residues and therefore expected to display an extreme structural and dynamic response to pH variation. Two synergistic, custom-made, time-resolved fluorescence methods were applied in tandem to study the structure and dynamics of the acidic and basic hexapeptides Asp6, Glu6, Arg6, Lys6, and His6 between pH 1 and 12. (i) End-to-end distances were obtained from the short-distance Förster resonance energy transfer (sdFRET) from N-terminal 5-fluoro-l-tryptophan (FTrp) to C-terminal Dbo. (ii) End-to-end collision rates were obtained for the same peptides from the collision-induced fluorescence quenching (CIFQ) of Dbo by FTrp. Unexpectedly, the very high increase of charge density at elevated pH had no dynamical or conformational consequence in the anionic chains, neither in the absence nor in the presence of salt, in conflict with the common view and in partial conflict with accompanying molecular dynamics simulations. In contrast, the cationic peptides responded to ionization but with surprising patterns that mirrored the rich individual characteristics of each side chain type. The contrasting results had to be interpreted, by considering salt screening experiments, N-terminal acetylation, and simulations, in terms of an interplay of local dielectric constant and peptide-length dependent side chain charge-charge repulsion, side chain functional group solvation, N-terminal and side chain charge-charge repulsion, and side chain-side chain as well as side chain-backbone interactions. The common picture that emerged is that Coulomb repulsion between water-solvated side chains is efficiently quenched in short peptides as long as side chains are not in direct contact with each
Electron attraction mediated by Coulomb repulsion.
Hamo, A; Benyamini, A; Shapir, I; Khivrich, I; Waissman, J; Kaasbjerg, K; Oreg, Y; von Oppen, F; Ilani, S
2016-07-21
One of the defining properties of electrons is their mutual Coulomb repulsion. However, in solids this basic property may change; for example, in superconductors, the coupling of electrons to lattice vibrations makes the electrons attract one another, leading to the formation of bound pairs. Fifty years ago it was proposed that electrons can be made attractive even when all of the degrees of freedom in the solid are electronic, by exploiting their repulsion from other electrons. This attraction mechanism, termed 'excitonic', promised to achieve stronger and more exotic superconductivity. Yet, despite an extensive search, experimental evidence for excitonic attraction has yet to be found. Here we demonstrate this attraction by constructing, from the bottom up, the fundamental building block of the excitonic mechanism. Our experiments are based on quantum devices made from pristine carbon nanotubes, combined with cryogenic precision manipulation. Using this platform, we demonstrate that two electrons can be made to attract each other using an independent electronic system as the 'glue' that mediates attraction. Owing to its tunability, our system offers insights into the underlying physics, such as the dependence of the emergent attraction on the underlying repulsion, and the origin of the pairing energy. We also demonstrate transport signatures of excitonic pairing. This experimental demonstration of excitonic pairing paves the way for the design of exotic states of matter.
Fast Electron Repulsion Integrals for Molecular Coulomb Sturmians
DEFF Research Database (Denmark)
Avery, James Emil
2013-01-01
A new method is presented for calculating interelectron repulsion integrals for molecular Coulomb Sturmian basis sets. This makes use of an expansion of densities in terms of 2k-Sturmians, and the interelectron repulsion integrals are then calculated by a method based on the theory of hyperspheri......A new method is presented for calculating interelectron repulsion integrals for molecular Coulomb Sturmian basis sets. This makes use of an expansion of densities in terms of 2k-Sturmians, and the interelectron repulsion integrals are then calculated by a method based on the theory...... of hyperspherical harmonics. A rudimentary software library has been implemented and preliminary benchmarks indicate very good performance: On average 40 ns, or approximately 80 clock cycles, per electron repulsion integral. This makes molecular Coulomb Sturmians competitive with Gaussian type orbitals in terms...
4-center STO interelectron repulsion integrals with Coulomb Sturmians
DEFF Research Database (Denmark)
Avery, James Emil; Avery, John Scales
2018-01-01
Abstract We present a method for evaluating 4-center electron repulsion integrals (ERI) for Slater-type orbitals by way of expansions in terms of Coulomb Sturmians. The ERIs can then be evaluated using our previously published methods for rapid evaluation of Coulomb Sturmians through hyperspherical...
Role of Coulomb repulsion in multilayer cuprate superconductor
International Nuclear Information System (INIS)
Singh Chauhan, Ekta; Singh, Vipul; Masih, Piyush
2012-01-01
Although BCS theory completely neglects coulomb repulsion; Anderson and Morel showed very early that it plays a central role in superconductivity. Since all high T c superconductors are based on the structure of closely spaced square planner CuO 2 layers and role of interlayer interaction plays important role in enhancement of T c . Therefore the work has been dealt with 'Role of Coulomb repulsion in Multilayer Cuprate Superconductors'. An expression for transition temperature T c is obtained by using simple integration technique and is numerically solved. It has found that T c decreases with electronic repulsion. (author)
Phases and amplitudes for a modified repulsive Coulomb field
International Nuclear Information System (INIS)
Chidichimo, M.C.; Davison, T.S.
1990-01-01
The asymptotic form of the radial wave function for positive-energy states is calculated for the case of a repulsive Coulomb field. The cases of a pure Coulomb potential and a modified Coulomb potential are considered. Second-order analytic solutions for the amplitudes and phases are obtained when the modifications to the pure Coulombic potential take the form αr -2 +βr -3 +γr -4 , using the Jeffreys or WKB method. For the case of a pure Coulomb field, numerical results obtained from this method were compared with ''exact'' numerical results that were obtained using the analytic properties of the Coulomb wave functions. Tables are presented to show the conditions under which the method is accurate
Coulomb repulsion in (TMTSF)2X and (TMTTF)2X
DEFF Research Database (Denmark)
Mortensen, Kell; Engler, E. M.
1985-01-01
On the basis of studies of transport properties of (TMTSF)2 X, (TMTTF)2X and their binary alloys the authors discuss the role of on-site Coulomb repulsion relative to the transfer integrals. In TMTTF-salts U/ta are believed to be large, resulting in a Hubbard gap, whereas U/ta in TMTSF-salts are ......On the basis of studies of transport properties of (TMTSF)2 X, (TMTTF)2X and their binary alloys the authors discuss the role of on-site Coulomb repulsion relative to the transfer integrals. In TMTTF-salts U/ta are believed to be large, resulting in a Hubbard gap, whereas U/ta in TMTSF...
Pairing from dynamically screened Coulomb repulsion in bismuth
Ruhman, Jonathan; Lee, Patrick A.
2017-12-01
Recently, Prakash et al. have discovered bulk superconductivity in single crystals of bismuth, which is a semimetal with extremely low carrier density. At such low density, we argue that conventional electron-phonon coupling is too weak to be responsible for the binding of electrons into Cooper pairs. We study a dynamically screened Coulomb interaction with effective attraction generated on the scale of the collective plasma modes. We model the electronic states in bismuth to include three Dirac pockets with high velocity and one hole pocket with a significantly smaller velocity. We find a weak-coupling instability, which is greatly enhanced by the presence of the hole pocket. Therefore we argue that bismuth is the first material to exhibit superconductivity driven by retardation effects of Coulomb repulsion alone. By using realistic parameters for bismuth we find that the acoustic plasma mode does not play the central role in pairing. We also discuss a matrix element effect, resulting from the Dirac nature of the conduction band, which may affect Tc in the s -wave channel without breaking time-reversal symmetry.
Equation satisfied by electron-electron mutual Coulomb repulsion energy density functional
Joubert, Daniel P.
2011-01-01
The electron-electron mutual Coulomb repulsion energy density functional satisfies an equation that links functionals and functional derivatives at N-electron and (N-1)-electron densities for densities determined from the same adiabatic scaled external potential for the N-electron system.
Ihlenborg, Marvin; Schuster, Ann-Kathrin; Grotemeyer, Juergen; Gunzer, Frank
2018-01-01
Using lasers in ion mobility spectrometry offers a lot of advantages compared to standard ionization sources. Especially, the ion yield can be drastically increased. It can, however, reach levels where the Coulomb repulsion leads to unwanted side effects. Here, we investigate how the Coulomb repulsion can be detected apart from the typical signal broadening by measuring effects created already in the reaction region and comparing them with corresponding finite element method simulations.
Effect of long-range repulsive Coulomb interactions on packing structure of adhesive particles.
Chen, Sheng; Li, Shuiqing; Liu, Wenwei; Makse, Hernán A
2016-02-14
The packing of charged micron-sized particles is investigated using discrete element simulations based on adhesive contact dynamic model. The formation process and the final obtained structures of ballistic packings are studied to show the effect of interparticle Coulomb force. It is found that increasing the charge on particles causes a remarkable decrease of the packing volume fraction ϕ and the average coordination number 〈Z〉, indicating a looser and chainlike structure. Force-scaling analysis shows that the long-range Coulomb interaction changes packing structures through its influence on particle inertia before they are bonded into the force networks. Once contact networks are formed, the expansion effect caused by repulsive Coulomb forces are dominated by short-range adhesion. Based on abundant results from simulations, a dimensionless adhesion parameter Ad*, which combines the effects of the particle inertia, the short-range adhesion and the long-range Coulomb interaction, is proposed and successfully scales the packing results for micron-sized particles within the latest derived adhesive loose packing (ALP) regime. The structural properties of our packings follow well the recent theoretical prediction which is described by an ensemble approach based on a coarse-grained volume function, indicating some kind of universality in the low packing density regime of the phase diagram regardless of adhesion or particle charge. Based on the comprehensive consideration of the complicated inter-particle interactions, our findings provide insight into the roles of short-range adhesion and repulsive Coulomb force during packing formation and should be useful for further design of packings.
Thermal algebraic-decay charge liquid driven by competing short-range Coulomb repulsion
Kaneko, Ryui; Nonomura, Yoshihiko; Kohno, Masanori
2018-05-01
We explore the possibility of a Berezinskii-Kosterlitz-Thouless-like critical phase for the charge degrees of freedom in the intermediate-temperature regime between the charge-ordered and disordered phases in two-dimensional systems with competing short-range Coulomb repulsion. As the simplest example, we investigate the extended Hubbard model with on-site and nearest-neighbor Coulomb interactions on a triangular lattice at half filling in the atomic limit by using a classical Monte Carlo method, and find a critical phase, characterized by algebraic decay of the charge correlation function, belonging to the universality class of the two-dimensional XY model with a Z6 anisotropy. Based on the results, we discuss possible conditions for the critical phase in materials.
International Nuclear Information System (INIS)
Tsui, H.H.Y.
2001-01-01
Model intermolecular potentials are required for simulations of molecules in the gas, liquid, or solid phase. The widely used isotropic atom-atom model potentials are empirically fitted and based on the assumptions of transferability, combining rules and that atoms in molecules are spherical. This thesis develops a non-empirical method of modelling repulsion by applying the overlap model, which we show as a general non-empirical method of deriving repulsion potentials for a specific molecule. In this thesis, the repulsion parameters for an exponential atom-atom model potential are obtained from the ab initio charge density of a small organic molecule by making the assumption that the repulsion is proportional to the overlap of a pair of molecules. The proportionality constant is fixed by a limited number of intermolecular perturbation theory (IMPT) calculations. To complete the model potential, the electrostatic interaction is represented by a distributed multipole analysis, and the Slater-Kirkwood formula is used for the dispersion. These non-empirical potentials can reproduce experimental crystal structure when applied to crystal structure prediction of an oxyboryl derivative. A detailed study on further improving the overlap model was carried out for phenol-water, by including other minor intermolecular contributions of charge-transfer and penetration. High quality ab initio calculations on the complex were performed for use in comparison. To compare with experimental data, diffusion Monte Carlo simulations were performed with the potential, so that the effects of anharmonic zero-point motion on structure and energy of the system are included. When the system is too large for an IMPT calculation, the proportionality constant can be determined empirically by fitting the cell volume as shown in our study of crystal structures of chlorothalonil. This is used with an anisotropic repulsion model that has been derived for Cl and N atoms in chlorothalonil. This model
Miura, Kaoru; Azuma, Masaki; Funakubo, Hiroshi
2011-01-17
We have investigated the role of the Ti-O Coulomb repulsions in the appearance of the ferroelectric state in BaTiO3 as well as the role of the Zn-O Coulomb repulsions in BiZn0.5Ti0.5O3, using a first-principles calculation with optimized structures. In tetragonal BaTiO3, it is found that the Coulomb repulsions between Ti 3s and 3p states and O 2s and 2p states have an important role for the appearance of Ti ion displacement. In BiZn0.5Ti0.5O3, on the other hand, the stronger Zn-O Coulomb repulsions, which are due to the 3s, 3p, and 3d (d10) states of the Zn ion, have more important role than the Ti-O Coulomb repulsions for the appearance of the tetragonal structure. Our suggestion is consistent with the other ferroelectric perovskite oxides ABO3 in the appearance of tetragonal structures as well as rhombohedral structures.
Coulomb Repulsion Effect in Two-electron Non-adiabatic Tunneling through a One-level redox Molecule
DEFF Research Database (Denmark)
Medvedev, Igor M.; Kuznetsov, Alexander M.; Ulstrup, Jens
2009-01-01
We investigated Coulomb repulsion effects in nonadiabatic (diabatic) two-electron tunneling through a redox molecule with a single electronic level in a symmetric electrochemical contact under ambient conditions, i.e., room temperature and condensed matter environment. The electrochemical contact...
Energy Technology Data Exchange (ETDEWEB)
Ogloblya, O.V., E-mail: olexandr.ogloblya@gmail.com [Taras Shevchenko National University, 64/13 Volodymyrska St., Kyiv 01601 (Ukraine); Kuznietsova, H.M. [Taras Shevchenko National University, 64/13 Volodymyrska St., Kyiv 01601 (Ukraine); Strzhemechny, Y.M. [Dept. of Physics and Astronomy, Texas Christian University, Fort Worth, TX 76129 (United States)
2017-01-01
We performed numerical studies for the conductance of a heterojunction carbon nanotube quantum dot (QD) with an extra spin orbital quantum number and a conventional QD in which the electron state is determined only by the spin quantum number. Our computational approach took into account the spin-orbit interaction and the Coulomb repulsion both between electrons on a QD as well as between the QD electron and the contacts. We utilized an approach based on the Keldysh non-equilibrium Green's function formalism as well as the equation of motion technique. We focused on the case of a finite Coulombic on-site repulsion and considered two possible cases of applied voltage: spin bias and conventional bias. For the system of interest we obtained bias spectroscopy diagrams, i.e. contour charts showing dependence of conductivity on two variables - voltage and the energy level position in a QD - which can be controlled by the plunger gate voltage. The finite Coulombic repulsion splits the density of states into two distinct maxima with the energy separation between them controlled by that parameter. It was also shown that an increase of either the value of the on-site Coulomb repulsion in a QD or the parameter of the Coulomb repulsion between the electrons in the QD and the contacts leads to an overall shift of the density of electronic states dependence toward higher energy values. Presence of the QD-lead interaction yields formation of a new pair of peaks in the differential conductance dependence. We also show that existence of four quantum states in a QD leads to abrupt changes in the density of states. These results could be beneficial for potential applications in nanotube-based amperometric sensors.
Negative-mass mitigation of Coulomb repulsion for terahertz undulator radiation of electron bunches
Energy Technology Data Exchange (ETDEWEB)
Balal, N.; Magory, E. [Ariel University, Ariel 40700 (Israel); Bandurkin, I. V. [Institute of Applied Physics, Russian Academy of Sciences, 46 Ulyanov St., Nizhny Novgorod 603950 (Russian Federation); Bratman, V. L. [Ariel University, Ariel 40700 (Israel); Institute of Applied Physics, Russian Academy of Sciences, 46 Ulyanov St., Nizhny Novgorod 603950 (Russian Federation); Savilov, A. V. [Institute of Applied Physics, Russian Academy of Sciences, 46 Ulyanov St., Nizhny Novgorod 603950 (Russian Federation); Lobachevsky State University of Nizhny Novgorod, 23 Gagarin Avenue, Nizhny Novgorod 603950 (Russian Federation)
2015-10-19
It is proposed to utilize the effect of negative mass for stabilization of the effective axial size of very dense and short electron bunches produced by photo-injector guns by using combined undulator and strong uniform magnetic fields. It has been shown that in the “abnormal” regime, an increase in the electron energy leads to a decrease in the axial velocity of the electron; due to the negative-mass effect, the Coulomb repulsion of electrons leads to their attraction and formation of a fairly stable and compact bunch “nucleus.” An undulator with a strong uniform magnetic field providing the negative-mass effect is designed for an experimental source of terahertz radiation. The use of the negative-mass regime in this experiment should result in a long-pulse coherent spontaneous undulator emission from a short dense moderately relativistic (5.5 MeV) photo-injector electron bunch with a high (up to 20%) efficiency and a narrow frequency spectrum.
Val'kov, V. V.; Dzebisashvili, D. M.; Korovushkin, M. M.; Barabanov, A. F.
2018-06-01
Taking into account the real crystalline structure of the CuO_2 plane and the strong spin-fermion coupling, we study the influence of the intersite Coulomb repulsion between holes on the Cooper instability of the spin-polaron quasiparticles in cuprate superconductors. The analysis shows that only the superconducting d-wave pairing is implemented in the whole region of doping, whereas the solutions of the self-consistent equations for the s-wave pairing are absent. It is shown that intersite Coulomb interaction V_1 between the holes located at the nearest oxygen ions does not affect the d-wave pairing, because its Fourier transform V_q vanishes in the kernel of the corresponding integral equation. The intersite Coulomb interaction V_2 of quasiparticles located at the next-nearest oxygen ions does not vanish in the integral equations, however, but it is also shown that the d-wave pairing is robust toward this interaction for physically reasonable values of V_2.
Ren, Ji-Chang; Wang, Zhigang; Zhang, Rui-Qin; Ding, Zejun; Van Hove, Michel A
2015-11-11
It is well known that the effect of Coulomb on-site repulsion can significantly alter the physical properties of the systems that contain localized d and/or f electrons. However, little attention has been paid to the Coulomb on-site repulsion between localized p electrons. In this study, we demonstrated that Coulomb on-site repulsion between localized pz electrons also plays an important role in graphene embedded with line defects. It is shown that the magnetism of the system largely depends on the choice of the effective Coulomb on-site parameter Ueff. Ueff at the edges of the defect enhances the exchange splitting, which increases the magnetic moment and stabilizes a ferromagnetic state of the system. In contrast, Ueff at the center of the defect weakens the spin polarization of the system. The behavior of the magnetism is explained with the Stoner criterion and the charge accumulation at the edges of the defect. Based on the linear response approach, we estimate reasonable values of Ueff to be 2.55 eV (2.3 eV) at the center (edges) of the defects. More importantly, using a DFT+U+J method, we find that exchange interactions between localized p electrons also play an important role in the spin polarization of the system. These results imply that Coulomb on-site repulsion is necessary to describe the strong interaction between localized pz electrons of carbon related materials.
Itoh, Satoru G; Okumura, Hisashi
2013-03-30
We propose a new type of the Hamiltonian replica-exchange method (REM) for molecular dynamics (MD) and Monte Carlo simulations, which we refer to as the Coulomb REM (CREM). In this method, electrostatic charge parameters in the Coulomb interactions are exchanged among replicas while temperatures are exchanged in the usual REM. By varying the atom charges, the CREM overcomes free-energy barriers and realizes more efficient sampling in the conformational space than the REM. Furthermore, this method requires only a smaller number of replicas because only the atom charges of solute molecules are used as exchanged parameters. We performed Coulomb replica-exchange MD simulations of an alanine dipeptide in explicit water solvent and compared the results with those of the conventional canonical, replica exchange, and van der Waals REMs. Two force fields of AMBER parm99 and AMBER parm99SB were used. As a result, the CREM sampled all local-minimum free-energy states more frequently than the other methods for both force fields. Moreover, the Coulomb, van der Waals, and usual REMs were applied to a fragment of an amyloid-β peptide (Aβ) in explicit water solvent to compare the sampling efficiency of these methods for a larger system. The CREM sampled structures of the Aβ fragment more efficiently than the other methods. We obtained β-helix, α-helix, 3(10)-helix, β-hairpin, and β-sheet structures as stable structures and deduced pathways of conformational transitions among these structures from a free-energy landscape. Copyright © 2012 Wiley Periodicals, Inc.
Liu, Xiaosong; Wang, Yung Jui; Barbiellini, Bernardo; Hafiz, Hasnain; Basak, Susmita; Liu, Jun; Richardson, Thomas; Shu, Guojiun; Chou, Fangcheng; Weng, Tsu-Chien; Nordlund, Dennis; Sokaras, Dimosthenis; Moritz, Brian; Devereaux, Thomas P; Qiao, Ruimin; Chuang, Yi-De; Bansil, Arun; Hussain, Zahid; Yang, Wanli
2015-10-21
LiFePO4 is a battery cathode material with high safety standards due to its unique electronic structure. We performed systematic experimental and theoretical studies based on soft X-ray emission, absorption, and hard X-ray Raman spectroscopy of LixFePO4 nanoparticles and single crystals. The results clearly show a non-rigid electron-state reconfiguration of both the occupied and unoccupied Fe-3d and O-2p states during the (de)lithiation process. We focus on the energy configurations of the occupied states of LiFePO4 and the unoccupied states of FePO4, which are the critical states where electrons are removed and injected during the charge and discharge process, respectively. In LiFePO4, the soft X-ray emission spectroscopy shows that, due to the Coulomb repulsion effect, the occupied Fe-3d states with the minority spin sit close to the Fermi level. In FePO4, the soft X-ray absorption and hard X-ray Raman spectroscopy show that the unoccupied Fe-3d states again sit close to the Fermi level. These critical 3d electron state configurations are consistent with the calculations based on modified Becke and Johnson potentials GGA+U (MBJGGA+U) framework, which improves the overall lineshape prediction compared with the conventionally used GGA+U method. The combined experimental and theoretical studies show that the non-rigid electron state reshuffling guarantees the stability of oxygen during the redox reaction throughout the charge and discharge process of LiFePO4 electrodes, leading to the intrinsic safe performance of the electrodes.
Li, Zheng-Yao; Wang, Huibo; Yang, Wenyun; Yang, Jinbo; Zheng, Lirong; Chen, Dongfeng; Sun, Kai; Han, Songbai; Liu, Xiangfeng
2018-01-17
Exploiting advanced layered transition metal oxide cathode materials is of great importance to rechargeable sodium batteries. Layered oxides are composed of negatively charged TMO 2 slabs (TM = transition metal) separated by Na + diffusion layers. Herein, we propose a novel insight, for the first time, to control the electrochemical properties by tuning Coulombic repulsion between negatively charged TMO 2 slabs. Coulombic repulsion can finely tailor the d-spacing of Na ion layers and material structural stability, which can be achieved by employing Na + cations to serve as effective shielding layers between TMO 2 layers. A series of O3-type Na x Mn 1/3 Fe 1/3 Cu 1/6 Mg 1/6 O 2 (x = 1.0, 0.9, 0.8, and 0.7) have been prepared, and Na 0.7 Mn 1/3 Fe 1/3 Cu 1/6 Mg 1/6 O 2 shows the largest Coulombic repulsion between TMO 2 layers, the largest space for Na ion diffusion, the best structural stability, and also the longest Na-O chemical bond with weaker Coulombic attraction, thus leading to the best electrochemical performance. Meanwhile, the thermal stability depends on the Na concentration in pristine materials. Ex situ X-ray absorption (XAS) analysis indicates that Mn, Fe, and Cu ions are all electrochemically active components during insertion and extraction of sodium ion. This study enables some new insights to promote the development of advanced layered Na x TMO 2 materials for rechargeable sodium batteries in the future.
Energy Technology Data Exchange (ETDEWEB)
Horn, Paul R., E-mail: prhorn@berkeley.edu; Mao, Yuezhi; Head-Gordon, Martin, E-mail: mhg@cchem.berkeley.edu [Kenneth S. Pitzer Center for Theoretical Chemistry, Department of Chemistry, University of California, Berkeley, California 94720, USA and Chemical Sciences Division Lawrence Berkeley National Laboratory Berkeley, California 94720 (United States)
2016-03-21
In energy decomposition analysis of Kohn-Sham density functional theory calculations, the so-called frozen (or pre-polarization) interaction energy contains contributions from permanent electrostatics, dispersion, and Pauli repulsion. The standard classical approach to separate them suffers from several well-known limitations. We introduce an alternative scheme that employs valid antisymmetric electronic wavefunctions throughout and is based on the identification of individual fragment contributions to the initial supersystem wavefunction as determined by an energetic optimality criterion. The density deformations identified with individual fragments upon formation of the initial supersystem wavefunction are analyzed along with the distance dependence of the new and classical terms for test cases that include the neon dimer, ammonia borane, water-Na{sup +}, water-Cl{sup −}, and the naphthalene dimer.
International Nuclear Information System (INIS)
Magno, C.; Milazzo, M.; Pizzi, C.; Porro, F.; Rota, A.; Riccobono, G.
1979-01-01
A critical survey has been made of the currently accepted BEA theory for inner-shell atomic-ionization processes. This review has led to the introduction of an effective ion energy which accounts for the slowing-down of the ion in the nuclear Coulomb field. The effect of the ion deflection, also due to the nuclear Coulomb field, is analyzed. Relativistic effects in the collision of ions with K-shell electrons have been taken into account. A tentative qualitative explanation for the experimentally observed nonexistence of a threshold energy for ionization is given in the framework of the BEA theory. Ionization cross-sections for Rb, Sr, Zr, Cd, In, Sb, W by protons in the energy range from 500 keV to 3 MeV have been measured. Also measurements of ionization cross-sections by deuterons in the energy range from 800 keV to 2.6 MeV on Rb, Sr, Zr, Cd, Sb and by He ions in the energy range from 1.4 MeV to 2.8 MeV on Cd and Sb have been performed. Results are compared with those of other authors and in the context of the corrections introduced in the BEA theory. (author)
Directory of Open Access Journals (Sweden)
Muhammady Shibghatullah
2018-03-01
Full Text Available We report structural, electronic, and magnetic properties of SrCoO3 in Pm3̅m and P4/mbm space groups, which are calculated by using generalized gradient approximation corrected with on-site Coulomb repulsion U and exchange energies J. The cubic lattice parameter a and local magnetic moments of Co (μCo are optimized by varying U at Co 3d site. Employing ultrasoft pseudopotential, the values of U = 8 eV and J = 0.75 eV are the best choice for Pm3̅m space group. We found the value of μCo = 2.56 μB, which is consistent with the previous results. It was also found that Co 3d, hybridized with O 2p, is the main contributor to ferromagnetic metallic properties. Besides, norm-conserving pseudopotential promotes a, which is in good agreement with experimental result. However, it is not suitable for P4/mbm space group. By using ultrasoft pseudopotential, the value of U = 3 eV (J = 0.75 is the most suitable for P4/mbm group. Ferromagnetic metallic properties, Jahn-Teller distortion, and reasonable lattice parameters have been obtained. This study shows that U has significant contribution to the calculated properties and also points out that P4/mbm space group with US-PP is suitable to describe experimental results.
International Nuclear Information System (INIS)
Kaplan, I.G.; Rodimova, O.B.; AN SSSR, Tomsk. Inst. Optiki Atmosfery)
1978-01-01
The present state of the intermolecular interaction theory is described. The general physical picture of the molecular interactions is given, the relative contributions of interactions of different types are analyzed (electrostatic, resonance, induction, dispersion, relativistic, magnetostatic and exchange), and the main ones in each range of separations are picked out. The methods of the potential curve calculations are considered, specific for definite separations between the interacting systems. The special attention is paid to the analysis of approximations used in different theoretical calculation methods
Energy Technology Data Exchange (ETDEWEB)
Chavda, Bhavin R., E-mail: chavdabhavin9@gmail.com; Dubey, Rahul P.; Patel, Urmila H. [Department of Physics, Sardar Patel University, Vallabh Vidyanagar-388120, Gujarat (India); Gandhi, Sahaj A. [Bhavan’s Shri I.L. Pandya Arts-Science and Smt. J.M. shah Commerce College, Dakar, Anand -388001, Gujarat, Indian (India); Barot, Vijay M. [P. G. Center in Chemistry, Smt. S. M. Panchal Science College, Talod, Gujarat 383 215 (India)
2016-05-06
The novel chalcone derivatives have widespread applications in material science and medicinal industries. The density functional theory (DFT) is used to optimized the molecular structure of the three chalcone derivatives (M-I, II, III). The observed discrepancies between the theoretical and experimental (X-ray data) results attributed to different environments of the molecules, the experimental values are of the molecule in solid state there by subjected to the intermolecular forces, like non-bonded hydrogen bond interactions, where as isolated state in gas phase for theoretical studies. The lattice energy of all the molecules have been calculated using PIXELC module in Coulomb –London –Pauli (CLP) package and is partitioned into corresponding coulombic, polarization, dispersion and repulsion contributions. Lattice energy data confirm and strengthen the finding of the X-ray results that the weak but significant intermolecular interactions like C-H…O, Π- Π and C-H… Π plays an important role in the stabilization of crystal packing.
Intersite Coulomb interaction and Heisenberg exchange
Eder, R; van den Brink, J.; Sawatzky, G.A
1996-01-01
Based on exact diagonalization results for small clusters we discuss the effect of intersite Coulomb repulsion in Mott-Hubbard or charge transfers insulators. Whereas the exchange constant J for direct exchange is enhanced by intersite Coulomb interaction, that for superexchange is suppressed. The
International Nuclear Information System (INIS)
Gelbart, W.M.
1980-01-01
In this article some of the theoretical background is presented for the following papers on 'Intermolecular Spectroscopy and Dynamical Properties of Dense Systems'. In Section 1 we outline a simple semi-classical description of the interaction between optical radiation and matter. The motion of a many-body polarizability is introduced; limiting forms of this complicated quantity lead to the familiar cases of light scattering spectra. In Section 2 we consider the linear response approximation, and the equation of motion for the many-body density matrix is solved to first order in the matter-radiation interaction. The often quoted fluctuation-dissipation theorem and the time-dependent, equilibrium correlation functions are discussed. Section 3 treats the problem of the local field. In Section 4 we consider the special case of collision-induced light scattering by atomic fluids in the low-density limit. This allows us to focus on determining the interaction polarizability for simple gases. Finally, in Section 5 we distinguish between collision-induced and multiple light scattering, and discuss the double-light-scattering analyses which provide new information about critical and thermodynamically unstable fluids. (KBE)
International Nuclear Information System (INIS)
McGowan, F.K.; Stelson, P.H.
1974-01-01
The theory of Coulomb excitation and a brief review of pertinent treatments of the Coulomb excitation process that are useful for the analysis of experiments are given. Examples demonstrating the scope of nuclear structure information obtainable from gamma spectroscopy are presented. Direct Elambda excitation of 232 Th is discussed in terms of the one phonon octupole vibrational spectrum. B(MI) reduced transition probabilities resulting from Coulomb excitation of odd-A deformed nuclei with heavy ions are presented as a test of the rotational model. The use of gamma ray coincidence and particle-gamma coincidence as tools for investigating Coulomb excitation is discussed. (U.S.)
Harris, Christopher; Stace, Anthony J
2018-03-15
A series of experiments have been undertaken on the fragmentation of multiply charged ammonia clusters, (NH 3 ) n z+ , where z ≤ 8 and n ≤ 850, to establish Rayleigh instability limits, whereby clusters at certain critical sizes become unstable due to Coulomb repulsion between the resident charges. Experimental results on size-selected clusters are found to be in excellent agreement with theoretical predictions of Rayleigh instability limits at all values of the charge. Electrostatic theory has been used to help identify fragmentation patterns on the assumption that the clusters separate into two dielectric spheres, and the predicted Coulomb repulsion energies used to establish pathways and the sizes of cluster fragments. The results show that fragmentation is very asymmetric in terms of both the numbers of molecules involved and the amount of charge each fragment accommodates. For clusters carrying a charge ≤+4, the results show that fragmentation proceeds via the loss of small, singly charged clusters. When clusters carry a charge of +5 or more, the experimental observations suggest a marked switch in behavior. Although the laboratory measurements equate to fragmentation via the loss of a large dication cluster, electrostatic theory supports an interpretation that involves the sequential loss of two smaller, singly charged clusters possibly accompanied by the extensive evaporation of neutral molecules. It is suggested that this change in fragmentation pattern is driven by the channelling of Coulomb repulsion energy into intermolecular modes within these larger clusters. Overall, the results appear to support the ion evaporation model that is frequently used to interpret electrospray experiments.
Charged singularities: repulsive effects
Energy Technology Data Exchange (ETDEWEB)
De Felice, F; Nobili, L [Padua Univ. (Italy). Ist. di Fisica; Calvani, M [Padua Univ. (Italy). Ist. di Astronomia
1980-07-01
The repulsive phenomena which a particle experiences in the vicinity of a naked singularity are investigated in the Kerr-Newman space-time. The aim is to extend the knowledge of this fact to charged solutions and to have a direct indication of how, in these situations, the gravitational and electrostatic interactions are competing.
Intergrain Coupling in Dusty-Plasma Coulomb Crystals
International Nuclear Information System (INIS)
Mohideen, U.; Smith, M.A.; Rahman, H.U.; Rosenberg, M.; Mendis, D.A.
1998-01-01
We have studied the lattice structure of dusty-plasma Coulomb crystals formed in rectangular conductive grooves as a function of plasma temperature and density. The crystal appears to be made of mutually repulsive columns of grains confined by the walls of the groove. The columns are oriented along the direction of the electrode sheath electric field. A simple phenomenological model wherein the intergrain spacing results from an attractive electric-field-induced dipole-dipole force balanced by a repulsive monopole Coulomb force is consistent with observed features of the Coulomb crystal. copyright 1998 The American Physical Society
Intermolecular interactions in the condensed phase
DEFF Research Database (Denmark)
Christensen, Anders S.; Kromann, Jimmy Charnley; Jensen, Jan Halborg
2017-01-01
To facilitate further development of approximate quantum mechanical methods for condensed phase applications, we present a new benchmark dataset of intermolecular interaction energies in the solution phase for a set of 15 dimers, each containing one charged monomer. The reference interaction energy...... and solution phases. As most approximate QM methods are parametrized and evaluated using data measured or calculated in the gas phase, the dataset represents an important first step toward calibrating QM based methods for application in the condensed phase where polarization and exchange repulsion need...
Sutton, Christopher; Marshall, Michael S.; Sherrill, C. David; Risko, Chad; Bredas, Jean-Luc
2015-01-01
exchange-repulsion interactions among the phenyl side groups. Calculations based on available crystallographic structures reveal that planar conformations of the tetracene core in the solid state result from intermolecular interactions that can be tuned
Discrete repulsive oscillator wavefunctions
International Nuclear Information System (INIS)
Munoz, Carlos A; Rueda-Paz, Juvenal; Wolf, Kurt Bernardo
2009-01-01
For the study of infinite discrete systems on phase space, the three-dimensional Lorentz algebra and group, so(2,1) and SO(2,1), provide a discrete model of the repulsive oscillator. Its eigenfunctions are found in the principal irreducible representation series, where the compact generator-that we identify with the position operator-has the infinite discrete spectrum of the integers Z, while the spectrum of energies is a double continuum. The right- and left-moving wavefunctions are given by hypergeometric functions that form a Dirac basis for l 2 (Z). Under contraction, the discrete system limits to the well-known quantum repulsive oscillator. Numerical computations of finite approximations raise further questions on the use of Dirac bases for infinite discrete systems.
Fay, Temple H.
2012-01-01
Viscous damping is commonly discussed in beginning differential equations and physics texts but dry friction or Coulomb friction is not despite dry friction being encountered in many physical applications. One reason for avoiding this topic is that the equations involve a jump discontinuity in the damping term. In this article, we adopt an energy…
Coulomb-Driven Relativistic Electron Beam Compression
Lu, Chao; Jiang, Tao; Liu, Shengguang; Wang, Rui; Zhao, Lingrong; Zhu, Pengfei; Xiang, Dao; Zhang, Jie
2018-01-01
Coulomb interaction between charged particles is a well-known phenomenon in many areas of research. In general, the Coulomb repulsion force broadens the pulse width of an electron bunch and limits the temporal resolution of many scientific facilities such as ultrafast electron diffraction and x-ray free-electron lasers. Here we demonstrate a scheme that actually makes use of the Coulomb force to compress a relativistic electron beam. Furthermore, we show that the Coulomb-driven bunch compression process does not introduce additional timing jitter, which is in sharp contrast to the conventional radio-frequency buncher technique. Our work not only leads to enhanced temporal resolution in electron-beam-based ultrafast instruments that may provide new opportunities in probing material systems far from equilibrium, but also opens a promising direction for advanced beam manipulation through self-field interactions.
Coulomb-Driven Relativistic Electron Beam Compression.
Lu, Chao; Jiang, Tao; Liu, Shengguang; Wang, Rui; Zhao, Lingrong; Zhu, Pengfei; Xiang, Dao; Zhang, Jie
2018-01-26
Coulomb interaction between charged particles is a well-known phenomenon in many areas of research. In general, the Coulomb repulsion force broadens the pulse width of an electron bunch and limits the temporal resolution of many scientific facilities such as ultrafast electron diffraction and x-ray free-electron lasers. Here we demonstrate a scheme that actually makes use of the Coulomb force to compress a relativistic electron beam. Furthermore, we show that the Coulomb-driven bunch compression process does not introduce additional timing jitter, which is in sharp contrast to the conventional radio-frequency buncher technique. Our work not only leads to enhanced temporal resolution in electron-beam-based ultrafast instruments that may provide new opportunities in probing material systems far from equilibrium, but also opens a promising direction for advanced beam manipulation through self-field interactions.
Holographic repulsion and confinement in gauge theory
Husain, Viqar; Kothawala, Dawood
2013-02-01
We show that for asymptotically anti-de Sitter (AdS) backgrounds with negative energy, such as the AdS soliton and regulated negative-mass AdS-Schwarzshild metrics, the Wilson loop expectation value in the AdS/CFT conjecture exhibits a Coulomb to confinement transition. We also show that the quark-antiquark (q \\bar{q}) potential can be interpreted as affine time along null geodesics on the minimal string worldsheet and that its intrinsic curvature provides a signature of transition to confinement phase. Our results suggest a generic (holographic) relationship between confinement in gauge theory and repulsive gravity, which in turn is connected with singularity avoidance in quantum gravity. Communicated by P R L V Moniz
Intermolecular and surface forces
Israelachvili, Jacob N
2011-01-01
This reference describes the role of various intermolecular and interparticle forces in determining the properties of simple systems such as gases, liquids and solids, with a special focus on more complex colloidal, polymeric and biological systems. The book provides a thorough foundation in theories and concepts of intermolecular forces, allowing researchers and students to recognize which forces are important in any particular system, as well as how to control these forces. This third edition is expanded into three sections and contains five new chapters over the previous edition.· starts fr
Crossover from phonon-mediated to repulsion-induced superconducting pairing with large momentum
International Nuclear Information System (INIS)
Belyavsky, V.I.; Kopaev, Yu.V.; Nguyen, N.T.; Togushova, Yu.N.
2005-01-01
There are asymmetric and symmetric solutions of the self-consistency equation which takes into account both phonon-mediated and Coulomb pairing interactions. The first of them leads to the order parameter with a nodal line and, in the case of pairing with large momentum, exists at any repulsive and attractive strengths. The second one arises if the attraction exceeds a level depending on the repulsion strength and dominates the pairing in the strong attraction limit. The competition of attraction and repulsion results in unusual isotope-effect exponent observed in the cuprates
Coulomb Sturmians as a basis for molecular calculations
DEFF Research Database (Denmark)
Avery, John Scales; Avery, James Emil
2012-01-01
mathematical difficulty of evaluating interelectron repulsion integrals when exponential-type orbitals (ETOs) are used. In this paper we show that when many-centre Coulomb Sturmian ETOs are used as a basis, the most important integrals can be evaluated rapidly and accurately by means of the theory...... of hyperspherical harmonics. For the remaining many-centre integrals, Coulomb Sturmians are shown to have advantages over other ETOs. Pilot calculations are performed on N-electron molecules using the Generalized Sturmian Method....
Coulomb states in atoms and solids
International Nuclear Information System (INIS)
Ortalano, D.M.
1988-05-01
In this dissertation, an empirical quantum defect approach to describe the valence excitons of the rare gas solids is developed. These Coulomb states are of s-symmetry and form a hydrogen-like series which converges to the bottom of the lowest conduction band. A non-zero quantum defect is found for all of the excitons of neon, argon and xenon. For these systems, then, there exists, in addition to the screened Coulombic component, a non-Coulombic component to the total exciton binding energy. The Wannier formalism is, therefore, inappropriate for the excitons of Ne, Ar and Xe. From the sign of the quantum defect, the non-Coulombic potential is repulsive for Ne and Ar, attractive for Xe, and nearly zero for Kr. This is opposite to that for the Rydberg states of the corresponding rare gas atoms, where the non-Coulombic potential between the electron and the cation is attractive for all of the atoms. The excitons then, are not simply perturbed Rydberg states of the corresponding rare gas atoms (i.e., the excitons do not possess atomic parentage). Interatomic term value/band gap energy correlations and reduced term value/reduced band gap correlations were performed. These correlations were exploited to provide further evidence against both the Wannier formalism and the atomic parentage view point. From these correlations, it was also discovered that the non-Coulombic potential varies smoothly across the valence isoelectronic series of solids, and that it becomes more attractive (or less repulsive) in going from neon to xenon. In order to address the atomic parentage controversy, it was necessary to compare the excitons to the low-n Rydberg states of the rare gas atoms. A review of the quantum defect description of the atomic Rydberg states is, therefore, presented. Also, Rydberg term value/ionization energy correlations are discussed and compared with the analogous exciton correlations. 7 refs., 10 figs., 5 tabs
DEFF Research Database (Denmark)
Hansen, Flemming Yssing; Alldredge, G. P.; Bruch, L. W.
1985-01-01
and gives a repulsive rather than an attractive electrostatic interaction at typical intermolecular distances. In the local multipole model, the atom-site dipoles give the largest contribution to both the molecular quadrupole moment and the intermolecular interaction. The Journal of Chemical Physics...
Repulsion-based model for contact angle saturation in electrowetting.
Ali, Hassan Abdelmoumen Abdellah; Mohamed, Hany Ahmed; Abdelgawad, Mohamed
2015-01-01
We introduce a new model for contact angle saturation phenomenon in electrowetting on dielectric systems. This new model attributes contact angle saturation to repulsion between trapped charges on the cap and base surfaces of the droplet in the vicinity of the three-phase contact line, which prevents these surfaces from converging during contact angle reduction. This repulsion-based saturation is similar to repulsion between charges accumulated on the surfaces of conducting droplets which causes the well known Coulombic fission and Taylor cone formation phenomena. In our model, both the droplet and dielectric coating were treated as lossy dielectric media (i.e., having finite electrical conductivities and permittivities) contrary to the more common assumption of a perfectly conducting droplet and perfectly insulating dielectric. We used theoretical analysis and numerical simulations to find actual charge distribution on droplet surface, calculate repulsion energy, and minimize energy of the total system as a function of droplet contact angle. Resulting saturation curves were in good agreement with previously reported experimental results. We used this proposed model to predict effect of changing liquid properties, such as electrical conductivity, and system parameters, such as thickness of the dielectric layer, on the saturation angle, which also matched experimental results.
One-loop quantum gravity repulsion in the early Universe.
Broda, Bogusław
2011-03-11
Perturbative quantum gravity formalism is applied to compute the lowest order corrections to the classical spatially flat cosmological Friedmann-Lemaître-Robertson-Walker solution (for the radiation). The presented approach is analogous to the approach applied to compute quantum corrections to the Coulomb potential in electrodynamics, or rather to the approach applied to compute quantum corrections to the Schwarzschild solution in gravity. In the framework of the standard perturbative quantum gravity, it is shown that the corrections to the classical deceleration, coming from the one-loop graviton vacuum polarization (self-energy), have (UV cutoff free) opposite to the classical repulsive properties which are not negligible in the very early Universe. The repulsive "quantum forces" resemble those known from loop quantum cosmology.
Inter-grain coupling and grain charge in dusty plasma Coulomb crystals
International Nuclear Information System (INIS)
Smith, M. A.; Goodrich, J.; Mohideen, U.; Rahman, H. U.; Rosenberg, M.; Mendis, D. A.
1998-01-01
We have studied the lattice structure and grain charge of dusty plasma Coulomb crystals formed in rectangular conductive grooves as a function of plasma temperature and density. The crystal appears to be made of mutually repulsive columns of grains confined by the walls of the groove. The columns are oriented along the direction of the electrode sheath electric field. A simple phenomenological model wherein the inter-grain spacing results from an attractive electric field induced dipole-dipole force balanced by a repulsive monopole Coulomb force is consistent with observed features of the Coulomb crystal
Separable expansions for local potentials with Coulomb interactions
International Nuclear Information System (INIS)
Adhikari, S.K.
1976-01-01
If two particles are interacting via a short range potential and a repulsive Coulomb potential the t matrix can be written as a sum of the Coulomb and the ''nuclear'' t matrices. In order to solve the three-nucleon problem with Coulomb interactions usually we need a separable representation of this ''nuclear'' t matrix. A recently proposed method for finding a separable expansion for local potentials is here extended to find a rapidly convergent separable expansion, with analytic form factors, for the ''nuclear'' part of the t matrix of a local potential, in the presence of Coulomb interactions. The method is illustrated for a two-term Malfliet-Tjon potential. In each rank the ''nuclear'' phase shift is close to the corresponding phase shift when the Coulomb interaction is switched off
Desensitization of metastable intermolecular composites
Busse, James R [South Fork, CO; Dye, Robert C [Los Alamos, NM; Foley, Timothy J [Los Alamos, NM; Higa, Kelvin T [Ridgecrest, CA; Jorgensen, Betty S [Jemez Springs, NM; Sanders, Victor E [White Rock, NM; Son, Steven F [Los Alamos, NM
2011-04-26
A method to substantially desensitize a metastable intermolecular composite material to electrostatic discharge and friction comprising mixing the composite material with an organic diluent and removing enough organic diluent from the mixture to form a mixture with a substantially putty-like consistency, as well as a concomitant method of recovering the metastable intermolecular composite material.
Superconductivity in a Repulsive Model
DEFF Research Database (Denmark)
Feldman, Joel; Knoerrer, Horst; Sinclair, Robert
1997-01-01
A two-dimensional system of Fermions with classical dispersion relationand a purely repulsive delta function pair potential generates the dominant attractive coupling in the third order Bethe-Salpeter approximation for the Cooper channel. This suggests that the ground state is an l=1 superconductor....
Measured long-range repulsive Casimir–Lifshitz forces
Munday, J. N.; Capasso, Federico; Parsegian, V. Adrian
2014-01-01
Quantum fluctuations create intermolecular forces that pervade macroscopic bodies1–3. At molecular separations of a few nanometres or less, these interactions are the familiar van der Waals forces4. However, as recognized in the theories of Casimir, Polder and Lifshitz5–7, at larger distances and between macroscopic condensed media they reveal retardation effects associated with the finite speed of light. Although these long-range forces exist within all matter, only attractive interactions have so far been measured between material bodies8–11. Here we show experimentally that, in accord with theoretical prediction12, the sign of the force can be changed from attractive to repulsive by suitable choice of interacting materials immersed in a fluid. The measured repulsive interaction is found to be weaker than the attractive. However, in both cases the magnitude of the force increases with decreasing surface separation. Repulsive Casimir–Lifshitz forces could allow quantum levitation of objects in a fluid and lead to a new class of switchable nanoscale devices with ultra-low static friction13–15. PMID:19129843
Measured long-range repulsive Casimir-Lifshitz forces.
Munday, J N; Capasso, Federico; Parsegian, V Adrian
2009-01-08
Quantum fluctuations create intermolecular forces that pervade macroscopic bodies. At molecular separations of a few nanometres or less, these interactions are the familiar van der Waals forces. However, as recognized in the theories of Casimir, Polder and Lifshitz, at larger distances and between macroscopic condensed media they reveal retardation effects associated with the finite speed of light. Although these long-range forces exist within all matter, only attractive interactions have so far been measured between material bodies. Here we show experimentally that, in accord with theoretical prediction, the sign of the force can be changed from attractive to repulsive by suitable choice of interacting materials immersed in a fluid. The measured repulsive interaction is found to be weaker than the attractive. However, in both cases the magnitude of the force increases with decreasing surface separation. Repulsive Casimir-Lifshitz forces could allow quantum levitation of objects in a fluid and lead to a new class of switchable nanoscale devices with ultra-low static friction.
Religion, Repulsion, and Reaction Formation: Transforming Repellent Attractions and Repulsions.
Cohen, Dov; Kim, Emily; Hudson, Nathan W
2017-06-12
Protestants were more likely than non-Protestants to demonstrate phenomena consistent with the use of reaction formation. Lab experiments showed that when manipulations were designed to produce taboo attractions (to unconventional sexual practices), Protestants instead showed greater repulsion. When implicitly conditioned to produce taboo repulsions (to African Americans), Protestants instead showed greater attraction. Supportive evidence from other studies came from clinicians' judgments, defense mechanism inventories, and a survey of respondent attitudes. Other work showed that Protestants who diminished and displaced threatening affect were more likely to sublimate this affect into creative activities; the present work showed that Protestants who do not or cannot diminish or displace such threatening affect instead reverse it. Traditional individual difference variables showed little ability to predict reaction formation, suggesting that the observed processes go beyond what we normally study when we talk about self-control. (PsycINFO Database Record (c) 2017 APA, all rights reserved).
Ultracold fermions with repulsive interactions
Directory of Open Access Journals (Sweden)
Ketterle W.
2013-08-01
Full Text Available An ultracold Fermi gas with repulsive interaction has been studied. For weak interactions, the atomic gas is metastable, and the interactions were characterized by obtaining the isothermal compressibility from atomic density profiles. For stronger interactions (kFa ≈ 1, rapid conversion into Feshbach molecules is observed. When the conversion rate becomes comparable to the Fermi energy divided by η, the atomic gas cannot reach equilibrium without forming pairs. This precludes the predicted transition to a ferromagnetic state (Stoner transition. The absence of spin fluctuations proves that the gas stays paramagnetic. In free space, a Fermi gas with strong short-range repulsion does not exist because of the rapid coupling to molecular states.
Entropic Repulsion Between Fluctuating Surfaces
Janke, W.
The statistical mechanics of fluctuating surfaces plays an important role in a variety of physical systems, ranging from biological membranes to world sheets of strings in theories of fundamental interactions. In many applications it is a good approximation to assume that the surfaces possess no tension. Their statistical properties are then governed by curvature energies only, which allow for gigantic out-of-plane undulations. These fluctuations are the “entropic” origin of long-range repulsive forces in layered surface systems. Theoretical estimates of these forces for simple model surfaces are surveyed and compared with recent Monte Carlo simulations.
Pseudo-Coulomb potential in singlet superconductivity
International Nuclear Information System (INIS)
Daemen, L.L.; Overhauser, A.W.
1988-01-01
Reduction of the screened Coulomb potential parameter μ to μ/sup */ = μ/[1+μ ln(E/sub F//(h/2π)ω/sub D/)] is related to the pair correlation function at r = 0. This correlation function is calculated for both the simple Cooper-pair problem and standard Bardeen-Cooper-Schrieffer (BCS) theory by use of a two-square-well model (with λ and μ describing the attraction and repulsion). Results are compared with values obtained for a one-square-well model (having the suitable net attraction, e.g., λ-μ/sup */ in the BCS case). For the BCS case, the ''true'' pair correlation at r = 0 is reduced by a factor (μ/sup *//μ) 2 relative to the fictitious (one-square-well) value (even though Δ is the same for both models). The reduction factor is typically ≅(1/25. It follows that any short-range attractive contribution to superconducting pairing will suffer a reduction similar to that for the Coulomb repulsion
Noll, Ellis; Koehlinger, Mervin; Kowalski, Ludwik; Swackhamer, Gregg
1998-01-01
Describes the use of a computer-linked camera to demonstrate Coulomb's law. Suggests a way of reducing the difficulties in presenting Coulomb's law by teaching the inverse square law of gravity and the inverse square law of electricity in the same unit. (AIM)
Coulomb interaction rules timescales in potassium ion channel tunneling
De March, N.; Prado, S. D.; Brunnet, L. G.
2018-06-01
Assuming the selectivity filter of KcsA potassium ion channel may exhibit quantum coherence, we extend a previous model by Vaziri and Plenio (2010 New J. Phys. 12 085001) to take into account Coulomb repulsion between potassium ions. We show that typical ion transit timescales are determined by this interaction, which imposes optimal input/output parameter ranges. Also, as observed in other examples of quantum tunneling in biological systems, the addition of moderate noise helps coherent ion transport.
Diffusion in Coulomb crystals.
Hughto, J; Schneider, A S; Horowitz, C J; Berry, D K
2011-07-01
Diffusion in Coulomb crystals can be important for the structure of neutron star crusts. We determine diffusion constants D from molecular dynamics simulations. We find that D for Coulomb crystals with relatively soft-core 1/r interactions may be larger than D for Lennard-Jones or other solids with harder-core interactions. Diffusion, for simulations of nearly perfect body-centered-cubic lattices, involves the exchange of ions in ringlike configurations. Here ions "hop" in unison without the formation of long lived vacancies. Diffusion, for imperfect crystals, involves the motion of defects. Finally, we find that diffusion, for an amorphous system rapidly quenched from Coulomb parameter Γ=175 to Coulomb parameters up to Γ=1750, is fast enough that the system starts to crystalize during long simulation runs. These results strongly suggest that Coulomb solids in cold white dwarf stars, and the crust of neutron stars, will be crystalline and not amorphous.
Approximate Coulomb effects in the three-body scattering problem
International Nuclear Information System (INIS)
Haftel, M.I.; Zankel, H.
1981-01-01
From the momentum space Faddeev equations we derive approximate expressions which describe the Coulomb-nuclear interference in the three-body elastic scattering, rearrangement, and breakup problems and apply the formalism to p-d elastic scattering. The approximations treat the Coulomb interference as mainly a two-body effect, but we allow for the charge distribution of the deuteron in the p-d calculations. Real and imaginary parts of the Coulomb correction to the elastic scattering phase shifts are described in terms of on-shell quantities only. In the case of pure Coulomb breakup we recover the distorted-wave Born approximation result. Comparing the derived approximation with the full Faddeev p-d elastic scattering calculation, which includes the Coulomb force, we obtain good qualitative agreement in S and P waves, but disagreement in repulsive higher partial waves. The on-shell approximation investigated is found to be superior to other current approximations. The calculated differential cross sections at 10 MeV raise the question of whether there is a significant Coulomb-nuclear interference at backward angles
International Nuclear Information System (INIS)
Greensite, J.; Olejnik, S.
2003-01-01
We study the phase structure of SU(2) gauge theories at zero and high temperature, with and without scalar matter fields, in terms of the symmetric/broken realization of the remnant gauge symmetry which exists after fixing to Coulomb gauge. The symmetric realization is associated with a linearly rising color Coulomb potential (which we compute numerically), and is a necessary but not sufficient condition for confinement.
Repulsion between oppositely charged planar macroions.
Directory of Open Access Journals (Sweden)
YongSeok Jho
Full Text Available The repulsive interaction between oppositely charged macroions is investigated using Grand Canonical Monte Carlo simulations of an unrestricted primitive model, including the effect of inhomogeneous surface charge and its density, the depth of surface charge, the cation size, and the dielectric permittivity of solvent and macroions, and their contrast. The origin of the repulsion is a combination of osmotic pressure and ionic screening resulting from excess salt between the macroions. The excess charge over-reduces the electrostatic attraction between macroions and raises the entropic repulsion. The magnitude of the repulsion increases when the dielectric constant of the solvent is lowered (below that of water and/or the surface charge density is increased, in good agreement with experiment. Smaller size of surface charge and the cation, their discreteness and mobility are other factors that enhance the repulsion and charge inversion phenomenons.
Electronic transitions and intermolecular forces
International Nuclear Information System (INIS)
Hemert, M.C. van.
1981-01-01
This thesis describes two different subjects - electronic transitions and intermolecular forces - that are related mainly by the following observation: The wavenumber at which an electronic transition in an atom or molecule occurs, depends on the environment of that atom or molecule. This implies, for instance, that when a molecule becomes solvated its absorption spectrum may be shifted either to the blue or to the red side of the original gasphase spectrum. In part I attention is paid to the experimental aspects of VUV spectroscopy, both in the gasphase and in the condensed phase. In part II a series of papers are presented, dealing with the calculation of intermolecular forces (and some related topics) both for the ground state and for the excited state interactions, using different non-empirical methods. The calculations provide, among other results, a semiquantitative interpretation of the spectral blue shifts encountered in our experiments. (Auth.)
Testing intermolecular potential functions using transport property data
International Nuclear Information System (INIS)
Clifford, A.A.; Dickinson, E.; Gray, P.; Scott, A.C.
1975-01-01
The viscosity of hydrogen has been measured at eight temperatures from 273 to 1060K, using a capillary-flow viscometer. The results have been used to test the repulsive part of a recently formulated H 2 /H 2 intermolecular potential function, obtained from molecular-beam measurements. Agreement between the experimental and predicted values for viscosity is within 3.5%, which corresponds approximately to the combined quoted uncertainties in the two sets of data. However, if the value of the distance parameter of the potential is reduced by about 1.5%, the agreement obtained is within 0.75% over the whole temperature range. This modified potential function gives better agreement with the available higher temperature viscosities and second virial coefficients. (author)
Resonance tuning due to Coulomb interaction in strong near-field coupled metamaterials
International Nuclear Information System (INIS)
Roy Chowdhury, Dibakar; Xu, Ningning; Zhang, Weili; Singh, Ranjan
2015-01-01
Coulomb's law is one of the most fundamental laws of physics that describes the electrostatic interaction between two like or unlike point charges. Here, we experimentally observe a strong effect of Coulomb interaction in tightly coupled terahertz metamaterials where the split-ring resonator dimers in a unit cell are coupled through their near fields across the capacitive split gaps. Using a simple analytical model, we evaluated the Coulomb parameter that switched its sign from negative to positive values indicating the transition in the nature of Coulomb force from being repulsive to attractive depending upon the near field coupling between the split ring resonators. Apart from showing interesting effects in the strong coupling regime between meta-atoms, Coulomb interaction also allows an additional degree of freedom to achieve frequency tunable dynamic metamaterials
Coulomb Blockade Plasmonic Switch.
Xiang, Dao; Wu, Jian; Gordon, Reuven
2017-04-12
Tunnel resistance can be modulated with bias via the Coulomb blockade effect, which gives a highly nonlinear response current. Here we investigate the optical response of a metal-insulator-nanoparticle-insulator-metal structure and show switching of a plasmonic gap from insulator to conductor via Coulomb blockade. By introducing a sufficiently large charging energy in the tunnelling gap, the Coulomb blockade allows for a conductor (tunneling) to insulator (capacitor) transition. The tunnelling electrons can be delocalized over the nanocapacitor again when a high energy penalty is added with bias. We demonstrate that this has a huge impact on the plasmonic resonance of a 0.51 nm tunneling gap with ∼70% change in normalized optical loss. Because this structure has a tiny capacitance, there is potential to harness the effect for high-speed switching.
Attractive and repulsive magnetic suspension systems overview
Cope, David B.; Fontana, Richard R.
1992-01-01
Magnetic suspension systems can be used in a wide variety of applications. The decision of whether to use an attractive or repulsive suspension system for a particular application is a fundamental one which must be made during the design process. As an aid to the designer, we compare and contrast attractive and repulsive magnetic suspension systems and indicate whether and under what conditions one or the other system is preferred.
Casimir Repulsion between Metallic Objects in Vacuum
International Nuclear Information System (INIS)
Levin, Michael; McCauley, Alexander P.; Rodriguez, Alejandro W.; Reid, M. T. Homer; Johnson, Steven G.
2010-01-01
We give an example of a geometry in which two metallic objects in vacuum experience a repulsive Casimir force. The geometry consists of an elongated metal particle centered above a metal plate with a hole. We prove that this geometry has a repulsive regime using a symmetry argument and confirm it with numerical calculations for both perfect and realistic metals. The system does not support stable levitation, as the particle is unstable to displacements away from the symmetry axis.
Repulsive Casimir and Casimir–Polder forces
International Nuclear Information System (INIS)
Milton, Kimball A; Abalo, E K; Parashar, Prachi; Pourtolami, Nima; Brevik, Iver; Ellingsen, Simen Å
2012-01-01
Casimir and Casimir–Polder repulsions have been known for more than 50 years. The general ‘Lifshitz’ configuration of parallel semi-infinite dielectric slabs permits repulsion if they are separated by a dielectric fluid that has a value of permittivity that is intermediate between those of the dielectric slabs. This was indirectly confirmed in the 1970s, and more directly by Capasso’s group recently. It has also been known for many years that electrically and magnetically polarizable bodies can experience a repulsive quantum vacuum force. More amenable to practical application are situations where repulsion could be achieved between ordinary conducting and dielectric bodies in vacuum. The status of the field of Casimir repulsion with emphasis on some recent developments will be surveyed. Here, stress will be placed on analytic developments, especially on Casimir–Polder (CP) interactions between anisotropically polarizable atoms, and CP interactions between anisotropic atoms and bodies that also exhibit anisotropy, either because of anisotropic constituents, or because of geometry. Repulsion occurs for wedge-shaped and cylindrical conductors, provided the geometry is sufficiently asymmetric, that is, either the wedge is sufficiently sharp or the atom is sufficiently far from the cylinder. This article is part of a special issue of Journal of Physics A: Mathematical and Theoretical in honour of Stuart Dowker’s 75th birthday devoted to ‘Applications of zeta functions and other spectral functions in mathematics and physics’. (review)
Appleberry, W. T.
1983-01-01
Standard hydraulic shock absorber modified to form coulomb (linear friction) damper. Device damps very small velocities and is well suited for use with large masses mounted on soft springs. Damping force is easily adjusted for different loads. Dampers are more reliable than fluid dampers and also more economical to build and to maintain.
Relativistic Coulomb excitation
International Nuclear Information System (INIS)
Winther, A.; Alder, K.
1979-01-01
Coulomb excitation of both target and projectile in relativistic heavy ion collisions is evaluated including the lowest order correction for the deviation from a straight line trajectory. Explicit results for differential and total cross sections are given in the form of tables and figures. (Auth.)
Trapping a Knot into Tight Conformations by Intra-Chain Repulsions
Directory of Open Access Journals (Sweden)
Liang Dai
2017-02-01
Full Text Available Knots can occur in biopolymers such as DNA and peptides. In our previous study, we systematically investigated the effects of intra-chain interactions on knots and found that long-range repulsions can surprisingly tighten knots. Here, we use this knowledge to trap a knot into tight conformations in Langevin dynamics simulations. By trapping, we mean that the free energy landscape with respect to the knot size exhibits a potential well around a small knot size in the presence of long-range repulsions, and this potential can well lead to long-lived tight knots when its depth is comparable to or larger than thermal energy. We tune the strength of intra-chain repulsion such that a knot is weakly trapped. Driven by thermal fluctuations, the knot can escape from the trap and is then re-trapped. We find that the knot switches between tight and loose conformations—referred to as “knot breathing”. We use a Yukawa potential to model screened electrostatic interactions to explore the relevance of knot trapping and breathing in charged biopolymers. We determine the minimal screened length and the minimal strength of repulsion for knot trapping. We find that Coulomb-induced knot trapping is possible to occur in single-stranded DNA and peptides for normal ionic strengths.
Expansions for Coulomb wave functions
Boersma, J.
1969-01-01
In this paper we derive a number of expansions for Whittaker functions, regular and irregular Coulomb wave functions. The main result consists of a new expansion for the irregular Coulomb wave functions of orders zero and one in terms of regular Coulomb wave functions. The latter expansions are
Electric and Magnetic Coulomb Potentials in the Deuteron
Directory of Open Access Journals (Sweden)
Bernard Schaeffer
2013-09-01
Full Text Available After one century of nuclear physics, the underlying fun- damental laws of nuclear physics are still missing. Bohr had found a formula for the H atom and another for the H2 molecule but no equivalent formula exists for the deuteron 2H. The only known Coulomb interaction in a nucleus by the mainstream nuclear physics is the long range repulsion between protons, forgetting that the neutron contains elec- tric charges with no net charge. The neutron is attracted by the proton in a way discovered two millenaries ago by the Greeks. This attraction is equilibrated by the repulsion between the opposite magnetic moments of the proton and of the neutron in the deuteron. The bare application of ge- ometry together with electric and magnetic Coulomb’s in- teractions accounts for the binding energy of the deuteron, without fitting, with only 4 per cent discrepancy, proving the electromagnetic nature of the nuclear energy.
Desensitization and recovery of metastable intermolecular composites
Busse, James R [South Fork, CO; Dye, Robert C [Los Alamos, NM; Foley, Timothy J [Los Alamos, NM; Higa, Kelvin T [Ridgecrest, CA; Jorgensen, Betty S [Jemez Springs, NM; Sanders, Victor E [White Rock, NM; Son, Steven F [Los Alamos, NM
2010-09-07
A method to substantially desensitize a metastable intermolecular composite material to electrostatic discharge and friction comprising mixing the composite material with an organic diluent and removing enough organic diluent from the mixture to form a mixture with a substantially putty-like consistency, as well as a concomitant method of recovering the metastable intermolecular composite material.
Ab initio and Gordon--Kim intermolecular potentials for two nitrogen molecules
International Nuclear Information System (INIS)
Ree, F.H.; Winter, N.W.
1980-01-01
Both ab initio MO--LCAO--SCF and the electron-gas (or Gordon--Kim) methods have been used to compute the intermolecular potential (Phi) of N 2 molecules for seven different N 2 --N 2 orientations. The ab initio calculations were carried out using a [4s3p] contracted Gaussian basis set with and without 3d polarization functions. The larger basis set provides adequate results for Phi>0.002 hartree or intermolecular separations less than 6.5--7 bohr. We use a convenient analytic expression to represent the ab initio data in terms of the intermolecular distance and three angles defining the orientations of the two N 2 molecules. The Gordon--Kim method with Rae's self-exchange correction yields Phi, which agrees reasonably well over a large repulsive range. However, a detailed comparison of the electron kinetic energy contributions shows a large difference between the ab initio and the Gordon--Kim calculations. Using the ab initio data we derive an atom--atom potential of the two N 2 molecules. Although this expression does not accurately fit the data at some orientations, its spherical average agrees with the corresponding average of the ab initio Phi remarkably well. The spherically averaged ab initio Phi is also compared with the corresponding quantities derived from experimental considerations. The approach of the ab initio Phi to the classical quadrupole--quadrupole interaction at large intermolecular separation is also discussed
Atomic-batched tensor decomposed two-electron repulsion integrals
Schmitz, Gunnar; Madsen, Niels Kristian; Christiansen, Ove
2017-04-01
We present a new integral format for 4-index electron repulsion integrals, in which several strategies like the Resolution-of-the-Identity (RI) approximation and other more general tensor-decomposition techniques are combined with an atomic batching scheme. The 3-index RI integral tensor is divided into sub-tensors defined by atom pairs on which we perform an accelerated decomposition to the canonical product (CP) format. In a first step, the RI integrals are decomposed to a high-rank CP-like format by repeated singular value decompositions followed by a rank reduction, which uses a Tucker decomposition as an intermediate step to lower the prefactor of the algorithm. After decomposing the RI sub-tensors (within the Coulomb metric), they can be reassembled to the full decomposed tensor (RC approach) or the atomic batched format can be maintained (ABC approach). In the first case, the integrals are very similar to the well-known tensor hypercontraction integral format, which gained some attraction in recent years since it allows for quartic scaling implementations of MP2 and some coupled cluster methods. On the MP2 level, the RC and ABC approaches are compared concerning efficiency and storage requirements. Furthermore, the overall accuracy of this approach is assessed. Initial test calculations show a good accuracy and that it is not limited to small systems.
The role of local repulsion in superconductivity in the Hubbard–Holstein model
Energy Technology Data Exchange (ETDEWEB)
Lin, Chungwei, E-mail: clin@merl.com; Wang, Bingnan; Teo, Koon Hoo
2017-01-15
Highlights: • There exists an optimal Boson energy for superconductivity in Hubbard–Holstein model. • The electron-Boson coupling is essential for superconductivity, but the same coupling can lead to polaron insulator, which is against superconductivity. • The local Coulomb repulsion can sometimes enhance superconductivity. - Abstract: We examine the superconducting solution in the Hubbard–Holstein model using Dynamical Mean Field Theory. The Holstein term introduces the site-independent Boson fields coupling to local electron density, and has two competing influences on superconductivity: The Boson field mediates the effective electron-electron attraction, which is essential for the S-wave electron pairing; the same coupling to the Boson fields also induces the polaron effect, which makes the system less metallic and thus suppresses superconductivity. The Hubbard term introduces an energy penalty U when two electrons occupy the same site, which is expected to suppress superconductivity. By solving the Hubbard–Holstein model using Dynamical Mean Field theory, we find that the Hubbard U can be beneficial to superconductivity under some circumstances. In particular, we demonstrate that when the Boson energy Ω is small, a weak local repulsion actually stabilizes the S-wave superconducting state. This behavior can be understood as an interplay between superconductivity, the polaron effect, and the on-site repulsion: As the polaron effect is strong and suppresses superconductivity in the small Ω regime, the weak on-site repulsion reduces the polaron effect and effectively enhances superconductivity. Our calculation elucidates the role of local repulsion in the conventional S-wave superconductors.
A soundtrack between allurement and repulsion
DEFF Research Database (Denmark)
Have, Iben
2011-01-01
By mixing industrial, metallic sounds and organic, throaty sounds, Kitchen Sink creates an acoustic universe which is at once repulsive and alluring. The article takes a phenomenological and deep listening approach to investigate how the soundtrack of Kitchen Sink contributes to the ambiguous...... narrative of the film....
McClarty, P. A.; O'Brien, A.; Pollmann, F.
2014-05-01
We consider a classical model of charges ±q on a pyrochlore lattice in the presence of long-range Coulomb interactions. This model first appeared in the early literature on charge order in magnetite [P. W. Anderson, Phys. Rev. 102, 1008 (1956), 10.1103/PhysRev.102.1008]. In the limit where the interactions become short ranged, the model has a ground state with an extensive entropy and dipolar charge-charge correlations. When long-range interactions are introduced, the exact degeneracy is broken. We study the thermodynamics of the model and show the presence of a correlated charge liquid within a temperature window in which the physics is well described as a liquid of screened charged defects. The structure factor in this phase, which has smeared pinch points at the reciprocal lattice points, may be used to detect charge ice experimentally. In addition, the model exhibits fractionally charged excitations ±q/2 which are shown to interact via a 1/r potential. At lower temperatures, the model exhibits a transition to a long-range ordered phase. We are able to treat the Coulombic charge ice model and the dipolar spin ice model on an equal footing by mapping both to a constrained charge model on the diamond lattice. We find that states of the two ice models are related by a staggering field which is reflected in the energetics of these two models. From this perspective, we can understand the origin of the spin ice and charge ice ground states as coming from a dipolar model on a diamond lattice. We study the properties of charge ice in an external electric field, finding that the correlated liquid is robust to the presence of a field in contrast to the case of spin ice in a magnetic field. Finally, we comment on the transport properties of Coulombic charge ice in the correlated liquid phase.
International Nuclear Information System (INIS)
Hrasko, P.; Foeldy, L.; Toth, A.
1986-07-01
Electron-positron pair production in strong Coulomb fields is outlined. It is shown that the singular behaviour of the adiabatic basis can be removed if solutions of the time dependent external field Dirac equation are used as a basis to expand the fermion field operator. This latter 'asymptotic basis' makes it possible to introduce Feynman-propagator. Applying the reduction technique, the computation of all of the basic quantities can be reduced to the solution of an integral equation. The positron spectrum for separable potential model with Lorentzian time dependence and for potential jump is analyzed in the pole approximation. (author)
Grain dynamics and inter-grain coupling in dusty plasma Coulomb crystals
International Nuclear Information System (INIS)
Rahman, H.U.; Mohideen, U.; Smith, M.A.; Rosenberg, M.; Mendis, D.A.
2001-01-01
We review our results on the lattice structure and the lattice dynamics of dusty plasma Coulomb crystals formed in rectangular conductive grooves. The basic structure appears to be made of mutually repulsive columns of grains confined by the walls of the groove. The columns are oriented along the direction of the electrode sheath electric field. Inter-grain coupling as a function of plasma temperature and density were investigated by measurement of these parameters. A simple phenomenological model wherein the inter-grain spacing along the column results from an attractive electric field induced dipole-dipole force balanced by a repulsive monopole Coulomb force is consistent with observed features of the Coulomb crystal. In addition, here we present some preliminary measurements of the vibration and rotation dynamics of the individual grains in the Coulomb crystal. The thermal energy of the dust grain thus calculated is much less than the inter-grain Coulomb potential energy as required for the formation of stable structures. Also the observed rotational frequency is consistent with the assumption of thermal equilibrium between the dust grains and the neutral gas. (orig.)
Coulomb energy, vortices, and confinement
International Nuclear Information System (INIS)
Greensite, Jeff; Olejnik, Stefan
2003-01-01
We estimate the Coulomb energy of static quarks from a Monte Carlo calculation of the correlator of timelike link variables in the Coulomb gauge. We find, in agreement with Cucchieri and Zwanziger, that this energy grows linearly with distance at large quark separations. The corresponding string tension, however, is several times greater than the accepted asymptotic string tension, indicating that a state containing only static sources, with no constituent gluons, is not the lowest energy flux tube state. The Coulomb energy is also measured on thermalized lattices with center vortices removed by the de Forcrand-D'Elia procedure. We find that when vortices are removed, the Coulomb string tension vanishes
Characterizing the Polymer:Fullerene Intermolecular Interactions
Sweetnam, Sean; Vandewal, Koen; Cho, Eunkyung; Risko, Chad; Coropceanu, Veaceslav; Salleo, Alberto; Bredas, Jean-Luc; McGehee, Michael D.
2016-01-01
the polymer and fullerene, there is not a consensus on the nature of these interactions. In this work, we use a combination of Raman spectroscopy, charge transfer state absorption, and density functional theory calculations to show that the intermolecular
Characterizing the Polymer:Fullerene Intermolecular Interactions
Sweetnam, Sean
2016-02-02
Polymer:fullerene solar cells depend heavily on the electronic coupling of the polymer and fullerene molecular species from which they are composed. The intermolecular interaction between the polymer and fullerene tends to be strong in efficient photovoltaic systems, as evidenced by efficient charge transfer processes and by large changes in the energetics of the polymer and fullerene when they are molecularly mixed. Despite the clear presence of these strong intermolecular interactions between the polymer and fullerene, there is not a consensus on the nature of these interactions. In this work, we use a combination of Raman spectroscopy, charge transfer state absorption, and density functional theory calculations to show that the intermolecular interactions do not appear to be caused by ground state charge transfer between the polymer and fullerene. We conclude that these intermolecular interactions are primarily van der Waals in nature. © 2016 American Chemical Society.
S-wave π-nucleus repulsion and dirac phenomenology
International Nuclear Information System (INIS)
Chakravarti, S.; Jennings, B.K.
1993-12-01
A relativistic π-nucleon potential is extended to m* ≠ m to investigate the possibility of generating s-wave π-nucleus repulsion. We find that relativity does indeed generate significant repulsion, the exact amount depending on the details of the calculation. In contradistinction the tp approximation gives very little repulsion. (author). 18 refs., 3 tabs., 2 figs
Coulomb-Fourier representation approach to three-body scattering with charged particles
International Nuclear Information System (INIS)
Alt, E.O.; Levin, S.B.; Yakovlev, S.L.
2004-01-01
We present a novel approach for calculating charged-composite particle scattering. It consists in eliminating by means of a suitably chosen representation that part of the interaction which is of longest range and, hence, gives rise to all the troublesome features which plague charged particle scattering theories. In this paper only the simplest case is considered, namely that of two charged and one neutral particles which interact via pairwise strong potentials, and a repulsive Coulomb potential between the charged particles
The origins of the directionality of noncovalent intermolecular interactions.
Wang, Changwei; Guan, Liangyu; Danovich, David; Shaik, Sason; Mo, Yirong
2016-01-05
The recent σ-hole concept emphasizes the contribution of electrostatic attraction to noncovalent bonds, and implies that the electrostatic force has an angular dependency. Here a set of clusters, which includes hydrogen bonding, halogen bonding, chalcogen bonding, and pnicogen bonding systems, is investigated to probe the magnitude of covalency and its contribution to the directionality in noncovalent bonding. The study is based on the block-localized wavefunction (BLW) method that decomposes the binding energy into the steric and the charge transfer (CT) (hyperconjugation) contributions. One unique feature of the BLW method is its capability to derive optimal geometries with only steric effect taken into account, while excluding the CT interaction. The results reveal that the overall steric energy exhibits angular dependency notably in halogen bonding, chalcogen bonding, and pnicogen bonding systems. Turning on the CT interactions further shortens the intermolecular distances. This bond shortening enhances the Pauli repulsion, which in turn offsets the electrostatic attraction, such that in the final sum, the contribution of the steric effect to bonding is diminished, leaving the CT to dominate the binding energy. In several other systems particularly hydrogen bonding systems, the steric effect nevertheless still plays the major role whereas the CT interaction is minor. However, in all cases, the CT exhibits strong directionality, suggesting that the linearity or near linearity of noncovalent bonds is largely governed by the charge-transfer interaction whose magnitude determines the covalency in noncovalent bonds. © 2015 Wiley Periodicals, Inc.
Integral equation for Coulomb problem
International Nuclear Information System (INIS)
Sasakawa, T.
1986-01-01
For short range potentials an inhomogeneous (homogeneous) Lippmann-Schwinger integral equation of the Fredholm type yields the wave function of scattering (bound) state. For the Coulomb potential, this statement is no more valid. It has been felt difficult to express the Coulomb wave function in a form of an integral equation with the Coulomb potential as the perturbation. In the present paper, the author shows that an inhomogeneous integral equation of a Volterra type with the Coulomb potential as the perturbation can be constructed both for the scattering and the bound states. The equation yielding the binding energy is given in an integral form. The present treatment is easily extended to the coupled Coulomb problems
Coulomb double helical structure
Kamimura, Tetsuo; Ishihara, Osamu
2012-01-01
Structures of Coulomb clusters formed by dust particles in a plasma are studied by numerical simulation. Our study reveals the presence of various types of self-organized structures of a cluster confined in a prolate spheroidal electrostatic potential. The stable configurations depend on a prolateness parameter for the confining potential as well as on the number of dust particles in a cluster. One-dimensional string, two-dimensional zigzag structure and three-dimensional double helical structure are found as a result of the transition controlled by the prolateness parameter. The formation of stable double helical structures resulted from the transition associated with the instability of angular perturbations on double strings. Analytical perturbation study supports the findings of numerical simulations.
Fuentes-Herrera, M; Moreno-Razo, J A; Guzmán, O; López-Lemus, J; Ibarra-Tandi, B
2016-06-07
Molecular simulations in the canonical and isothermal-isobaric ensembles were performed to study the effect of varying the shape of the intermolecular potential on the phase diagram, critical, and interfacial properties of model fluids. The molecular interactions were modeled by the Approximate Non-Conformal (ANC) theory potentials. Unlike the Lennard-Jones or Morse potentials, the ANC interactions incorporate parameters (called softnesses) that modulate the steepness of the potential in their repulsive and attractive parts independently. This feature allowed us to separate unambiguously the role of each region of the potential on setting the thermophysical properties. In particular, we found positive linear correlation between all critical coordinates and the attractive and repulsive softness, except for the critical density and the attractive softness which are negatively correlated. Moreover, we found that the physical properties related to phase coexistence (such as span of the liquid phase between the critical and triple points, variations in the P-T vaporization curve, interface width, and surface tension) are more sensitive to changes in the attractive softness than to the repulsive one. Understanding the different roles of attractive and repulsive forces on phase coexistence may contribute to developing more accurate models of liquids and their mixtures.
The Coulomb gap and low energy statistics for Coulomb glasses
International Nuclear Information System (INIS)
Glatz, Andreas; Vinokur, Valerii M; Bergli, Joakim; Kirkengen, Martin; Galperin, Yuri M
2008-01-01
We study the statistics of local energy minima in the configuration space of two-dimensional lattice Coulomb glasses with site disorder and the behavior of the Coulomb gap depending on the strength of random site energies. At intermediate disorder, i.e., when the typical strength of the disorder is of the same order as the nearest-neighbor Coulomb energy, the high energy tail of the distribution of the local minima is exponential. We furthermore analyze the structure of the local minima and show that most sites of the system have the same occupation numbers in all of these states. The density of states (DOS) shows a transition from the crystalline state at zero disorder (with a hard gap) to an intermediate, probably glassy state with a Coulomb gap. We analyze this Coulomb gap in some detail and show that the DOS deviates slightly from the traditional linear behavior in 2D. For finite systems these intermediate Coulomb gap states disappear for large disorder strengths and only a random localized state in which all electrons are in the minima of the random potential exists. Dedication: This paper is dedicated to Thomas Nattermann, our dearest friend, brilliant colleague, and outstanding teacher
Geometric constructions for repulsive gravity and quantization
International Nuclear Information System (INIS)
Hohmann, Manuel
2010-11-01
In this thesis we present two geometric theories designed to extend general relativity. It can be seen as one of the aims of such theories to model the observed accelerating expansion of the universe as a gravitational phenomenon, or to provide a mathematical structure for the formulation of quantum field theories on curved spacetimes and quantum gravity. This thesis splits into two parts: In the first part we consider multimetric gravity theories containing N>1 standard model copies which interact only gravitationally and repel each other in the Newtonian limit. The dynamics of each of the standard model copies is governed by its own metric tensor. We show that the antisymmetric case, in which the mutual repulsion between the different matter sectors is of equal strength compared to the attractive gravitational force within each sector, is prohibited by a no-go theorem for N=2. We further show that this theorem does not hold for N>2 by explicitly constructing an antisymmetric multimetric repulsive gravity theory. We then examine several properties of this theory. Most notably, we derive a simple cosmological model and show that the accelerating expansion of the late universe can indeed be explained by the mutual repulsion between the different matter sectors. We further present a simple model for structure formation and show that our model leads to the formation of filament-like structures and voids. Finally, we show that multimetric repulsive gravity is compatible with high-precision solar system data using the parametrized post-Newtonian formalism. In the second part of the thesis we propose a mathematical model of quantum spacetime as an infinite-dimensional manifold locally homeomorphic to an appropriate Schwartz space. This extends and unifies both the standard function space construction of quantum mechanics and the differentiable manifold structure of classical spacetime. In this picture we demonstrate that classical spacetime emerges as a finite
Mirror nesting and repulsion-induced superconductivity
International Nuclear Information System (INIS)
Belyavsky, Vladimir I.; Kapaev, Vladimir V.; Kopaev, Yurii V.
2004-01-01
Mirror nesting condition that is a rise of pair Fermi contour due to matching of some pieces of the Fermi contour and an isoline of the pair-relative-motion kinetic energy may be satisfied, at definite total pair momenta, due to special features of electron dispersion. Perfect mirror nesting results in a rise of the possibility of superconducting ordering up to arbitrary small pairing repulsive interaction strength. Due to kinematical constraints, the order parameter exists only inside some definite domain of the momentum space and changes its sign on a line belonging to this domain
Geometric constructions for repulsive gravity and quantization
Energy Technology Data Exchange (ETDEWEB)
Hohmann, Manuel
2010-11-15
In this thesis we present two geometric theories designed to extend general relativity. It can be seen as one of the aims of such theories to model the observed accelerating expansion of the universe as a gravitational phenomenon, or to provide a mathematical structure for the formulation of quantum field theories on curved spacetimes and quantum gravity. This thesis splits into two parts: In the first part we consider multimetric gravity theories containing N>1 standard model copies which interact only gravitationally and repel each other in the Newtonian limit. The dynamics of each of the standard model copies is governed by its own metric tensor. We show that the antisymmetric case, in which the mutual repulsion between the different matter sectors is of equal strength compared to the attractive gravitational force within each sector, is prohibited by a no-go theorem for N=2. We further show that this theorem does not hold for N>2 by explicitly constructing an antisymmetric multimetric repulsive gravity theory. We then examine several properties of this theory. Most notably, we derive a simple cosmological model and show that the accelerating expansion of the late universe can indeed be explained by the mutual repulsion between the different matter sectors. We further present a simple model for structure formation and show that our model leads to the formation of filament-like structures and voids. Finally, we show that multimetric repulsive gravity is compatible with high-precision solar system data using the parametrized post-Newtonian formalism. In the second part of the thesis we propose a mathematical model of quantum spacetime as an infinite-dimensional manifold locally homeomorphic to an appropriate Schwartz space. This extends and unifies both the standard function space construction of quantum mechanics and the differentiable manifold structure of classical spacetime. In this picture we demonstrate that classical spacetime emerges as a finite
Interatomic Coulombic electron capture
International Nuclear Information System (INIS)
Gokhberg, K.; Cederbaum, L. S.
2010-01-01
In a previous publication [K. Gokhberg and L. S. Cederbaum, J. Phys. B 42, 231001 (2009)] we presented the interatomic Coulombic electron capture process--an efficient electron capture mechanism by atoms and ions in the presence of an environment. In the present work we derive and discuss the mechanism in detail. We demonstrate thereby that this mechanism belongs to a family of interatomic electron capture processes driven by electron correlation. In these processes the excess energy released in the capture event is transferred to the environment and used to ionize (or to excite) it. This family includes the processes where the capture is into the lowest or into an excited unoccupied orbital of an atom or ion and proceeds in step with the ionization (or excitation) of the environment, as well as the process where an intermediate autoionizing excited resonance state is formed in the capturing center which subsequently deexcites to a stable state transferring its excess energy to the environment. Detailed derivation of the asymptotic cross sections of these processes is presented. The derived expressions make clear that the environment assisted capture processes can be important for many systems. Illustrative examples are presented for a number of model systems for which the data needed to construct the various capture cross sections are available in the literature.
Cohesion: a scientific history of intermolecular forces
National Research Council Canada - National Science Library
Rowlinson, J. S
2002-01-01
.... The ﬁnal section gives an account of the successful use in the 20th century of quantum mechanics and statistical mechanics to resolve most of the remaining problems. Throughout the last 300 years there have been periods of tremendous growth in our understanding of intermolecular forces but such interest proved to be unsustainable, and long periods of...
Coulomb interaction in multiple scattering theory
International Nuclear Information System (INIS)
Ray, L.; Hoffmann, G.W.; Thaler, R.M.
1980-01-01
The treatment of the Coulomb interaction in the multiple scattering theories of Kerman-McManus-Thaler and Watson is examined in detail. By neglecting virtual Coulomb excitations, the lowest order Coulomb term in the Watson optical potential is shown to be a convolution of the point Coulomb interaction with the distributed nuclear charge, while the equivalent Kerman-McManus-Thaler Coulomb potential is obtained from an averaged, single-particle Coulombic T matrix. The Kerman-McManus-Thaler Coulomb potential is expressed as the Watson Coulomb term plus additional Coulomb-nuclear and Coulomb-Coulomb cross terms, and the omission of the extra terms in usual Kerman-McManus-Thaler applications leads to negative infinite total reaction cross section predictions and incorrect pure Coulomb scattering limits. Approximations are presented which eliminate these anomalies. Using the two-potential formula, the full projectile-nucleus T matrix is separated into two terms, one resulting from the distributed nuclear charge and the other being a Coulomb distorted nuclear T matrix. It is shown that the error resulting from the omission of the Kerman-McManus-Thaler Coulomb terms is effectively removed when the pure Coulomb T matrix in Kerman-McManus-Thaler is replaced by the analogous quantity in the Watson approach. Using the various approximations, theoretical angular distributions are obtained for 800 MeV p+ 208 Pb elastic scattering and compared with experimental data
Horizontal vectorization of electron repulsion integrals.
Pritchard, Benjamin P; Chow, Edmond
2016-10-30
We present an efficient implementation of the Obara-Saika algorithm for the computation of electron repulsion integrals that utilizes vector intrinsics to calculate several primitive integrals concurrently in a SIMD vector. Initial benchmarks display a 2-4 times speedup with AVX instructions over comparable scalar code, depending on the basis set. Speedup over scalar code is found to be sensitive to the level of contraction of the basis set, and is best for (lAlB|lClD) quartets when lD = 0 or lB=lD=0, which makes such a vectorization scheme particularly suitable for density fitting. The basic Obara-Saika algorithm, how it is vectorized, and the performance bottlenecks are analyzed and discussed. © 2016 Wiley Periodicals, Inc. © 2016 Wiley Periodicals, Inc.
Decay modes of two repulsively interacting bosons
International Nuclear Information System (INIS)
Kim, Sungyun; Brand, Joachim
2011-01-01
We study the decay of two repulsively interacting bosons tunnelling through a delta potential barrier by a direct numerical solution of the time-dependent Schroedinger equation. The solutions are analysed according to the regions of particle presence: both particles inside the trap (in-in), one particle in and one particle out (in-out) and both particles outside (out-out). It is shown that the in-in probability is dominated by the exponential decay, and its decay rate is predicted very well from outgoing boundary conditions. Up to a certain range of interaction strength, the decay of in-out probability is dominated by the single-particle decay mode. The decay mechanisms are adequately described by simple models.
A repulsive magnetic force driven translation micromirror
International Nuclear Information System (INIS)
Xue, Yuan; Zuo, Hui; He, Siyuan
2017-01-01
This paper presents a repulsive magnetic force driven micromirror with large displacement and high surface quality which well solves the limitation of the previous design, i.e. large variation in translation starting position and low repeatability, caused by the touching points between the moving film and substrate before and in operation. The new design utilizes a driving mechanism, i.e. permanent magnet ring above and electromagnet underneath the moving film, to lift the moving film from touching the substrate and generate a repulsive magnetic force (instead of attractive force in the previous design) to push the moving film up and away from the substrate for translation. Due to the touching, the previous design has to pre-oscillate for 20–30 min at 1 Hz before usage (after resting for a few hours) to reduce the starting position variation from ∼15 µ m to 3–4 µ m. Even after the pre-oscillation, the repeatability is still low, which is 14.2% because of the touching in operation. In the design presented in this paper, the touching between the moving film and the substrate is completely eliminated before and in operation. As a result, the starting position of the translating mirror is constant each time and the repeatability is <1%. In addition, this design does not need the residual stress gradient to curve up the moving film. The maximum displacement of 144 µ m can be achieved when 140 mA current is applied on the electromagnet. As an application, the micromirror is used as the movable mirror in a Michelson interferometer to measure the wavelength of a laser beam. The result shows a measurement accuracy of 2.19% for a 532 nm laser beam. (paper)
A repulsive magnetic force driven translation micromirror
Xue, Yuan; Zuo, Hui; He, Siyuan
2017-10-01
This paper presents a repulsive magnetic force driven micromirror with large displacement and high surface quality which well solves the limitation of the previous design, i.e. large variation in translation starting position and low repeatability, caused by the touching points between the moving film and substrate before and in operation. The new design utilizes a driving mechanism, i.e. permanent magnet ring above and electromagnet underneath the moving film, to lift the moving film from touching the substrate and generate a repulsive magnetic force (instead of attractive force in the previous design) to push the moving film up and away from the substrate for translation. Due to the touching, the previous design has to pre-oscillate for 20-30 min at 1 Hz before usage (after resting for a few hours) to reduce the starting position variation from ~15 µm to 3-4 µm. Even after the pre-oscillation, the repeatability is still low, which is 14.2% because of the touching in operation. In the design presented in this paper, the touching between the moving film and the substrate is completely eliminated before and in operation. As a result, the starting position of the translating mirror is constant each time and the repeatability is <1%. In addition, this design does not need the residual stress gradient to curve up the moving film. The maximum displacement of 144 µm can be achieved when 140 mA current is applied on the electromagnet. As an application, the micromirror is used as the movable mirror in a Michelson interferometer to measure the wavelength of a laser beam. The result shows a measurement accuracy of 2.19% for a 532 nm laser beam.
Coulomb explosion sputtering, crater and blister formation by HCI
International Nuclear Information System (INIS)
Parilis, E.S.
2001-01-01
A simple theoretical model based on gradual Auger neutralization of a highly charged ion as it approaches the surface, with consequent positive charge deposition in surface layers and their expansion due to Coulomb repulsion provides the means to make some estimates that could explain the creation of very shallow blisters and craters on surface, as well as sputtering of up to 10 3 atoms in a single ion impact. Calculation of the dependence of blister size on projectile charge, based on charge evolution, gives some results fitting the experimental data. The model deals not just with the conducting properties of the solid, but with its structure as well, for instance the layered structure of mica. While the general source of energy remains the same, the particular mechanism of its realization depends largely on the composition, structure and electronic properties of the solid. The composition of the ejecta is discussed within the framework of the shock wave approach. (orig.)
Coulomb branches with complex singularities
Argyres, Philip C.; Martone, Mario
2018-06-01
We construct 4d superconformal field theories (SCFTs) whose Coulomb branches have singular complex structures. This implies, in particular, that their Coulomb branch coordinate rings are not freely generated. Our construction also gives examples of distinct SCFTs which have identical moduli space (Coulomb, Higgs, and mixed branch) geometries. These SCFTs thus provide an interesting arena in which to test the relationship between moduli space geometries and conformal field theory data. We construct these SCFTs by gauging certain discrete global symmetries of N = 4 superYang-Mills (sYM) theories. In the simplest cases, these discrete symmetries are outer automorphisms of the sYM gauge group, and so these theories have lagrangian descriptions as N = 4 sYM theories with disconnected gauge groups.
Radiative capture versus Coulomb dissociation
International Nuclear Information System (INIS)
Esbensen, H.; Physics
2006-01-01
Measurements of the Coulomb dissociation of 8 B have been used to infer the rate of the inverse radiative proton capture on 7 Be. The analysis is usually based on the assumptions that the two processes are related by detailed balance and described by E1 transitions. However, there are corrections to this relation. The Coulomb form factors for the two processes, for example, are not identical. There are also E2 transitions and higher-order effects in the Coulomb dissociation, and the nuclear induced breakup cannot always be ignored. While adding first-order E2 transitions enhances the decay energy spectrum, the other mechanisms cause a suppression at low relative energies. The net result may accidentally be close to the conventional first-order E1 calculation, but there are differences which cannot be ignored if accuracies of 10% or better are needed
Radiative Capture versus Coulomb Dissociation
International Nuclear Information System (INIS)
Esbensen, Henning
2006-01-01
Measurements of the Coulomb dissociation of 8B have been used to infer the rate of the inverse radiative proton capture on 7Be. The analysis is usually based on the assumptions that the two processes are related by detailed balance and described by E1 transitions. However, there are corrections to this relation. The Coulomb form factors for the two processes, for example, are not identical. There are also E2 transitions and higher-order effects in the Coulomb dissociation, and the nuclear induced breakup cannot always be ignored. While adding first-order E2 transitions enhances the decay energy spectrum, the other mechanisms cause a suppression at low relative energies. The net result may accidentally be close to the conventional first-order E1 calculation, but there are differences which cannot be ignored if accuracies of 10% or better are needed
Gauge orbits and the Coulomb potential
International Nuclear Information System (INIS)
Greensite, J.
2009-01-01
If the color Coulomb potential is confining, then the Coulomb field energy of an isolated color charge is infinite on an infinite lattice, even if the usual UV divergence is lattice regulated. A simple criterion for Coulomb confinement is that the expectation value of timelike link variables vanishes in the Coulomb gauge, but it is unclear how this criterion is related to the spectrum of the corresponding Faddeev-Popov operator, which can be used to formulate a quite different criterion for Coulomb confinement. The purpose of this article is to connect the two seemingly different Coulomb confinement criteria, and explain the geometrical basis of the connection.
International Nuclear Information System (INIS)
Brandao, S.B.
1987-01-01
The level structure of 189 Os has been studied by Coulomb excitation using 35 Cl, 28 Si, 16 O beams. GOSIA, a code written to analyze multiple Coulomb excitation, was used to obtain the reduced probabilities of transition B(E2). The results for interband and intraband turned out possible the classification of the states following Nilsson levels. Gamma-rays originating from deexcitation of 216.7 and 219.4 keV have been separated and the reduced probability of transition has been measured. (A.C.A.S.) [pt
Digital communication through intermolecular fluorescence modulation.
Raymo, F M; Giordani, S
2001-06-14
[see reaction]. Ultraminiaturized processors incorporating molecular components can be developed only after devising efficient strategies to communicate signals at the molecular level. We have demonstrated that a three-state molecular switch responds to ultraviolet light, visible light, and H+, attenuating the emission intensity of a fluorescent probe. Intermolecular communication is responsible for the transduction of three input signals into a single optical output. The behavior of the communicating ensemble of molecules corresponds to that of a logic circuit incorporating seven gates.
Single-molecule magnets ``without'' intermolecular interactions
Wernsdorfer, W.; Vergnani, L.; Rodriguez-Douton, M. J.; Cornia, A.; Neugebauer, P.; Barra, A. L.; Sorace, L.; Sessoli, R.
2012-02-01
Intermolecular magnetic interactions (dipole-dipole and exchange) affect strongly the magnetic relaxation of crystals of single-molecule magnets (SMMs), especially at low temperature, where quantum tunneling of the magnetization (QTM) dominates. This leads to complex many-body problems [l]. Measurements on magnetically diluted samples are desirable to clearly sort out the behaviour of magnetically-isolated SMMs and to reveal, by comparison, the effect of intermolecular interactions. Here, we diluted a Fe4 SMM into a diamagnetic crystal lattice, affording arrays of independent and iso-oriented magnetic units. We found that the resonant tunnel transitions are much sharper, the tunneling efficiency changes significantly, and two-body QTM transitions disappear. These changes have been rationalized on the basis of a dipolar shuffling mechanism and of transverse dipolar fields, whose effect has been analyzed using a multispin model. Our findings directly prove the impact of intermolecular magnetic couplings on the SMM behaviour and disclose the magnetic response of truly-isolated giant spins in a diamagnetic crystalline environment.[4pt] [1] W. Wernsdorfer, at al, PRL 82, 3903 (1999); PRL 89, 197201 (2002); Nature 416, 406 (2002); IS Tupitsyn, PCE Stamp, NV Prokof'ev, PRB 69, 132406 (2004).
A general intermolecular force field based on tight-binding quantum chemical calculations
Grimme, Stefan; Bannwarth, Christoph; Caldeweyher, Eike; Pisarek, Jana; Hansen, Andreas
2017-10-01
A black-box type procedure is presented for the generation of a molecule-specific, intermolecular potential energy function. The method uses quantum chemical (QC) information from our recently published extended tight-binding semi-empirical scheme (GFN-xTB) and can treat non-covalently bound complexes and aggregates with almost arbitrary chemical structure. The necessary QC information consists of the equilibrium structure, Mulliken atomic charges, charge centers of localized molecular orbitals, and also of frontier orbitals and orbital energies. The molecular pair potential includes model density dependent Pauli repulsion, penetration, as well as point charge electrostatics, the newly developed D4 dispersion energy model, Drude oscillators for polarization, and a charge-transfer term. Only one element-specific and about 20 global empirical parameters are needed to cover systems with nuclear charges up to radon (Z = 86). The method is tested for standard small molecule interaction energy benchmark sets where it provides accurate intermolecular energies and equilibrium distances. Examples for structures with a few hundred atoms including charged systems demonstrate the versatility of the approach. The method is implemented in a stand-alone computer code which enables rigid-body, global minimum energy searches for molecular aggregation or alignment.
Study of a model Fermi liquid interacting via a hard-core repulsive potential and an attractive tail
International Nuclear Information System (INIS)
Ng, Tai Kai; Singwi, K.S.
1986-02-01
In this paper we present an extensive microscopic study of the collective and single-particle properties of a model Fermi liquid whose particles interact via a repulsive hard-core potential and an attractive tail. The model system is intended to simulate liquid 3 He. The study is based on an approximate scheme of Singwi, Tosi, Land and Sjoelander (STLS) which was devised to treat correlations in Coulomb Fermi liquids. The primary aim of this study is to learn whether the model system is capable of reproducing some of the salient features observed in normal liquid 3 He, and about the role of the repulsive and attractive parts of the potential. We have calculated the Landau parameters F 0 /sup s/ and F 0 /sup a/ and their variation with pressure, the wave number and pressure dependence of the spin-symmetric and spin-anti-symmetric polarization potentials, pressure dependence of the dispersion of the zero sound, the static structure factors and the quasiparticle mass. Although we make no quantitative claims when comparing our calculations with experiments in real liquid 3 He, we do conclude that our model system within the framework of the STLS scheme can account qualitatively for the latter. Besides, since the theory is microscopic in nature and is parameter free, it has enabled us to understand better the role of the repulsive and the attractive parts of the bare potential in determining the properties of liquid 3 He. 27 figs., 2 tabs
Axelrod models of social influence with cultural repulsion
Radillo-Díaz, Alejandro; Pérez, Luis A.; Del Castillo-Mussot, Marcelo
2009-12-01
Since both attractive and repulsive effects among agents are important in social systems, we present simulations of two models based on Axelrod’s homogenization mechanism that includes repulsion. These models are the repulsive model, where all individuals can repel, and the partially repulsive model where only a fraction of repelling agents are considered. In these two models, attractive dynamics is implemented for agents with the ability to repel each other only if the number of features shared by them is greater than a threshold parameter. Otherwise, repelling dynamics is used. In the repulsive model, the transition from a monocultural state to a fragmented one often occurs abruptly from one cultural-variability value to the next one and a second transition emerges. For the partially repulsive model, there are also two different transitions present: the initial one being as abrupt as the one found for the repulsive model, whereas the second one follows a less abrupt behavior and resembles that of the original Axelrod model. However, the second transition for this model occurrs from a partially fragmented state and not from a monocultural one.
Morse-Morse-Spline-Van der Waals intermolecular potential suitable for hexafluoride gases
International Nuclear Information System (INIS)
Coroiu, Ilioara
2004-01-01
Several effective isotopic pair potential functions have been proposed to characterize the bulk properties of quasispherical molecules, in particular the hexafluorides, but none got a success. Unfortunately, these potentials have repulsive walls steeper than those which describe the hexafluorides. That these intermolecular potentials are not quite adequate is shown by the lack of complete agreement between theory and experiment even for the rare gases. Not long ago, R. A. Aziz et al. have constructed a Morse-Morse-Spline-Van der Waals (MMSV) potential. The MMSV potential incorporates the determination of C 6 dispersion coefficient and it reasonably correlates second virial coefficients and viscosity data of sulphur hexafluoride at the same time. None of the potential functions previously proposed in literature could predict these properties simultaneously. We calculated the second virial coefficients and a large number of Chapman-Cowling collision integrals for this improved intermolecular potential, the MMSV potential. The results were tabulated for a large reduced temperature range, kT/ε from 0.1 to 100. The treatment was entirely classical and no corrections for quantum effects were made. The higher approximations to the transport coefficients and the isotopic thermal diffusion factor were also calculated and tabulated for the same range. In this paper we present the evaluation of the uranium hexafluoride potential parameters for the MMSV intermolecular potential. To find a single set of potential parameters which could predict all the transport properties (viscosity, thermal conductivity, self diffusion, etc.), as well as the second virial coefficients, simultaneously, the method suggested by Morizot and a large assortment of literature data were used. Our results emphasized that the Morse-Morse-Spline-Van der Waals potential have the best overall predictive ability for gaseous hexafluoride data, certain for uranium hexafluoride. (author)
Energy Technology Data Exchange (ETDEWEB)
Hobbs, M.L.
1997-12-01
Determination of product species, equations-of-state (EOS) and thermochemical properties of high explosives and pyrotechnics remains a major unsolved problem. Although, empirical EOS models may be calibrated to replicate detonation conditions within experimental variability (5--10%), different states, e.g. expansion, may produce significant discrepancy with data if the basic form of the EOS model is incorrect. A more physically realistic EOS model based on intermolecular potentials, such as the Jacobs Cowperthwaite Zwisler (JCZ3) EOS, is needed to predict detonation states as well as expanded states. Predictive capability for any EOS requires a large species data base composed of a wide variety of elements. Unfortunately, only 20 species have known JCZ3 molecular force constants. Of these 20 species, only 10 have been adequately compared to experimental data such as molecular scattering or shock Hugoniot data. Since data in the strongly repulsive region of the molecular potential is limited, alternative methods must be found to deduce force constants for a larger number of species. The objective of the present study is to determine JCZ3 product species force constants by using a corresponding states theory. Intermolecular potential parameters were obtained for a variety of gas species using a simple corresponding states technique with critical volume and critical temperature. A more complex, four parameter corresponding state method with shape and polarity corrections was also used to obtain intermolecular potential parameters. Both corresponding state methods were used to predict shock Hugoniot data obtained from pure liquids. The simple corresponding state method is shown to give adequate agreement with shock Hugoniot data.
Repulsion of polarized particles from two-dimensional materials
Rodríguez-Fortuño, Francisco J.; Picardi, Michela F.; Zayats, Anatoly V.
2018-05-01
Repulsion of nanoparticles, molecules, and atoms from surfaces can have important applications in nanomechanical devices, microfluidics, optical manipulation, and atom optics. Here, through the solution of a classical scattering problem, we show that a dipole source oscillating at a frequency ω can experience a robust and strong repulsive force when its near-field interacts with a two-dimensional material. As an example, the case of graphene is considered, showing that a broad bandwidth of repulsion can be obtained at frequencies for which propagation of plasmon modes is allowed 0 chemical potential tunable electrically or by chemical doping.
Coulomb interactions in charged fluids.
Vernizzi, Graziano; Guerrero-García, Guillermo Iván; de la Cruz, Monica Olvera
2011-07-01
The use of Ewald summation schemes for calculating long-range Coulomb interactions, originally applied to ionic crystalline solids, is a very common practice in molecular simulations of charged fluids at present. Such a choice imposes an artificial periodicity which is generally absent in the liquid state. In this paper we propose a simple analytical O(N(2)) method which is based on Gauss's law for computing exactly the Coulomb interaction between charged particles in a simulation box, when it is averaged over all possible orientations of a surrounding infinite lattice. This method mitigates the periodicity typical of crystalline systems and it is suitable for numerical studies of ionic liquids, charged molecular fluids, and colloidal systems with Monte Carlo and molecular dynamics simulations.
Coulombic Fluids Bulk and Interfaces
Freyland, Werner
2011-01-01
Ionic liquids have attracted considerable interest in recent years. In this book the bulk and interfacial physico-chemical characteristics of various fluid systems dominated by Coulomb interactions are treated which includes molten salts, ionic liquids as well as metal-molten salt mixtures and expanded fluid metals. Of particular interest is the comparison of the different systems. Topics in the bulk phase concern the microscopic structure, the phase behaviour and critical phenomena, and the metal-nonmetal transition. Interfacial phenomena include wetting transitions, electrowetting, surface freezing, and the electrified ionic liquid/ electrode interface. With regard to the latter 2D and 3D electrochemical phase formation of metals and semi-conductors on the nanometer scale is described for a number of selected examples. The basic concepts and various experimental methods are introduced making the book suitable for both graduate students and researchers interested in Coulombic fluids.
Ordering in classical Coulombic systems
International Nuclear Information System (INIS)
Schiffer, J. P.
1998-01-01
The author discusses the properties of classical Coulombic matter at low temperatures. It has been well known for some time [1,2] that infinite Coulombic matter will crystallize in body-centered cubic form when the quantity Λ (the dimensionless ratio of the average two-particle Coulomb energy to the kinetic energy per particle) is larger than approximately175. But the systems of such particles that have been produced in the laboratory in ion traps, or ion beams, are finite with surfaces defined by the boundary conditions that have to be satisfied. This results in ion clouds with sharply defined curved surfaces, and interior structures that show up as a set of concentric layers that are parallel to the outer surface. The ordering does not appear to be cubic, but the charges on each shell exhibit a ''hexatic'' pattern of equilateral triangles that is the characteristic of liquid crystals. The curvature of the surfaces prevents the structures on successive shells from interlocking in any simple fashion. This class of structures was first found in simulations [3] and later in experiments [4
Is repulsion good for the health of chimeras?
Jalan, Sarika; Ghosh, Saptarshi; Patra, Bibhabasu
2017-10-01
Yes! Very much so. A chimera state refers to the coexistence of a coherent-incoherent dynamical evolution of identically coupled oscillators. We investigate the impact of multiplexing of a layer having repulsively coupled oscillators on the occurrence of chimeras in the layer having attractively coupled identical oscillators. We report that there exists an enhancement in the appearance of the chimera state in one layer of the multiplex network in the presence of repulsive coupling in the other layer. Furthermore, we show that a small amount of inhibition or repulsive coupling in one layer is sufficient to yield the chimera state in another layer by destroying its synchronized behavior. These results can be used to obtain insight into dynamical behaviors of those systems where both attractive and repulsive couplings exist among their constituents.
Sutton, Christopher
2015-06-15
Rubrene is one of the most studied molecular semiconductors; its chemical structure consists of a tetracene backbone with four phenyl rings appended to the two central fused rings. Derivatization of these phenyl rings can lead to two very different solid-state molecular conformations and packings: One in which the tetracene core is planar and there exists substantive overlap among neighboring π-conjugated backbones; and another where the tetracene core is twisted and the overlap of neighboring π-conjugated backbones is completely disrupted. State-of-the-art electronic-structure calculations show for all isolated rubrene derivatives that the twisted conformation is more favorable (by -1.7 to -4.1 kcal mol-1), which is a consequence of energetically unfavorable exchange-repulsion interactions among the phenyl side groups. Calculations based on available crystallographic structures reveal that planar conformations of the tetracene core in the solid state result from intermolecular interactions that can be tuned through well-chosen functionalization of the phenyl side groups, and lead to improved intermolecular electronic couplings. Understanding the interplay of these intramolecular and intermolecular interactions provides insight into how to chemically modify rubrene and similar molecular semiconductors to improve the intrinsic materials electronic properties.
The Discovery of Gravitational Repulsion by Johannes Droste
McGruder, Charles Hosewell; VanDerMeer, B. Wieb
2018-01-01
In 1687 Newton published his universal law of gravitation, which states that the gravitational force is always attractive. This law is based on our terrestrial experience with slowly moving bodies (v Einstein completed his theory of general relativity (also referred to as Einstein’s Theory of Gravitation), which is valid not just for slowly moving bodies but also for those with relativistic velocities. In 1916 Johannes Droste submitted a PhD thesis on general relativity to his advisor, H.A. Lorentz. In it he calculated the motion of a particle in what he called a “single center” and today we call the Schwarzschild field and found that highly relativistic particles experience gravitational repulsion. Thus, his thesis written in Dutch and never before translated contains the discovery of gravitational repulsion. Because of its historical importance we translate the entire section of his thesis containing the discovery of gravitational repulsion. We also translate his thesis in the hope of clearing up a major historical misconception. Namely, that David Hilbert in 1917 discovered gravitational repulsion. In fact, Hilbert rediscovered it, apparently completely independent of Droste’s work. Finally we note that one of the biggest mysteries of astrophysics is the question of how highly energetic particles in relativistic jets and cosmic rays are accelerated. It has been suggested that gravitational repulsion is the mechanism responsible for these phenomena. An historical understanding of gravitational repulsion is therefore pertinent.
Influence of long-range Coulomb interaction in velocity map imaging.
Barillot, T; Brédy, R; Celep, G; Cohen, S; Compagnon, I; Concina, B; Constant, E; Danakas, S; Kalaitzis, P; Karras, G; Lépine, F; Loriot, V; Marciniak, A; Predelus-Renois, G; Schindler, B; Bordas, C
2017-07-07
The standard velocity-map imaging (VMI) analysis relies on the simple approximation that the residual Coulomb field experienced by the photoelectron ejected from a neutral or ion system may be neglected. Under this almost universal approximation, the photoelectrons follow ballistic (parabolic) trajectories in the externally applied electric field, and the recorded image may be considered as a 2D projection of the initial photoelectron velocity distribution. There are, however, several circumstances where this approximation is not justified and the influence of long-range forces must absolutely be taken into account for the interpretation and analysis of the recorded images. The aim of this paper is to illustrate this influence by discussing two different situations involving isolated atoms or molecules where the analysis of experimental images cannot be performed without considering long-range Coulomb interactions. The first situation occurs when slow (meV) photoelectrons are photoionized from a neutral system and strongly interact with the attractive Coulomb potential of the residual ion. The result of this interaction is the formation of a more complex structure in the image, as well as the appearance of an intense glory at the center of the image. The second situation, observed also at low energy, occurs in the photodetachment from a multiply charged anion and it is characterized by the presence of a long-range repulsive potential. Then, while the standard VMI approximation is still valid, the very specific features exhibited by the recorded images can be explained only by taking into consideration tunnel detachment through the repulsive Coulomb barrier.
Li, Ye; Yip, Wai Tak
2004-12-07
We employed negatively charged fluorescein (FL), positively charged rhodamine 6G (R6G), and neutral Nile Red (NR) as molecular probes to investigate the influence of Coulombic interaction on their deposition into and rotational mobility inside polyelectrolyte multilayer (PEM) films. The entrapment efficiency of the dyes reveals that while Coulombic repulsion has little effect on dye deposition, Coulombic attraction can dramatically enhance the loading efficiency of dyes into a PEM film. By monitoring the emission polarization of single dye molecules in polyethylenimine (PEI) films, the percentages of mobile R6G, NR, and FL were determined to be 87 +/- 4%, 76 +/- 5%, and 68 +/- 3%, respectively. These mobility distributions suggest that cationic R6G enjoys the highest degree of rotational freedom, whereas anionic FL shows the least mobility because of Coulombic attraction toward cationic PEI. Regardless of charges, this high percentage of mobile molecules is in stark contrast to the 5-40% probe mobility reported from spun-cast polymer films, indicating that our PEI films contain more free volume and display richer polymer dynamics. These observations demonstrate the potential of using isolated fluorescent probes to interrogate the internal structure of a PEM film at a microscopic level.
Exclusion of nuclear forces in heavy-ion Coulomb excitation and Coulomb fission experiments
International Nuclear Information System (INIS)
Neese, R.E.; Guidry, M.W.
1982-01-01
A simple prescription for estimating the energy at which nuclear forces begin to play a role in heavy-ion Coulomb excitation and Coulomb fission experiments is presented. The method differs from most commonly used recipes in accounting for projectile and target nucleus deformation effects. Using a single adjustable parameter the formula reproduces the energy for the onset of Coulomb-nuclear interference effects for a broad range of heavy-ion systems. It is suggested that most Coulomb fission experiments which have been done involve both Coulomb and nuclear excitation processes and should more properly be termed Coulomb-nuclear fission experiments
Coulomb potentials between spherical heavy ions
International Nuclear Information System (INIS)
Iwe, H.
1982-01-01
The Coulomb interaction between spherical nuclei having arbitrary radial nuclear charge distributions is calculated. All these realistic Coulomb potentials are given in terms of analytical expressions and are available for immediate application. So in no case a numerical computation of the Coulomb integral is required. The parameters of the charge distributions are taken from electron scattering analysis. The Coulomb self-energies of the charge distributions used are also calculated analytically in a closed form. For a number of nucleus-nucleus pairs, the Coulomb potentials derived from realistic charge distributions are compared with those normally used in various nucleus-nucleus optical model calculations. In this connection a detailed discussion of the problem how to choose consistently Coulomb parameters for different approximations is given. (orig.)
International Nuclear Information System (INIS)
Fan, J.D.; Malozovsky, Y.M.
2013-01-01
Highlights: • The sign reversal of pair interaction in momentum space is proved. • It is also shown that electron-phonon interaction in fact leads to the pairing-break effect. • Transition temperature into superconductivity depends on competition between electron-phonon and Coulomb interactions. • Calculated exponent α of the isotope effect shows the possibility equal to, greater or less than 0.5, and even negative. -- Abstract: Based on our previously proven theorem that the interaction between a pair of quasiparticles in the normal Fermi liquid has an opposite sign to the interaction between particles, we consider pair correlation between a pair of quasiparticles when the interaction between particles is repulsive. For the convenience of statements, we have presented in this article once again the proof of the theorem in terms of an exact equation for the thermodynamic potential due to interaction between particles and based on the Green’s function method. Further, we have derived the Landau expansion of the thermodynamic potentials in terms of the variation of the quasiparticle distribution function. We have also derived the expansion of the thermodynamic potential in terms of the variation of an exact single particle (not quasiparticles), these derivations lead to the relationship between the interaction function for two quasiparticles and the interaction energy between two particles as shown. According to the proven theorem the interaction between a pair of quasiparticles is attractive in this case, the pairing – Cooper’s pairing between a pair of quasiparticles is possible. We solve the Bethe–Salpeter type equation for paring of two quasiparticles when both interactions – the Coulomb repulsive and electron–phonon interaction are present. We show that the electron–phonon interaction, in fact, leads to the pair breaking effect, in contrast to the common belief that electron–phonon interaction is the main mechanism for Cooper’s pair
Coulomb blockade induced by magnetic field
International Nuclear Information System (INIS)
Kusmartsev, F.V.
1992-01-01
In this paper, the authors found that a Coulomb blockade can be induced by magnetic field. The authors illustrated this effect on the example of a ring consisting of two and many Josephson junctions. For the ring with two junctions we present an exact solution. The transition into Coulomb blockade state on a ring transforms into a linear array of Josephson junctions, although in latter case the effect of magnetic field disappears. In the state of Coulomb blockade the magnetization may be both diamagnetic and paramagnetic. The Coulomb blockade may also be removed by external magnetic field
Evaluation of the Coulomb logarithm using cutoff and screened Coulomb interaction potentials
International Nuclear Information System (INIS)
Ordonez, C.A.; Molina, M.I.
1994-01-01
The Coulomb logarithm is a fundamental plasma parameter which is commonly derived within the framework of the binary collision approximation. The conventional formula for the Coulomb logarithm, λ=ln Λ, takes into account a pure Coulomb interaction potential for binary collisions and is not accurate at small values (λ D in place of λ D (the Debye length) in the conventional formula for the Coulomb logarithm
Czech Academy of Sciences Publication Activity Database
Anisimov, V.I.; Korotin, D. M.; Korotin, M. A.; Kozhevnikov, A, V.; Kuneš, Jan; Shorikov, A.O.; Skornyakov, S.L.; Streltsov, S. V.
2009-01-01
Roč. 21, č. 7 (2009), 075602/1-075602/7 ISSN 0953-8984 Institutional research plan: CEZ:AV0Z10100521 Keywords : iron pnictide * electronic correlations * dynamical mean-field theory Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.964, year: 2009
Francisco Sánchez-Royo, Juan
2012-12-01
The two-dimensional conducting properties of the Si(111) \\sqrt {3} \\times \\sqrt {3} surface doped by the charge surface transfer mechanism have been calculated in the frame of a semiclassical Drude-Boltzmann model considering donor scattering mechanisms. To perform these calculations, the required values of the carrier effective mass were extracted from reported angle-resolved photoemission results. The calculated doping dependence of the surface conductance reproduces experimental results reported and reveals an intricate metallization process driven by disorder and assisted by interband interactions. The system should behave as an insulator even at relatively low doping due to disorder. However, when doping increases, the system achieves to attenuate the inherent localization effects introduced by disorder and to conduct by percolation. The mechanism found by the system to conduct appears to be connected with the increasing of the carrier effective mass observed with doping, which seems to be caused by interband interactions involving the conducting band and deeper ones. This mass enhancement reduces the donor Bohr radius and, consequently, promotes the screening ability of the donor potential by the electron gas.
Modulation of repulsive forces between neurofilaments by sidearm phosphorylation
International Nuclear Information System (INIS)
Kumar, Sanjay; Hoh, Jan H.
2004-01-01
Recent studies have advanced the notion that the axonal organization of neurofilaments (NFs) is based on mutual steric repulsion between the unstructured 'sidearm' domains of adjacent NFs. Here, we present experimental evidence that these repulsive forces are modulated by the degree of sidearm phosphorylation. When NFs are sedimented into a gelatinous pellet, pellet volume falls with increasing ionic strength and enzymatic dephosphorylation; sedimentation of phosphorylated NFs in the presence of divalent cations also dramatically reduces pellet volume. Further, atomic force microscopy imaging of isolated mammalian NFs reveals robust exclusion of colloidal particles from the NF backbone that is reduced at high ionic strength and attenuated when the filaments are enzymatically dephosphorylated. Phosphate-phosphate repulsion on the NF sidearm appears to modulate NF excluded volume in a graded fashion, thereby controlling axonal NF organization through interfilament forces
Repulsive gravitational forces: A possible mechanism for clustering
International Nuclear Information System (INIS)
Eisenstaedt, J.
1977-01-01
It is well known that, in a homogeneous cosmological universe, a positive cosmological constant induces repulsive forces. We show here that in a locally inhomogeneous cosmological model these repulsive forces are related to the sign of q, the deceleration parameter of the associated cosmological space, and to the sign of m, the apparent mass of the central perturbation (which can be negative with a positive energy density everywhere). When q is almost zero--crossing the value zero--small random perturbations of the matter density are the sources of a gravitational instability which can generate a mechanism of fragmentation in an a priori homogeneous universe
Repulsive Casimir-Polder potential by a negative reflecting surface
Yuan, Qi-Zhang
2015-07-01
We present a scheme to generate an all-range long repulsive Casimir-Polder potential between a perfect negative reflecting surface and a ground-state atom. The repulsive potential is stable and does not decay with time. The Casimir-Polder potential is proportional to z-2 at short atom-surface distances and to z-4 at long atom-surface distances. Because of these advantages, this potential can help in building quantum reflectors, quantum levitating devices, and waveguides for matter waves.
Repulsive Casimir force in Bose–Einstein Condensate
Mehedi Faruk, Mir; Biswas, Shovon
2018-04-01
We study the Casimir effect for a three dimensional system of ideal free massive Bose gas in a slab geometry with Zaremba and anti-periodic boundary conditions. It is found that for these type of boundary conditions the resulting Casimir force is repulsive in nature, in contrast with usual periodic, Dirichlet or Neumann boundary condition where the Casimir force is attractive (Martin and Zagrebnov 2006 Europhys. Lett. 73 15). Casimir forces in these boundary conditions also maintain a power law decay function below condensation temperature and exponential decay function above the condensation temperature albeit with a positive sign, identifying the repulsive nature of the force.
Viscoelastic properties of attractive and repulsive colloidal glasses
International Nuclear Information System (INIS)
Puertas, Antonio M; Zaccarelli, Emanuela; Sciortino, Francesco
2005-01-01
We report a numerical study of the shear viscosity and the frequency dependent elastic moduli close to dynamical arrest for a model of short range attractive colloids, both for the repulsive and the attractive glass transition. Calculating the stress autocorrelation functions, we find that density fluctuations of wavevectors close to the first peak in the structure factor control the viscosity rise on approaching the repulsive glass, while fluctuations of larger wavevectors control the viscosity close to the attractive glass. On approaching the glass transition, the viscosity diverges with a power law with the same exponent as the density autocorrelation time. (letter to the editor)
Cucker-Smale Flocking with Bounded Cohesive and Repulsive Forces
Directory of Open Access Journals (Sweden)
Qiang Song
2013-01-01
Full Text Available This paper proposes two Cucker-Smale-type flocking models by introducing both cohesive and repulsive forces to second-order multiagent systems. Under some mild conditions on the initial state of the flocking system, it is shown that the velocity consensus of the agents can be reached independent of the parameter which describes the decay of communication rates. In particular, the collision between any two agents can always be avoided by designing an appropriate bounded repulsive function based on the initial energy of the flock. Numerical examples are given to demonstrate the effectiveness of the theoretical analysis.
Coulomb Effects in Few-Body Reactions
Directory of Open Access Journals (Sweden)
Deltuva A.
2010-04-01
Full Text Available The method of screening and renormalization is used to include the Coulomb interaction between the charged particles in the momentum-space description of three- and four-body nuclear reactions. The necessity for the renormalization of the scattering amplitudes and the reliability of the method is demonstrated. The Coulomb eﬀect on observables is discussed.
Coulomb dissociation of N-20,N-21
Roeder, Marko; Adachi, Tatsuya; Aksyutina, Yulia; Alcantara, Juan; Altstadt, Sebastian; Alvarez-Pol, Hector; Ashwood, Nicholas; Atar, Leyla; Aumann, Thomas; Avdeichikov, Vladimir; Barr, M.; Beceiro, Saul; Bemmerer, Daniel; Benlliure, Jose; Bertulani, Carlos; Boretzky, Konstanze; Borge, Maria J. G.; Burgunder, G.; Caamano, Manuel; Caesar, Christoph; Casarejos, Enrique; Catford, Wilton; Cederkall, Joakim; Chakraborty, S.; Chartier, Marielle; Chulkov, Leonid; Cortina-Gil, Dolores; Crespo, Raquel; Pramanik, Ushasi Datta; Diaz-Fernandez, Paloma; Dillmann, Iris; Elekes, Zoltan; Enders, Joachim; Ershova, Olga; Estrade, A.; Farinon, F.; Fraile, Luis M.; Freer, Martin; Freudenberger, M.; Fynbo, Hans; Galaviz, Daniel; Geissel, Hans; Gernhaeuser, Roman; Goebel, Kathrin; Kalantar-Nayestanaki, Nasser; Najafi, Mohammad Ali; Rigollet, Catherine; Stoica, V.; Streicher, Branislav; Van de Walle, J.
2016-01-01
Neutron-rich light nuclei and their reactions play an important role in the creation of chemical elements. Here, data from a Coulomb dissociation experiment on N-20,N-21 are reported. Relativistic N-20,N-21 ions impinged on a lead target and the Coulomb dissociation cross section was determined in a
Mechanism of Intermolecular Electron Transfer in Bionanostructures
Gruodis, A.; Galikova, N.; Šarka, K.; Saulė, R.; Batiuškaitė, D.; Saulis, G.
Hepatocellular carcinoma (HCC) is one of the most common malignant tumors worldwide. Most patients are inoperable and hepatoma cells are resistant to conventional chemotherapies. Thus, the development of novel therapies for HCC treatment is of paramount importance. Amongst different alimentary factors, vitamin C and vitamin K3 In the present work, it has been shown that the treatment of mouse hepatoma MH-22A cells by vitamin C and vitamin K3 at the ratio of 100:1 greatly enhanced their cytotoxicity. When cells were subjected to vitamin C at 200 μM or to vitamin K3 at 2 μM separately, their viability reduced by only about 10%. However, when vitamins C and K3 were combined at the same concentrations, they killed more than 90% of cells. To elucidate the mechanism of the synergistic cytotoxicity of the C&K3 mixture, theoretical quantum-chemical analysis of the dynamics of intermolecular electron transfer (IET) processes within the complexes containing C (five forms) and K3 (one form) has been carried out. Optimization of the ground state complex geometry has been provided by means of GAUSSIAN03 package. Simulation of the IET has been carried out using NUVOLA package, in the framework of molecular orbitals (MO). The rate of IET has been calculated using Fermi Golden rule. The results of simulations allow us to create the preliminary model of the reaction pathway.
Intermolecular interaction studies of glyphosate with water
Manon, Priti; Juglan, K. C.; Kaur, Kirandeep; Sethi, Nidhi; Kaur, J. P.
2017-07-01
The density (ρ), viscosity (η) and ultrasonic velocity (U) of glyphosate with water have been measured on different ultrasonic frequency ranges from 1MHz, 2MHz, 3MHz & 5MHz by varying concentrations (0.05%, 0.10%, 0.15%, 0.20%, 0.25%, 0.30%, 0.35%, & 0.40%) at 30°C. The specific gravity bottle, Ostwald's viscometer and quartz crystal interferometer were used to determine density (ρ), viscosity (η) and ultrasonic velocity (U). These three factors contribute in evaluating the other parameters as acoustic impedance (Z), adiabatic compressibility (β), relaxation time (τ), intermolecular free length (Lf), free volume (Vf), ultrasonic attenuation (α/f2), Rao's constant (R), Wada's constant (W) and relative strength (R). Solute-solvent interaction is confirmed by ultrasonic velocity and viscosity values, which increases with increase in concentration indicates stronger association between solute and solvent molecules. With rise in ultrasonic frequency the interaction between the solute and solvent particles decreases. The linear variations in Rao's constant and Wada's constant suggest the absence of complex formation.
Coulomb correction calculations of pp Bremsstrahlung
International Nuclear Information System (INIS)
Katsogiannis, A.; Amos, K.; Jetter, M.; von Geramb, H.V.
1994-01-01
The effects of the Coulomb interaction upon the photon cross section and analyzing power from pp Bremsstrahlung have been studied in detail. Off-shell properties of the Coulomb T matrices have been considered but the associated, Coulomb modified, hadronic T matrices are important elements in any analyses of low energy, forward proton scattering data. At the lowest energy considered (5 MeV), the full calculations gave cross sections that were half the size of those found without Coulomb effects or with a simple model approximation to them. With increasing energy, the cross sections varied to those characteristic of magnetic interaction dominance and the specific differences due to Coulomb effects diminished. 47 refs., 7 figs
Coulomb string tension, asymptotic string tension, and the gluon chain
Greensite, Jeff; Szczepaniak, Adam P.
2014-01-01
We compute, via numerical simulations, the non-perturbative Coulomb potential of pure SU(3) gauge theory in Coulomb gauge. We find that that the Coulomb potential scales nicely in accordance with asymptotic freedom, that the Coulomb potential is linear in the infrared, and that the Coulomb string tension is about four times larger than the asymptotic string tension. We explain how it is possible that the asymptotic string tension can be lower than the Coulomb string tension by a factor of four.
Cobo-Lopez, Sergio; Saeed Bahramy, Mohammad; Arita, Ryotaro; Akbari, Alireza; Eremin, Ilya
2018-04-01
We develop the realistic minimal electronic model for recently discovered BiS2 superconductors including the spin–orbit (SO) coupling based on the first-principles band structure calculations. Due to strong SO coupling, characteristic for the Bi-based systems, the tight-binding low-energy model necessarily includes p x , p y , and p z orbitals. We analyze a potential Cooper-pairing instability from purely repulsive interaction for the moderate electronic correlations using the so-called leading angular harmonics approximation. For small and intermediate doping concentrations we find the dominant instabilities to be {d}{x2-{y}2}-wave, and s ±-wave symmetries, respectively. At the same time, in the absence of the sizable spin fluctuations the intra and interband Coulomb repulsions are of the same strength, which yield the strongly anisotropic behavior of the superconducting gaps on the Fermi surface. This agrees with recent angle resolved photoemission spectroscopy findings. In addition, we find that the Fermi surface topology for BiS2 layered systems at large electron doping can resemble the doped iron-based pnictide superconductors with electron and hole Fermi surfaces maintaining sufficient nesting between them. This could provide further boost to increase T c in these systems.
An Adaptation-Induced Repulsion Illusion in Tactile Spatial Perception
Directory of Open Access Journals (Sweden)
Lux Li
2017-06-01
Full Text Available Following focal sensory adaptation, the perceived separation between visual stimuli that straddle the adapted region is often exaggerated. For instance, in the tilt aftereffect illusion, adaptation to tilted lines causes subsequently viewed lines with nearby orientations to be perceptually repelled from the adapted orientation. Repulsion illusions in the nonvisual senses have been less studied. Here, we investigated whether adaptation induces a repulsion illusion in tactile spatial perception. In a two-interval forced-choice task, participants compared the perceived separation between two point-stimuli applied on the forearms successively. Separation distance was constant on one arm (the reference and varied on the other arm (the comparison. In Experiment 1, we took three consecutive baseline measurements, verifying that in the absence of manipulation, participants’ distance perception was unbiased across arms and stable across experimental blocks. In Experiment 2, we vibrated a region of skin on the reference arm, verifying that this focally reduced tactile sensitivity, as indicated by elevated monofilament detection thresholds. In Experiment 3, we applied vibration between the two reference points in our distance perception protocol and discovered that this caused an illusory increase in the separation between the points. We conclude that focal adaptation induces a repulsion aftereffect illusion in tactile spatial perception. The illusion provides clues as to how the tactile system represents spatial information. The analogous repulsion aftereffects caused by adaptation in different stimulus domains and sensory systems may point to fundamentally similar strategies for dynamic sensory coding.
Quest for Casimir repulsion between Chern-Simons surfaces
Fialkovsky, Ignat; Khusnutdinov, Nail; Vassilevich, Dmitri
2018-04-01
In this paper we critically reconsider the Casimir repulsion between surfaces that carry the Chern-Simons interaction (corresponding to the Hall-type conductivity). We present a derivation of the Lifshitz formula valid for arbitrary planar geometries and discuss its properties. This analysis allows us to resolve some contradictions in the previous literature. We compute the Casimir energy for two surfaces that have constant longitudinal and Hall conductivities. The repulsion is possible only if both surfaces have Hall conductivities of the same sign. However, there is a critical value of the longitudinal conductivity above which the repulsion disappears. We also consider a model where both parity odd and parity even terms in the conductivity are produced by the polarization tensor of surface modes. In contrast to the previous publications [L. Chen and S.-L. Wan, Phys. Rev. B 84, 075149 (2011), 10.1103/PhysRevB.84.075149; Phys. Rev. B 85, 115102 (2012), 10.1103/PhysRevB.85.115102], we include the parity anomaly term. This term ensures that the conductivities vanish for infinitely massive surface modes. We find that at least for a single mode, regardless of the sign and value of its mass, there is no Casimir repulsion.
Melting-curve extrema from a repulsive ''step'' potential
International Nuclear Information System (INIS)
Young, D.A.; Alder, B.J.
1977-01-01
Molecular dynamics calculations in two dimensions for particles interacting with a repulsive ''step'' potential show melting-curve maxima and minima as well as solid-solid phase transitions. These features are similar to those observed in the phase diagram of cesium and cerium
The Role of Repulsion in Colloidal Crystal Engineering with DNA
Energy Technology Data Exchange (ETDEWEB)
Seo, Soyoung E. [Department; Li, Tao [X-ray; Senesi, Andrew J. [X-ray; Mirkin, Chad A. [Department; Lee, Byeongdu [X-ray
2017-11-07
Hybridization interactions between DNA-functionalized nanoparticles (DNA-NPs) can be used to program the crystallization behavior of superlattices, yielding access to complex three-dimensional structures with more than 30 different lattice symmetries. The first superlattice structures using DNA-NPs as building blocks were identified almost two decades ago, yet the role of repulsive interactions in guiding structure formation is still largely unexplored. Here, a com-prehensive approach is taken to study the role of repulsion in the assembly behavior of DNA-NPs, enabling the calculation of interparticle interaction potentials based on experimental results. In this work, we used two different means to assemble DNA-NPs—Watson-Crick base pairing interactions and depletion interactions—and systematically varied the salt concen-tration to study the effective interactions in DNA-NP superlattices. A comparison between the two systems allows us to decouple the repulsive forces from the attractive hybridization interactions that are sensitive to the ionic environment. We find that the gap distance between adjacent DNA-NPs follows a simple power law dependence on solution ionic strength regardless of the type of attractive forces present. This result suggests that the observed trend is driven by repulsive inter-actions. To better understand such behavior, we propose a mean-field model that provides a mathematical description for the observed trend. This model shows that the trend is due to the variation in the effective cross-sectional diameter of DNA duplex and the thickness of DNA shell.
Spontaneous symmetry breaking in vortex systems with two repulsive lengthscales.
Curran, P J; Desoky, W M; Milosević, M V; Chaves, A; Laloë, J-B; Moodera, J S; Bending, S J
2015-10-23
Scanning Hall probe microscopy (SHPM) has been used to study vortex structures in thin epitaxial films of the superconductor MgB2. Unusual vortex patterns observed in MgB2 single crystals have previously been attributed to a competition between short-range repulsive and long-range attractive vortex-vortex interactions in this two band superconductor; the type 1.5 superconductivity scenario. Our films have much higher levels of disorder than bulk single crystals and therefore both superconducting condensates are expected to be pushed deep into the type 2 regime with purely repulsive vortex interactions. We observe broken symmetry vortex patterns at low fields in all samples after field-cooling from above Tc. These are consistent with those seen in systems with competing repulsions on disparate length scales, and remarkably similar structures are reproduced in dirty two band Ginzburg-Landau calculations, where the simulation parameters have been defined by experimental observations. This suggests that in our dirty MgB2 films, the symmetry of the vortex structures is broken by the presence of vortex repulsions with two different lengthscales, originating from the two distinct superconducting condensates. This represents an entirely new mechanism for spontaneous symmetry breaking in systems of superconducting vortices, with important implications for pinning phenomena and high current density applications.
Mode repulsion of ultrasonic guided waves in rails
CSIR Research Space (South Africa)
Loveday, Philip W
2018-03-01
Full Text Available . The modes can therefore be numbered in the same way that Lamb waves in plates are numbered, making it easier to communicate results. The derivative of the eigenvectors with respect to wavenumber contains the same repulsion term and shows how the mode shapes...
Repulsive Casimir force from fractional Neumann boundary conditions
International Nuclear Information System (INIS)
Lim, S.C.; Teo, L.P.
2009-01-01
This Letter studies the finite temperature Casimir force acting on a rectangular piston associated with a massless fractional Klein-Gordon field at finite temperature. Dirichlet boundary conditions are imposed on the walls of a d-dimensional rectangular cavity, and a fractional Neumann condition is imposed on the piston that moves freely inside the cavity. The fractional Neumann condition gives an interpolation between the Dirichlet and Neumann conditions, where the Casimir force is known to be always attractive and always repulsive respectively. For the fractional Neumann boundary condition, the attractive or repulsive nature of the Casimir force is governed by the fractional order which takes values from zero (Dirichlet) to one (Neumann). When the fractional order is larger than 1/2, the Casimir force is always repulsive. For some fractional orders that are less than but close to 1/2, it is shown that the Casimir force can be either attractive or repulsive depending on the aspect ratio of the cavity and the temperature.
The similarity of attractive and repulsive forces on a lattice
Mirahmadi, Marjan-S.; Fatollahi, Amir H.; Khorrami, Mohammad
2015-07-01
On a lattice, as the momentum space is compact, the kinetic energy is bounded not only from below but also from above. It is shown that this somehow removes the distinction between repulsive and attractive forces. In particular, it is seen that a region with attractive force would appear forbidden for states with energies higher than a certain value, while repulsive forces could develop bound-states. An explicit transformation is introduced which transforms the spectrum of a system corresponding to a repulsive force, to that of a similar system corresponding to an attractive force. Explicit numerical examples are presented for discrete energies of bound-states of a particle experiencing repulsive force by a piecewise constant potential. Finally, the parameters of a specific one-dimensional (1D) translationally invariant system on continuum are tuned so that the energy of the system resembles the kinetic energy of a system on a 1D lattice. In particular, the parameters are tuned so that while the width of the first energy band and its position are kept finite, the gap between the first energy band and the next energy band goes to infinity, so that effectively only the first energy band is relevant.
Measuring Intermolecular Binding Energies by Laser Spectroscopy.
Knochenmuss, Richard; Maity, Surajit; Féraud, Géraldine; Leutwyler, Samuel
2017-02-22
The ground-state dissociation energy, D0(S0), of isolated intermolecular complexes in the gas phase is a fundamental measure of the interaction strength between the molecules. We have developed a three-laser, triply resonant pump-dump-probe technique to measure dissociation energies of jet-cooled M•S complexes, where M is an aromatic chromophore and S is a closed-shell 'solvent' molecule. Stimulated emission pumping (SEP) via the S0→S1 electronic transition is used to precisely 'warm' the complex by populating high vibrational levels v" of the S0 state. If the deposited energy E(v") is less than D0(S0), the complex remains intact, and is then mass- and isomer-selectively detected by resonant two-photon ionization (R2PI) with a third (probe) laser. If the pumped level is above D0(S0), the hot complex dissociates and the probe signal disappears. Combining the fluorescence or SEP spectrum of the cold complex with the SEP breakoff of the hot complex brackets D0(S0). The UV chromophores 1-naphthol and carbazole were employed; these bind either dispersively via the aromatic rings, or form a hydrogen bond via the -OH or -NH group. Dissociation energies have been measured for dispersively bound complexes with noble gases (Ne, Kr, Ar, Xe), diatomics (N2, CO), alkanes (methane to n-butane), cycloalkanes (cyclopropane to cycloheptane), and unsaturated compounds (ethene, benzene). Hydrogen-bond dissociation energies have been measured for H2O, D2O, methanol, ethanol, ethers (oxirane, oxetane), NH3 and ND3.
All rights reserved Intermolecular Model Potentials and Virial ...
African Journals Online (AJOL)
ADOWIE PERE
Intermolecular Model Potentials and Virial Coefficients from Acoustic Data. 1* ... method of cluster expansion. Its merit is that, ... their determination is by the analyses of isothermal p- ρ-y data ... Carlo simulation method to calculate volumetric.
He-, Ne-, and Ar-phosgene intermolecular potential energy surfaces
DEFF Research Database (Denmark)
Munteanu, Cristian R.; Henriksen, Christian; Felker, Peter M.
2013-01-01
Using the CCSD(T) model, we evaluated the intermolecular potential energy surfaces of the He-, Ne-, and Ar-phosgene complexes. We considered a representative number of intermolecular geometries for which we calculated the corresponding interaction energies with the augmented (He complex) and doub...... of the complexes, providing valuable results for future experimental investigations. Comparing our results to those previously available for other phosgene complexes, we suggest that the results for Cl2-phosgene should be revised....
Martinez, Antonio; Barker, John R; Di Prieto, Riccardo
2018-06-13
A methodology describing Coulomb blockade in the Non-equilibrium Green Function formalism is presented. We carried out ballistic and dissipative simulations through a 1D quantum dot using an Einstein phonon model. Inelastic phonons with different energies have been considered. The methodology incorporates the short-range Coulomb interaction between two electrons through the use of a two-particle Green's function. Unlike previous work, the quantum dot has spatial resolution i.e. it is not just parameterized by the energy level and coupling constants of the dot. Our method intends to describe the effect of electron localization while maintaining an open boundary or extended wave function. The formalism conserves the current through the nanostructure. A simple 1D model is used to explain the increase of mobility in semi-crystalline polymers as a function of the electron concentration. The mechanism suggested is based on the lifting of energy levels into the transmission window as a result of the local electron-electron repulsion inside a crystalline domain. The results are aligned with recent experimental findings. Finally, as a proof of concept, we present a simulation of a low temperature resonant structure showing the stability diagram in the Coulomb blockade regime. . © 2018 IOP Publishing Ltd.
Resolution of identity approximation for the Coulomb term in molecular and periodic systems
Burow, Asbjörn M.; Sierka, Marek; Mohamed, Fawzi
2009-12-01
A new formulation of resolution of identity approximation for the Coulomb term is presented, which uses atom-centered basis and auxiliary basis functions and treats molecular and periodic systems of any dimensionality on an equal footing. It relies on the decomposition of an auxiliary charge density into charged and chargeless components. Applying the Coulomb metric under periodic boundary conditions constrains the explicit form of the charged part. The chargeless component is determined variationally and converged Coulomb lattice sums needed for its determination are obtained using chargeless linear combinations of auxiliary basis functions. The lattice sums are partitioned in near- and far-field portions which are treated through an analytical integration scheme employing two- and three-center electron repulsion integrals and multipole expansions, respectively, operating exclusively in real space. Our preliminary implementation within the TURBOMOLE program package demonstrates consistent accuracy of the method across molecular and periodic systems. Using common auxiliary basis sets the errors of the approximation are small, in average about 20 μhartree per atom, for both molecular and periodic systems.
Coulomb drag in the mesoscopic regime
DEFF Research Database (Denmark)
Mortensen, N. Asger; Flensberg, Karsten; Jauho, Antti-Pekka
2002-01-01
We present a theory for Coulomb drug between two mesoscopic systems which expresses the drag in terms of scattering matrices and wave functions. The formalism can be applied to both ballistic and disordered systems and the consequences can be studied either by numerical simulations or analytic...... means such as perturbation theory or random matrix theory. The physics of Coulomb drag in the mesoscopic regime is very different from Coulomb drag between extended electron systems. In the mesoscopic regime we in general find fluctuations of the drag comparable to the mean value. Examples are vanishing...
Coulomb interaction in the supermultiplet basis
International Nuclear Information System (INIS)
Ruzha, Ya.Kh.; Guseva, T.V.; Tamberg, Yu.Ya.; Vanagas, V.V.
1989-01-01
An approximate expression for the matrix elements of the Coulomb interaction operator in the supermultiplet basis has been derived with the account for the orbitally-nonsymmetric terms. From the general expression a simplified formula for the Coulomb interaction energy has been proposed. On the basis of the expression obtained the contribution of the Coulomb interaction to the framework of a strongly restricted dynamic model in the light (4≤A≤40) and heavy (158≤A≤196) nuclei region has been studied. 19 refs.; 4 tabs
Coulomb drag in the mesoscopic regime
DEFF Research Database (Denmark)
Mortensen, N.A.; Flensberg, Karsten; Jauho, Antti-Pekka
2002-01-01
We present a theory for Coulomb drag between two mesoscopic systems which expresses the drag in terms of scattering matrices and wave functions. The formalism can be applied to both ballistic and disordered systems and the consequences can be studied either by numerical simulations or analytic...... means such as perturbation theory or random matrix theory. The physics of Coulomb drag in the mesoscopic regime is very different from Coulomb drag between extended electron systems. In the mesoscopic regime we in general find fluctuations of the drag comparable to the mean value. Examples are vanishing...
Selfconsistent theory of Coulomb mixing in nuclei
International Nuclear Information System (INIS)
Pyatov, N.I.
1978-01-01
The theory of isobaric states is considered according to the Coulomb mixing in nuclei. For a given form of the isovestor potential the separable residual interactions are constructed by means of the isotopic invariance principle. The strength parameter of the force is found from a selfconsistency condition. The charge dependent force is represented by the Coulomb effective potential. The theory of the isobaric states is developed using the random phase approximation. The Coulomb mixing effects in the ground and isobaric 0 + states of even-mass nuclei are investigated
The eikonal phase of supersymmetric Coulomb partners
Lassaut, M; Lombard, R J
1998-01-01
We investigate the eikonal phase and its systematic corrections for the two supersymmetric Coulomb partners V sub 1 and V sub 2 derived by Amado. Apart from a constant shift of -pi for V sub 1 and -2 pi for V sub 2 , the eikonal phase decay to the eikonal phase of the Coulomb potential as 1/kb. For the potential V sub 2 , which is phase equivalent to the Coulomb potential, this result is only valid at b approx =0 and asymptotically; in the intermediate range, it constitutes a lower limit. (author)
On the Coulomb displacement energy
International Nuclear Information System (INIS)
Sato, H.
1976-01-01
The Coulomb displacement energies of the T=1/2 mirror nuclei (A=15,17,27,29,31,33,39 and 41) are re-examined with the best available HF wave functions (the DME and the Skyrme II interaction), with the inclusion of all electromagnetic corrections. The results are compared with the experimental s.p. charge dependent energies extracted from the experimental data taking into account admixtures of core-excitation corrections with the help of present shell-model and co-existence model calculations. Although the so-called Nolen-Schiffer anomaly is not removed by these improvements, it is found that the remaining observed anomalies in the ground states of s.p. and s.h. systems can be resolved with the introduction of a simple, phenomenological charge symmetry breaking nucleon-nucleon force. This force can also account for the observed anomalies in the higher excited s.p. states, while those of the deeper s.h. states need further explanation. (Auth.)
Argon intermolecular potential from a measurement of the total scattering cross-section
International Nuclear Information System (INIS)
Wong, Y.W.
1975-01-01
An inversion method to obtain accurate intermolecular potentials from experimental total cross section measurements is presented. This method is based on the high energy Massey--Smith approximation. The attractive portion of the potential is represented by a multi-parameter spline function and the repulsive part by a Morse function. The best fit potential is obtained by a least squares minimization based on comparison of experimental cross sections with those obtained by a Fourier transform of the reduced Massey--Smith phase shift curve. An experimental method was developed to obtain the total cross sections needed for the above inversion procedure. In this technique, integral cross sections are measured at various resolutions and the total cross section is obtained by extrapolating to infinite resolution. Experimental results obtained for the Ar--Ar system are in excellent agreement with total cross sections calculated using the Barker-Fisher-Watts potential. Inversion of the data to obtain a potential distinguishable from the BFW-potential requires an extension of the method based on the Massey--Smith approximation to permit use of JWKB phase shifts and was not attempted
Coulomb effects in particle distributions inclusive
International Nuclear Information System (INIS)
Erazmus, B.; Martin, L.; Pluta, J.; Stavinky, A.
1997-01-01
Single pion distributions from central 158 A.GeV/c Pb + Pb collisions measured by the NA44 experiment show the effect of Coulomb interaction with the net charge produced during the reaction. Coulomb effects are analyzed with the help of the microscopic model RQMD and a model including the Coulomb interaction. Different sets of kinematical characteristics of the net charge have been used to reproduce the experimental data and a strong sensitivity to the charge value has been found. This study has evidenced the non-negligible influence of a Coulomb charge, present in the region of the central rapidity in heavy ion collisions on the inclusive distributions of the produced particles. A more thorough analysis of the data obtained from the experiment NA44 is now under way to take into account the hyperon decay that can modify the fraction of different particles, particularly at low transverse momenta
Structure and Spectrum of Dust Coulomb Clusters
International Nuclear Information System (INIS)
Cheung, F.M.H.; Ford, C.; Barkby, S.; Samarian, A.A.; Vladimirov, S.V.
2005-01-01
In our study, the dynamics of Coulomb cluster systems were simulated for different number of particles. The spectra of energy states of dust Coulomb clusters corresponding to various packing sequences were obtained. The broadening of the spectrum due to inter-ring twist was discovered. It was found that the inter-ring twist will lead to a change in the energy spectrum of Coulomb cluster. This change was accompanied by a distortion of stable shells such that particles are able to compensate for any additional Coulomb energy (owing to the inter-ring twist) by further reducing their radial distance as much as possible. The overall effect is a change in the shape of the outer-shell from circular to elliptical
Experiments on Coulomb ionization by charged particles
International Nuclear Information System (INIS)
Andersen, J.U.; Laegsgaard, E.; Lund, M.
1978-01-01
Inner-shell ionization by light projectiles, i.e., in very asymmetric collisions, is often denoted 'Coulomb ionization' because it is caused by the Coulomb interaction between the electron and the projectile. Although with little justification, the term is also used to distinquish such processes, in which the projectile Coulomb field is a small perturbation, from ionization in more violent, nearly symmetric ion-atom collisions. A discussion of Coulomb ionization of atomic K shells is given, with emphasis on experimental methods and results. The discussion is not intended as a review of the field but rather as a progress report on the anthor's work on the subject. A more detailed account was recently presented at the ICPEAC meeting in Paris. (Auth.)
Classical- and quantum mechanical Coulomb scattering
International Nuclear Information System (INIS)
Gratzl, W.
1987-01-01
Because in textbooks the quantum mechanical Coulomb scattering is either ignored or treated unsatisfactory, the present work attempts to present a physically plausible, mathematically correct but elementary treatment in a way that it can be used in textbooks and lectures on quantum mechanics. Coulomb scattering is derived as a limiting case of a screened Coulomb potential (finite range) within a time dependent quantum scattering theory. The difference in the asymptotic conditions for potentials of finite versus infinite range leads back to the classical Coulomb scattering. In the classical framework many concepts of the quantum theory can be introduced and are useful in an intuitive understanding of the quantum theory. The differences between classical and quantum scattering theory are likewise useful for didactic purposes. (qui)
Czyznikowska, Z; Góra, R W; Zaleśny, R; Lipkowski, P; Jarzembska, K N; Dominiak, P M; Leszczynski, J
2010-07-29
A set of nearly 100 crystallographic structures was analyzed using ab initio methods in order to verify the effect of the conformational variability of Watson-Crick guanine-cytosine and adenine-thymine base pairs on the intermolecular interaction energy and its components. Furthermore, for the representative structures, a potential energy scan of the structural parameters describing mutual orientation of the base pairs was carried out. The results were obtained using the hybrid variational-perturbational interaction energy decomposition scheme. The electron correlation effects were estimated by means of the second-order Møller-Plesset perturbation theory and coupled clusters with singles and doubles method adopting AUG-cc-pVDZ basis set. Moreover, the characteristics of hydrogen bonds in complexes, mimicking those appearing in B-DNA, were evaluated using topological analysis of the electron density. Although the first-order electrostatic energy is usually the largest stabilizing component, it is canceled out by the associated exchange repulsion in majority of the studied crystallographic structures. Therefore, the analyzed complexes of the nucleic acid bases appeared to be stabilized mainly by the delocalization component of the intermolecular interaction energy which, in terms of symmetry adapted perturbation theory, encompasses the second- and higher-order induction and exchange-induction terms. Furthermore, it was found that the dispersion contribution, albeit much smaller in terms of magnitude, is also a vital stabilizing factor. It was also revealed that the intermolecular interaction energy and its components are strongly influenced by four (out of six) structural parameters describing mutual orientation of bases in Watson-Crick pairs, namely shear, stagger, stretch, and opening. Finally, as a part of a model study, much of the effort was devoted to an extensive testing of the UBDB databank. It was shown that the databank quite successfully reproduces the
International Nuclear Information System (INIS)
Tang, Chun; Clore, G. Marius
2006-01-01
A simple and reliable approach for docking protein-protein complexes from very sparse NOE-derived intermolecular distance restraints (as few as three from a single point) in combination with a novel representation for an attractive potential between mapped interaction surfaces is described. Unambiguous assignments of very sparse intermolecular NOEs are obtained using a reverse labeling strategy in which one the components is fully deuterated with the exception of selective protonation of the δ-methyl groups of isoleucine, while the other component is uniformly 13 C-labeled. This labeling strategy can be readily extended to selective protonation of Ala, Leu, Val or Met. The attractive potential is described by a 'reduced' radius of gyration potential applied specifically to a subset of interfacial residues (those with an accessible surface area ≥ 50% in the free proteins) that have been delineated by chemical shift perturbation. Docking is achieved by rigid body minimization on the basis of a target function comprising the sparse NOE distance restraints, a van der Waals repulsion potential and the 'reduced' radius of gyration potential. The method is demonstrated for two protein-protein complexes (EIN-HPr and IIA Glc -HPr) from the bacterial phosphotransferase system. In both cases, starting from 100 different random orientations of the X-ray structures of the free proteins, 100% convergence is achieved to a single cluster (with near identical atomic positions) with an overall backbone accuracy of ∼2 A. The approach described is not limited to NMR, since interfaces can also be mapped by alanine scanning mutagenesis, and sparse intermolecular distance restraints can be derived from double cycle mutagenesis, cross-linking combined with mass spectrometry, or fluorescence energy transfer
Energy Technology Data Exchange (ETDEWEB)
Tang, Chun; Clore, G. Marius [National Institutes of Health, Laboratory of Chemical Physics, National Institute of Diabetes and Digestive and Kidney Diseases (United States)], E-mail: mariusc@intra.niddk.nih.gov
2006-09-15
A simple and reliable approach for docking protein-protein complexes from very sparse NOE-derived intermolecular distance restraints (as few as three from a single point) in combination with a novel representation for an attractive potential between mapped interaction surfaces is described. Unambiguous assignments of very sparse intermolecular NOEs are obtained using a reverse labeling strategy in which one the components is fully deuterated with the exception of selective protonation of the {delta}-methyl groups of isoleucine, while the other component is uniformly {sup 13}C-labeled. This labeling strategy can be readily extended to selective protonation of Ala, Leu, Val or Met. The attractive potential is described by a 'reduced' radius of gyration potential applied specifically to a subset of interfacial residues (those with an accessible surface area {>=} 50% in the free proteins) that have been delineated by chemical shift perturbation. Docking is achieved by rigid body minimization on the basis of a target function comprising the sparse NOE distance restraints, a van der Waals repulsion potential and the 'reduced' radius of gyration potential. The method is demonstrated for two protein-protein complexes (EIN-HPr and IIA{sup Glc}-HPr) from the bacterial phosphotransferase system. In both cases, starting from 100 different random orientations of the X-ray structures of the free proteins, 100% convergence is achieved to a single cluster (with near identical atomic positions) with an overall backbone accuracy of {approx}2 A. The approach described is not limited to NMR, since interfaces can also be mapped by alanine scanning mutagenesis, and sparse intermolecular distance restraints can be derived from double cycle mutagenesis, cross-linking combined with mass spectrometry, or fluorescence energy transfer.
Cavity QED experiments with ion Coulomb crystals
DEFF Research Database (Denmark)
Herskind, Peter Fønss; Dantan, Aurélien; Marler, Joan
2009-01-01
Cavity QED experimental results demonstrating collective strong coupling between ensembles of atomic ions cooled into Coulomb crystals and optical cavity fields have been achieved. Collective Zeeman coherence times of milliseconds have furthermore been obtained.......Cavity QED experimental results demonstrating collective strong coupling between ensembles of atomic ions cooled into Coulomb crystals and optical cavity fields have been achieved. Collective Zeeman coherence times of milliseconds have furthermore been obtained....
Monotonicity of energy eigenvalues for Coulomb systems
International Nuclear Information System (INIS)
Englisch, R.
1983-01-01
Generalising results by earlier workers for a large class of Hamiltonians (among others, Hamiltonians of Coulomb systems) which can be written in the form H(α) = H 0 + αH' the present works shows that their eigenvalues decrease with increasing α. This result is applied to Coulomb systems in which the distances between the infinitely heavy particles are varying and also is used to obtain a completion and simplification of proof for the stability of the biexciton. (author)
Coulomb Distortion in the Inelastic Regime
Energy Technology Data Exchange (ETDEWEB)
Patricia Solvignon, Dave Gaskell, John Arrington
2009-09-01
The Coulomb distortion effects have been for a long time neglected in deep inelastic scattering for the good reason that the incident energies were very high. But for energies in the range of earlier data from SLAC or at JLab, the Coulomb distortion could have the potential consequence of affecting the A-dependence of the EMC effect and of the longitudinal to transverse virtual photon absorption cross section ratio $R(x,Q^2)$.
Tur\\'an type inequalities for regular Coulomb wave functions
Baricz, Árpád
2015-01-01
Tur\\'an, Mitrinovi\\'c-Adamovi\\'c and Wilker type inequalities are deduced for regular Coulomb wave functions. The proofs are based on a Mittag-Leffler expansion for the regular Coulomb wave function, which may be of independent interest. Moreover, some complete monotonicity results concerning the Coulomb zeta functions and some interlacing properties of the zeros of Coulomb wave functions are given.
Pattern formation in annular systems of repulsive particles
International Nuclear Information System (INIS)
Marschler, Christian; Starke, Jens; Sørensen, Mads P.; Gaididei, Yuri B.; Christiansen, Peter L.
2016-01-01
General particle models with symmetric and asymmetric repulsion are studied and investigated for finite-range and exponential interaction in an annulus. In the symmetric case transitions from one- to multi-lane behavior including multistability are observed for varying particle density and for a varying curvature with fixed density. Hence, the system cannot be approximated by a periodic channel. In the asymmetric case, which is important in pedestrian dynamics, we reveal an inhomogeneous new phase, a traveling wave reminiscent of peristaltic motion. - Highlights: • An asymmetrically interacting repulsive particle model is introduced. • Multi-stability is found in a pedestrian dynamics model. • Transitions from one- to multi-lane behavior are studied numerically.
Trinucleon asymptotic normalization constants including Coulomb effects
International Nuclear Information System (INIS)
Friar, J.L.; Gibson, B.F.; Lehman, D.R.; Payne, G.L.
1982-01-01
Exact theoretical expressions for calculating the trinucleon S- and D-wave asymptotic normalization constants, with and without Coulomb effects, are presented. Coordinate-space Faddeev-type equations are used to generate the trinucleon wave functions, and integral relations for the asymptotic norms are derived within this framework. The definition of the asymptotic norms in the presence of the Coulomb interaction is emphasized. Numerical calculations are carried out for the s-wave NN interaction models of Malfliet and Tjon and the tensor force model of Reid. Comparison with previously published results is made. The first estimate of Coulomb effects for the D-wave asymptotic norm is given. All theoretical values are carefully compared with experiment and suggestions are made for improving the experimental situation. We find that Coulomb effects increase the 3 He S-wave asymptotic norm by less than 1% relative to that of 3 H, that Coulomb effects decrease the 3 He D-wave asymptotic norm by approximately 8% relative to that of 3 H, and that the distorted-wave Born approximation D-state parameter, D 2 , is only 1% smaller in magnitude for 3 He than for 3 H due to compensating Coulomb effects
Quantifying intermolecular interactions of ionic liquids using cohesive energy densities
2017-01-01
For ionic liquids (ILs), both the large number of possible cation + anion combinations and their ionic nature provide a unique challenge for understanding intermolecular interactions. Cohesive energy density, ced, is used to quantify the strength of intermolecular interactions for molecular liquids, and is determined using the enthalpy of vaporization. A critical analysis of the experimental challenges and data to obtain ced for ILs is provided. For ILs there are two methods to judge the strength of intermolecular interactions, due to the presence of multiple constituents in the vapour phase of ILs. Firstly, cedIP, where the ionic vapour constituent is neutral ion pairs, the major constituent of the IL vapour. Secondly, cedC+A, where the ionic vapour constituents are isolated ions. A cedIP dataset is presented for 64 ILs. For the first time an experimental cedC+A, a measure of the strength of the total intermolecular interaction for an IL, is presented. cedC+A is significantly larger for ILs than ced for most molecular liquids, reflecting the need to break all of the relatively strong electrostatic interactions present in ILs. However, the van der Waals interactions contribute significantly to IL volatility due to the very strong electrostatic interaction in the neutral ion pair ionic vapour. An excellent linear correlation is found between cedIP and the inverse of the molecular volume. A good linear correlation is found between IL cedIP and IL Gordon parameter (which are dependent primarily on surface tension). ced values obtained through indirect methods gave similar magnitude values to cedIP. These findings show that cedIP is very important for understanding IL intermolecular interactions, in spite of cedIP not being a measure of the total intermolecular interactions of an IL. In the outlook section, remaining challenges for understanding IL intermolecular interactions are outlined. PMID:29308254
Quantifying intermolecular interactions of ionic liquids using cohesive energy densities.
Lovelock, Kevin R J
2017-12-01
For ionic liquids (ILs), both the large number of possible cation + anion combinations and their ionic nature provide a unique challenge for understanding intermolecular interactions. Cohesive energy density, ced , is used to quantify the strength of intermolecular interactions for molecular liquids, and is determined using the enthalpy of vaporization. A critical analysis of the experimental challenges and data to obtain ced for ILs is provided. For ILs there are two methods to judge the strength of intermolecular interactions, due to the presence of multiple constituents in the vapour phase of ILs. Firstly, ced IP , where the ionic vapour constituent is neutral ion pairs, the major constituent of the IL vapour. Secondly, ced C+A , where the ionic vapour constituents are isolated ions. A ced IP dataset is presented for 64 ILs. For the first time an experimental ced C+A , a measure of the strength of the total intermolecular interaction for an IL, is presented. ced C+A is significantly larger for ILs than ced for most molecular liquids, reflecting the need to break all of the relatively strong electrostatic interactions present in ILs. However, the van der Waals interactions contribute significantly to IL volatility due to the very strong electrostatic interaction in the neutral ion pair ionic vapour. An excellent linear correlation is found between ced IP and the inverse of the molecular volume. A good linear correlation is found between IL ced IP and IL Gordon parameter (which are dependent primarily on surface tension). ced values obtained through indirect methods gave similar magnitude values to ced IP . These findings show that ced IP is very important for understanding IL intermolecular interactions, in spite of ced IP not being a measure of the total intermolecular interactions of an IL. In the outlook section, remaining challenges for understanding IL intermolecular interactions are outlined.
Swarming and Pattern Formation due to Selective Attraction and Repulsion
Romanczuk, Pawel; Schimansky-Geier, Lutz
2012-01-01
We discuss the collective dynamics of self-propelled particles with selective attraction and repulsion interactions. Each particle, or individual, may respond differently to its neighbours depending on the sign of their relative velocity. Thus, it is able to distinguish approaching (coming closer) and retreating (moving away) individuals. This differentiation of the social response is motivated by the response to looming visual stimuli and may be seen as a generalization of the previously pro...
Vortical null orbits, repulsive barriers, energy confinement in Kerr metric
Energy Technology Data Exchange (ETDEWEB)
Calvani, M [Padua Univ. (Italy). Ist. di Astronomia; De Felice, F
1978-10-01
The complete analytical description of the null trajectories in the field of a Kerr naked singularity is given. Two peculiar phenomena are described: the existence of repulsive barriers in the r < O world and the existence of null circular bound orbits which surround the singularity in 'shells'. They distribute around the surface at r = m, which is the position of the horizon in the extreme black-hole case; this suggests that a naked singularity 'remembers' the position of the last horizon.
Coulomb interactions in particle beams
International Nuclear Information System (INIS)
Jansen, G.H.
1988-01-01
This thesis presents a theoretical description of the Coulomb interaction between identical charged particles (electrons or ions) in focussed beam. The charge-density effects as well as the various statistical interaction effects, known as the Boersch effect and the 'trajectory displacement effect', are treated. An introductory literature survey is presented from which the large differences in theoretical approach appear. Subsequently the methods are investigated which are used in studies of comparable problems in plasma physics and stellar dynamics. These turn out to be applicable to particle beams only for certain extreme conditions. The approach finally chosen in this study is twofold. On the one hand use is made of a semi-analytical model in which the statistical and dynamical aspects of the N-particle problem are reduced to two-particle problem. This model results in a number of explicit equations in the experimental parameters, with ties of the beam can be determined directly. On the other hand use has been made of a purely numerical Monte Carlo model in which the kinematical equations of an ensemble interacting particles with 'at random' chosen starting conditions are solved exactly. This model does not lead to general expressions, but yields a specific numerical prediction for each simulated experimental situation. The results of both models appear to agree well mutually. This yields a consistent theory which complements the existing knowledge of particle optics and which allow the description of systems in which the interaction between particles can not be neglected. The predictions of this theory are qualitatively and quantitatively compared with those from some other models, recently reported in literature. (author). 256 refs.; 114 figs.; 1180 schemes; 5 tabs
Energy Technology Data Exchange (ETDEWEB)
Tornow, Sabine; Zwicknagl, Gertrud [Institut fuer Mathematische Physik, TU Braunschweig (Germany)
2010-02-15
We investigate the transport characteristics of a redox system weakly coupled to leads in the Coulomb blockade regime. The redox system comprises a donor and acceptor separated by an insulating bridge in a solution. It is modeled by a two-site extended Hubbard model which includes on-site and inter-site Coulomb interactions and the coupling to a bosonic bath. The current-voltage characteristics is calculated at high temperatures using a rate equation approach. For high voltages exceeding the Coulomb repulsion at the donor site the calculated transport characteristics exhibit pronounced deviations from the behavior expected from single-electron transport. Depending on the relative sizes of the effective on-site and inter-site Coulomb interactions on one side and the reorganization energy on the other side we find either negative differential resistance or current enhancement. Schematic view of the redox system with donor (D) and acceptor (A) coupled to the leads L and R. The electronic degrees of freedom of the DA system are coupled to the environment comprising internal vibrations and the solvent dynamics. The current is calculated as a function of the bias voltage V{sub b} and gate voltage V{sub g}. (copyright 2010 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)
Wang, Wei; Zhuang, Mengdi; Zheng, Sining
2018-02-01
In this paper we study the global boundedness of solutions to the fully parabolic attraction-repulsion chemotaxis system with logistic source: ut = Δu - χ∇ ṡ (u∇v) + ξ∇ ṡ (u∇w) + f (u), vt = Δv - βv + αu, wt = Δw - δw + γu, subject to homogeneous Neumann boundary conditions in a bounded and smooth domain Ω ⊂Rn (n ≥ 1), where χ, α, ξ, γ, β and δ are positive constants, and f : R → R is a smooth function generalizing the logistic source f (s) = a - bsθ for all s ≥ 0 with a ≥ 0, b > 0 and θ ≥ 1. It is shown that when the repulsion cancels the attraction (i.e. χα = ξγ), the solution is globally bounded if n ≤ 3, or θ >θn : = min {n+2}/4, n/√{n2 + 6 n + 17 }/-n2 - 3 n + 4 4 } with n ≥ 2. Therefore, due to the inhibition of repulsion to the attraction, in any spatial dimension, the exponent θ is allowed to take values less than 2 such that the solution is uniformly bounded in time.
Kajiya, Daisuke; Saitow, Ken-ichi
2013-08-07
Carbonyl compounds are solutes that are highly soluble in supercritical CO2 (scCO2). Their solubility governs the efficiency of chemical reactions, and is significantly increased by changing a chromophore. To effectively use scCO2 as solvent, it is crucial to understand the high solubility of carbonyl compounds, the solvation structure, and the solute-solvent intermolecular interactions. We report Raman spectroscopic data, for three prototypical ketones dissolved in scCO2, and four theoretical analyses. The vibrational Raman spectra of the C=O stretching modes of ketones (acetone, acetophenone, and benzophenone) were measured in scCO2 along the reduced temperature Tr = T∕Tc = 1.02 isotherm as a function of the reduced density ρr = ρ∕ρc in the range 0.05-1.5. The peak frequencies of the C=O stretching modes shifted toward lower energies as the fluid density increased. The density dependence was analyzed by using perturbed hard-sphere theory, and the shift was decomposed into attractive and repulsive energy components. The attractive energy between the ketones and CO2 was up to nine times higher than the repulsive energy, and its magnitude increased in the following order: acetone attractive energy and optimized the relative configuration between each solute and CO2. According to theoretical calculations for the dispersion energy, the dipole-induced-dipole interaction energy, and the frequency shift due to their interactions, the experimentally determined attractive energy differences in the three solutes were attributed to the dispersion energies that depended on a chromophore attached to the carbonyl groups. It was found that the major intermolecular interaction with the attractive shift varied from dipole-induced dipole to dispersion depending on the chromophore in the ketones in scCO2. As the common conclusion for the Raman spectral measurements and the four theoretical calculations, solute polarizability, modified by the chromophore, was at the core of
Ma, Junyang; Li, Hui; Lin, Kang; Song, Qiying; Ji, Qinying; Zhang, Wenbin; Li, Hanxiao; Sun, Fenghao; Qiang, Junjie; Lu, Peifen; Gong, Xiaochun; Zeng, Heping; Wu, Jian
2018-06-01
We experimentally investigate the dissociative double ionization of hydrogen chloride (HCl) molecules in intense femtosecond laser pulses. In addition to the prompt dissociation channels which occur on femtosecond timescales, long-lived hydrogen chloride dications which Coulomb-explode in flight towards the detector are clearly identified in the photoion-photoion coincidence spectrum. Different pathways leading to these prompt and delayed dissociation channels involving various bound and repulsive states of the HCl dication are discussed based on the observed kinetic energy release and momentum distributions. Our results indicate that the specific features of the HCl dication potential energy curves are responsible for the generation of the delayed fragmentation channels, which are expected to be general processes for the hydrogen halides.
Extremes of 2d Coulomb gas: universal intermediate deviation regime
Lacroix-A-Chez-Toine, Bertrand; Grabsch, Aurélien; Majumdar, Satya N.; Schehr, Grégory
2018-01-01
In this paper, we study the extreme statistics in the complex Ginibre ensemble of N × N random matrices with complex Gaussian entries, but with no other symmetries. All the N eigenvalues are complex random variables and their joint distribution can be interpreted as a 2d Coulomb gas with a logarithmic repulsion between any pair of particles and in presence of a confining harmonic potential v(r) \\propto r2 . We study the statistics of the eigenvalue with the largest modulus r\\max in the complex plane. The typical and large fluctuations of r\\max around its mean had been studied before, and they match smoothly to the right of the mean. However, it remained a puzzle to understand why the large and typical fluctuations to the left of the mean did not match. In this paper, we show that there is indeed an intermediate fluctuation regime that interpolates smoothly between the large and the typical fluctuations to the left of the mean. Moreover, we compute explicitly this ‘intermediate deviation function’ (IDF) and show that it is universal, i.e. independent of the confining potential v(r) as long as it is spherically symmetric and increases faster than \\ln r2 for large r with an unbounded support. If the confining potential v(r) has a finite support, i.e. becomes infinite beyond a finite radius, we show via explicit computation that the corresponding IDF is different. Interestingly, in the borderline case where the confining potential grows very slowly as v(r) ∼ \\ln r2 for r \\gg 1 with an unbounded support, the intermediate regime disappears and there is a smooth matching between the central part and the left large deviation regime.
Coulomb drag in coherent mesoscopic systems
DEFF Research Database (Denmark)
Mortensen, Asger; Flensberg, Karsten; Jauho, Antti-Pekka
2001-01-01
We present a theory for Coulomb drag between two mesoscopic systems. Our formalism expresses the drag in terms of scattering matrices and wave functions, and its range of validity covers both ballistic and disordered systems. The consequences can be worked out either by analytic means, such as th......We present a theory for Coulomb drag between two mesoscopic systems. Our formalism expresses the drag in terms of scattering matrices and wave functions, and its range of validity covers both ballistic and disordered systems. The consequences can be worked out either by analytic means......, such as the random matrix theory, or by numerical simulations. We show that Coulomb drag is sensitive to localized states. which usual transport measurements do not probe. For chaotic 2D systems we find a vanishing average drag, with a nonzero variance. Disordered 1D wires show a finite drag, with a large variance...
Coulomb explosion of “hot spot”
Energy Technology Data Exchange (ETDEWEB)
Oreshkin, V. I., E-mail: oreshkin@ovpe.hcei.tsc.ru [Institute of High Current Electrons, SB, RAS, Tomsk (Russian Federation); Tomsk Polytechnic University, Tomsk (Russian Federation); Oreshkin, E. V. [P. N. Lebedev Physical Institute, RAS, Moscow (Russian Federation); Chaikovsky, S. A. [Institute of High Current Electrons, SB, RAS, Tomsk (Russian Federation); P. N. Lebedev Physical Institute, RAS, Moscow (Russian Federation); Institute of Electrophysics, UD, RAS, Ekaterinburg (Russian Federation); Artyomov, A. P. [Institute of High Current Electrons, SB, RAS, Tomsk (Russian Federation)
2016-09-15
The study presented in this paper has shown that the generation of hard x rays and high-energy ions, which are detected in pinch implosion experiments, may be associated with the Coulomb explosion of the hot spot that is formed due to the outflow of the material from the pinch cross point. During the process of material outflow, the temperature of the hot spot plasma increases, and conditions arise for the plasma electrons to become continuously accelerated. The runaway of electrons from the hot spot region results in the buildup of positive space charge in this region followed by a Coulomb explosion. The conditions for the hot spot plasma electrons to become continuously accelerated have been revealed, and the estimates have been obtained for the kinetic energy of the ions generated by the Coulomb explosion.
Coulomb explosion of “hot spot”
International Nuclear Information System (INIS)
Oreshkin, V. I.; Oreshkin, E. V.; Chaikovsky, S. A.; Artyomov, A. P.
2016-01-01
The study presented in this paper has shown that the generation of hard x rays and high-energy ions, which are detected in pinch implosion experiments, may be associated with the Coulomb explosion of the hot spot that is formed due to the outflow of the material from the pinch cross point. During the process of material outflow, the temperature of the hot spot plasma increases, and conditions arise for the plasma electrons to become continuously accelerated. The runaway of electrons from the hot spot region results in the buildup of positive space charge in this region followed by a Coulomb explosion. The conditions for the hot spot plasma electrons to become continuously accelerated have been revealed, and the estimates have been obtained for the kinetic energy of the ions generated by the Coulomb explosion.
Critical opalescence in the pure Coulomb system
Energy Technology Data Exchange (ETDEWEB)
Bobrov, V.B., E-mail: vic5907@mail.r [Joint Institute for High Temperatures, Russian Academy of Sciences, Izhorskaia St., 13, Bd. 2. Moscow 125412 (Russian Federation); Trigger, S.A., E-mail: satron@mail.r [Joint Institute for High Temperatures, Russian Academy of Sciences, Izhorskaia St., 13, Bd. 2. Moscow 125412 (Russian Federation); Institut fuer Physik, Humboldt-Universitaet zu Berlin, Newtonstrasse 15, D-12489 Berlin (Germany)
2011-04-18
Highlights: The review of the critical opalescence problem is presented. Light scattering in a two-component electron-nuclear system is studied. The exact relations between the structure factors and compressibility are found. The obtained relations are valid for strong interaction for the Coulomb systems. The experimental verification of these relations is possible for various elements. - Abstract: Based on the dielectric formalism and quantum field theory methods, the phenomenon of critical opalescence is explained for light scattering in pure matter as a two-component electron-nuclear system with Coulomb interaction. A similar phenomenon is shown to occur in the case of neutron scattering in pure substances as well. The obtained results are valid for quantum case and arbitrary strong Coulomb interaction. Thus, the relations between structure factors derived for the electron-nuclear system are the exact result of the quantum statistical mechanics.
Critical opalescence in the pure Coulomb system
International Nuclear Information System (INIS)
Bobrov, V.B.; Trigger, S.A.
2011-01-01
Highlights: → The review of the critical opalescence problem is presented. → Light scattering in a two-component electron-nuclear system is studied. → The exact relations between the structure factors and compressibility are found. → The obtained relations are valid for strong interaction for the Coulomb systems. → The experimental verification of these relations is possible for various elements. - Abstract: Based on the dielectric formalism and quantum field theory methods, the phenomenon of critical opalescence is explained for light scattering in pure matter as a two-component electron-nuclear system with Coulomb interaction. A similar phenomenon is shown to occur in the case of neutron scattering in pure substances as well. The obtained results are valid for quantum case and arbitrary strong Coulomb interaction. Thus, the relations between structure factors derived for the electron-nuclear system are the exact result of the quantum statistical mechanics.
Pattern formation in annular systems of repulsive particles
DEFF Research Database (Denmark)
Marschler, Christian; Starke, Jens; Sørensen, Mads Peter
2016-01-01
General particle models with symmetric and asymmetric repulsion are studied and investigated for finite-range and exponential interaction in an annulus. In the symmetric case transitions from one- to multi-lane behavior including multistability are observed for varying particle density and for a ...... and for a varying curvature with fixed density. Hence, the system cannot be approximated by a periodic channel. In the asymmetric case, which is important in pedestrian dynamics, we reveal an inhomogeneous new phase, a traveling wave reminiscent of peristaltic motion....
Repulsive polarons and itinerant ferromagnetism in strongly polarized Fermi gases
DEFF Research Database (Denmark)
Massignan, Pietro; Bruun, Georg
2011-01-01
We analyze the properties of a single impurity immersed in a Fermi sea. At positive energy and scattering lengths, we show that the system possesses a well-defined but metastable excitation, the repulsive polaron, and we calculate its energy, quasiparticle residue and effective mass. From...... polarized (ferromagnetic) domains are then examined for a binary mixture of atoms with a general mass ratio. Our results indicate that mass imbalance lowers the critical interaction strength for phase-separation, but that very short quasiparticle decay times will complicate the experimental observation...
Attractive and repulsive cracks in a heterogeneous material
International Nuclear Information System (INIS)
Cortet, Pierre-Philippe; Huillard, Guillaume; Vanel, Loïc; Ciliberto, Sergio
2008-01-01
We study experimentally the paths of an assembly of cracks growing in interaction in a heterogeneous two-dimensional elastic brittle material submitted to uniaxial stress. For a given initial crack assembly geometry, we observe two types of crack path. The first one corresponds to a repulsion followed by an attraction on one end of the crack and a tip-to-tip attraction on the other end. The second one corresponds to a pure attraction. Only one of the crack path types is observed in a given sample. Thus, selection between the two types appears as a statistical collective process
Pairing from strong repulsion in triangular lattice Hubbard model
Zhang, Shang-Shun; Zhu, Wei; Batista, Cristian D.
2018-04-01
We propose a pairing mechanism between holes in the dilute limit of doped frustrated Mott insulators. Hole pairing arises from a hole-hole-magnon three-body bound state. This pairing mechanism has its roots on single-hole kinetic energy frustration, which favors antiferromagnetic (AFM) correlations around the hole. We demonstrate that the AFM polaron (hole-magnon bound state) produced by a single hole propagating on a field-induced polarized background is strong enough to bind a second hole. The effective interaction between these three-body bound states is repulsive, implying that this pairing mechanism is relevant for superconductivity.
Coulomb collisions in the solar wind
Klein, L. W.; Ogilvie, K. W.; Burlaga, L. F.
1985-01-01
A major improvement of the present investigation over previous studies of the subject is related to the use of helium temperatures obtained from helium ion measurements uncontaminated by the high-velocity tail of the proton distribution. More observations, covering a large parameter range, were employed, and the effects of interspecies drift were taken into account. It is shown in a more definite way than has been done previously, that Coulomb collisions provide the most important mechanism bringing about equilibrium between helium and protons in the solar wind. Other mechanisms may play some part in restricted regions, but Coulomb collisions are dominant on the macroscale.
Frictional Coulomb drag in strong magnetic fields
DEFF Research Database (Denmark)
Bønsager, Martin Christian; Flensberg, Karsten; Hu, Ben Yu-Kuang
1997-01-01
A treatment of frictional Coulomb drag between two two-dimensional electron layers in a strong perpendicular magnetic field, within the independent electron picture, is presented. Assuming fully resolved Landau levels, the linear response theory expression for the transresistivity rho(21) is eval......A treatment of frictional Coulomb drag between two two-dimensional electron layers in a strong perpendicular magnetic field, within the independent electron picture, is presented. Assuming fully resolved Landau levels, the linear response theory expression for the transresistivity rho(21...
Critical behavior in graphene with Coulomb interactions.
Wang, Jianhui; Fertig, H A; Murthy, Ganpathy
2010-05-07
We demonstrate that, in the presence of Coulomb interactions, electrons in graphene behave like a critical system, supporting power law correlations with interaction-dependent exponents. An asymptotic analysis shows that the origin of this behavior lies in particle-hole scattering, for which the Coulomb interaction induces anomalously close approaches. With increasing interaction strength the relevant power law changes from real to complex, leading to an unusual instability characterized by a complex-valued susceptibility in the thermodynamic limit. Measurable quantities, as well as the connection to classical two-dimensional systems, are discussed.
Observation of a Coulomb flux tube
Greensite, Jeff; Chung, Kristian
2018-03-01
In Coulomb gauge there is a longitudinal color electric field associated with a static quark-antiquark pair. We have measured the spatial distribution of this field, and find that it falls off exponentially with transverse distance from a line joining the two quarks. In other words there is a Coulomb flux tube, with a width that is somewhat smaller than that of the minimal energy flux tube associated with the asymptotic string tension. A confinement criterion for gauge theories with matter fields is also proposed.
Perturbative ambiguities in Coulomb gauge QCD
International Nuclear Information System (INIS)
Doust, P.
1987-01-01
The naive Coulomb gauge Feynman rules in non-abelian gauge theory give rise to ambiguous integrals, in addition to the usual ultraviolet divergences. Generalizing the work of Cheng and Tsai, these ambiguities are resolved to all orders in perturbation theory, by defining a gauge that interpolates smoothly between the Feynman gauge and the Coulomb gauge. The extra terms V 1 +V 2 of Christ and Lee are identified with certain two-loop ambiguous terms. However, there still seem to be unsolved problems connected with renormalisation. copyright 1987 Academic Press, Inc
Coulomb dissociation of N 20,21
Röder, Marko; Adachi, Tatsuya; Aksyutina, Yulia; Alcantara, Juan; Altstadt, Sebastian; Alvarez-Pol, Hector; Ashwood, Nicholas; Atar, Leyla; Aumann, Thomas; Avdeichikov, Vladimir; Barr, M.; Beceiro, Saul; Bemmerer, Daniel; Benlliure, Jose; Bertulani, Carlos
2016-01-01
Neutron-rich light nuclei and their reactions play an important role in the creation of chemical elements. Here, data from a Coulomb dissociation experiment on N20,21 are reported. Relativistic N20,21 ions impinged on a lead target and the Coulomb dissociation cross section was determined in a kinematically complete experiment. Using the detailed balance theorem, the N19(n,γ)N20 and N20(n,γ)N21 excitation functions and thermonuclear reaction rates have been determined. The N19(n,γ)N20 rate is...
Critical opalescence in the pure Coulomb system
Bobrov, V. B.; Trigger, S. A.
2011-04-01
Based on the dielectric formalism and quantum field theory methods, the phenomenon of critical opalescence is explained for light scattering in pure matter as a two-component electron-nuclear system with Coulomb interaction. A similar phenomenon is shown to occur in the case of neutron scattering in pure substances as well. The obtained results are valid for quantum case and arbitrary strong Coulomb interaction. Thus, the relations between structure factors derived for the electron-nuclear system are the exact result of the quantum statistical mechanics.
Efficient evaluation of the Coulomb force in the Gaussian and finite-element Coulomb method.
Kurashige, Yuki; Nakajima, Takahito; Sato, Takeshi; Hirao, Kimihiko
2010-06-28
We propose an efficient method for evaluating the Coulomb force in the Gaussian and finite-element Coulomb (GFC) method, which is a linear-scaling approach for evaluating the Coulomb matrix and energy in large molecular systems. The efficient evaluation of the analytical gradient in the GFC is not straightforward as well as the evaluation of the energy because the SCF procedure with the Coulomb matrix does not give a variational solution for the Coulomb energy. Thus, an efficient approximate method is alternatively proposed, in which the Coulomb potential is expanded in the Gaussian and finite-element auxiliary functions as done in the GFC. To minimize the error in the gradient not just in the energy, the derived functions of the original auxiliary functions of the GFC are used additionally for the evaluation of the Coulomb gradient. In fact, the use of the derived functions significantly improves the accuracy of this approach. Although these additional auxiliary functions enlarge the size of the discretized Poisson equation and thereby increase the computational cost, it maintains the near linear scaling as the GFC and does not affects the overall efficiency of the GFC approach.
Connecting Protein Structure to Intermolecular Interactions: A Computer Modeling Laboratory
Abualia, Mohammed; Schroeder, Lianne; Garcia, Megan; Daubenmire, Patrick L.; Wink, Donald J.; Clark, Ginevra A.
2016-01-01
An understanding of protein folding relies on a solid foundation of a number of critical chemical concepts, such as molecular structure, intra-/intermolecular interactions, and relating structure to function. Recent reports show that students struggle on all levels to achieve these understandings and use them in meaningful ways. Further, several…
Phase transitions in liquids with directed intermolecular bonding
Son, L.; Ryltcev, R.
2005-01-01
Liquids with quasi - chemical bonding between molecules are described in terms of vertex model. It is shown that this bonding results in liquid - liquid phase transition, which occurs between phases with different mean density of intermolecular bonds. The transition may be suggested to be a universal phenomena for those liquids.
Dancing Crystals: A Dramatic Illustration of Intermolecular Forces
Mundell, Donald W.
2007-01-01
Crystals of naphthalene form on the surface of an acetone solution and dance about in an animated fashion illustrating surface tension, crystallization, and intermolecular forces. Additional experiments reveal the properties of the solution. Flows within the solutions can be visualized by various means. Previous demonstrations of surface motion…
Zhang, Junli; Zhu, Liu; Yang, Yu; Yong, Huadong; Zhang, Junwei; Peng, Yong; Fu, Jiecai
2018-05-03
Tailoring the nanoarchitecture of materials is significant for the development of nanoscience and nanotechnology. To date, one of the most powerful strategies is convergent electron beam irradiation (EBI). However, only two main functions of knock-on or atomic displacement have been achieved to date. In this study, a Coulomb explosion phenomenon was found to occur in α-MoO3 nanobelts (NBs) under electron beam irradiation, which was controllable and could be used to efficiently create nanostructures such as holes, gaps, and other atomic/nanometer patterns on a single α-MoO3 NB. Theoretical simulations starting from the charging state, charging rate to the threshold time of Coulomb explosion reveal that the Coulomb explosion phenomenon should result from positive charging. The results also show that the multiple charged regions are quickly fragmented, and the monolayered α-MoO3 pieces can then be peeled off once the Coulombic repulsion is sufficient to break the Mo-O bonds in the crystalline structure. It is believed that this efficient and versatile strategy may open up a new avenue to tailor α-MoO3 NBs or other kind of transition metal dichalcogenides via the Coulomb explosion effect.
Comment on "Calculations for the one-dimensional soft Coulomb problem and the hard Coulomb limit".
Carrillo-Bernal, M A; Núñez-Yépez, H N; Salas-Brito, A L; Solis, Didier A
2015-02-01
In the referred paper, the authors use a numerical method for solving ordinary differential equations and a softened Coulomb potential -1/√[x(2)+β(2)] to study the one-dimensional Coulomb problem by approaching the parameter β to zero. We note that even though their numerical findings in the soft potential scenario are correct, their conclusions do not extend to the one-dimensional Coulomb problem (β=0). Their claims regarding the possible existence of an even ground state with energy -∞ with a Dirac-δ eigenfunction and of well-defined parity eigenfunctions in the one-dimensional hydrogen atom are questioned.
A Coulomb-Like Off-Shell T-Matrix with the Correct Coulomb Phase Shift
International Nuclear Information System (INIS)
Oryu, Shinsho; Watanabe, Takashi; Hiratsuka, Yasuhisa; Togawa, Yoshio
2017-01-01
We confirm the reliability of the well-known Coulomb renormalization method (CRM). It is found that the CRM is only available for a very-long-range screened Coulomb potential (SCP). However, such an SCP calculation in momentum space is considerably difficult because of the cancellation of significant digits. In contrast to the CRM, we propose a new method by using an on-shell equivalent SCP and the rest term. The two-potential theory with r-space is introduced, which defines fully the off-shell Coulomb amplitude. (author)
Swarming and pattern formation due to selective attraction and repulsion.
Romanczuk, Pawel; Schimansky-Geier, Lutz
2012-12-06
We discuss the collective dynamics of self-propelled particles with selective attraction and repulsion interactions. Each particle, or individual, may respond differently to its neighbours depending on the sign of their relative velocity. Thus, it is able to distinguish approaching (coming closer) and retreating (moving away) individuals. This differentiation of the social response is motivated by the response to looming visual stimuli and may be seen as a generalization of the previously proposed escape and pursuit interactions motivated by empirical evidence for cannibalism as a driving force of collective migration in locusts and Mormon crickets. The model can account for different types of behaviour such as pure attraction, pure repulsion or escape and pursuit, depending on the values (signs) of the different response strengths. It provides, in the light of recent experimental results, an interesting alternative to previously proposed models of collective motion with an explicit velocity-alignment interaction. We discuss the derivation of a coarse-grained description of the system dynamics, which allows us to derive analytically the necessary condition for emergence of collective motion. Furthermore, we analyse systematically the onset of collective motion and clustering in numerical simulations of the model for varying interaction strengths. We show that collective motion arises only in a subregion of the parameter space, which is consistent with the analytical prediction and corresponds to an effective escape and/or pursuit response.
Nuclear many-body problem with repulsive hard core interactions
Energy Technology Data Exchange (ETDEWEB)
Haddad, L M
1965-07-01
The nuclear many-body problem is considered using the perturbation-theoretic approach of Brueckner and collaborators. This approach is outlined with particular attention paid to the graphical representation of the terms in the perturbation expansion. The problem is transformed to centre-of-mass coordinates in configuration space and difficulties involved in ordinary methods of solution of the resulting equation are discussed. A new technique, the 'reference spectrum method', devised by Bethe, Brandow and Petschek in an attempt to simplify the numerical work in presented. The basic equations are derived in this approximation and considering the repulsive hard core part of the interaction only, the effective mass is calculated at high momentum (using the same energy spectrum for both 'particle' and 'hole' states). The result of 0.87m is in agreement with that of Bethe et al. A more complete treatment using the reference spectrum method in introduced and a self-consistent set of equations is established for the reference spectrum parameters again for the case of hard core repulsions. (author)
Repulsive effects of hydrophobic diamond thin films on biomolecule detection
Energy Technology Data Exchange (ETDEWEB)
Ruslinda, A. Rahim, E-mail: ruslindarahim@gmail.com [Institute of Nano Electronic Engineering, Universiti Malaysia Perlis, Jln Kgr-Alor Setar, Seriab, 01000 Kangar, Perlis (Malaysia); Department of Nano Science and Nano Engineering, School of Advance Science and Engineering, Ohkubo 3-4-1, Shinjuku, 169-8555 Tokyo (Japan); Ishiyama, Y. [Department of Nano Science and Nano Engineering, School of Advance Science and Engineering, Ohkubo 3-4-1, Shinjuku, 169-8555 Tokyo (Japan); Penmatsa, V. [Department of Mechanical and Materials Engineering, Florida International University, 10555 West Flagler Street, Miami, FL 33174 (United States); Ibori, S.; Kawarada, H. [Department of Nano Science and Nano Engineering, School of Advance Science and Engineering, Ohkubo 3-4-1, Shinjuku, 169-8555 Tokyo (Japan)
2015-02-15
Highlights: • We report the effect of fluorine plasma treatment on diamond thin film to resist the nonspecific adsorption of biomolecules. • The diamond thin film were highly hydrophobic with a surface energy value of ∼25 mN/m. • The repulsive effect shows excellent binding efficiency for both DNA and HIV-1 Tat protein. - Abstract: The repulsive effect of hydrophobic diamond thin film on biomolecule detection, such as single-nucleotide polymorphisms and human immunodeficiency virus type 1 trans-activator of transcription peptide protein detection, was investigated using a mixture of a fluorine-, amine-, and hydrogen-terminated diamond surfaces. These chemical modifications lead to the formation of a surface that effectively resists the nonspecific adsorption of proteins and other biomolecules. The effect of fluorine plasma treatment on elemental composition was also investigated via X-ray photoelectron spectroscopy (XPS). XPS results revealed a fluorocarbon layer on the diamond thin films. The contact angle measurement results indicated that the fluorine-treated diamond thin films were highly hydrophobic with a surface energy value of ∼25 mN/m.
Repulsive effects of hydrophobic diamond thin films on biomolecule detection
International Nuclear Information System (INIS)
Ruslinda, A. Rahim; Ishiyama, Y.; Penmatsa, V.; Ibori, S.; Kawarada, H.
2015-01-01
Highlights: • We report the effect of fluorine plasma treatment on diamond thin film to resist the nonspecific adsorption of biomolecules. • The diamond thin film were highly hydrophobic with a surface energy value of ∼25 mN/m. • The repulsive effect shows excellent binding efficiency for both DNA and HIV-1 Tat protein. - Abstract: The repulsive effect of hydrophobic diamond thin film on biomolecule detection, such as single-nucleotide polymorphisms and human immunodeficiency virus type 1 trans-activator of transcription peptide protein detection, was investigated using a mixture of a fluorine-, amine-, and hydrogen-terminated diamond surfaces. These chemical modifications lead to the formation of a surface that effectively resists the nonspecific adsorption of proteins and other biomolecules. The effect of fluorine plasma treatment on elemental composition was also investigated via X-ray photoelectron spectroscopy (XPS). XPS results revealed a fluorocarbon layer on the diamond thin films. The contact angle measurement results indicated that the fluorine-treated diamond thin films were highly hydrophobic with a surface energy value of ∼25 mN/m
Repulsive Casimir-Polder forces from cosmic strings
International Nuclear Information System (INIS)
Saharian, A.A.; Kotanjyan, A.S.
2011-01-01
We investigate the Casimir-Polder force acting on a polarizable microparticle in the geometry of a straight cosmic string. In order to develop this analysis we evaluate the electromagnetic field Green tensor on the imaginary frequency axis. The expression for the Casimir-Polder force is derived in the general case of anisotropic polarizability. In dependence on the eigenvalues for the polarizability tensor and of the orientation of its principal axes, the Casimir-Polder force can be either repulsive or attractive. Moreover, there are situations where the force changes the sign with separation. We show that for an isotropic polarizability tensor the force is always repulsive. At large separations between the microparticle and the string, the force varies inversely with the fifth power of the distance. In the non-retarded regime, corresponding to separations smaller than the relevant transition wavelengths, the force decays with the inverse fourth power of the distance. In the case of anisotropic polarizability, the dependence of the Casimir-Polder potential on the orientation of the polarizability tensor principal axes also leads to a moment of force acting on the particle. (orig.)
Simplistic Coulomb Forces in Molecular Dynamics
DEFF Research Database (Denmark)
Hansen, Jesper Schmidt; Schrøder, Thomas; Dyre, J. C.
2012-01-01
In this paper we compare the Wolf method to the shifted forces (SF) method for efficient computer simulation of bulk systems with Coulomb forces, taking results from the Ewald summation and particle mesh Ewald methods as representing the true behavior. We find that for the Hansen–McDonald molten...
Coulomb's Electrical Measurements. Experiment No. 14.
Devons, Samuel
Presented is information related to the life and work of Charles Coulomb as well as detailed notes of his measurements of the distribution of electricity on conductors. The two methods that he used (the large torsion balance, and the timing of "force" oscillations) are described. (SA)
Coulomb drag in multiwall armchair carbon nanotubes
DEFF Research Database (Denmark)
Lunde, A.M.; Jauho, Antti-Pekka
2004-01-01
surface. The cylindrical geometry of the nanotubes and the different parities of the Bloch states are accounted for in the evaluation of the effective Coulomb interaction between charges in the concentric nanotubes. We find a broad peak in rho(21) as a function of temperature at roughly T similar to 0.4T...
Coulomb Coupling Between Quantum Dots and Waveguides
National Research Council Canada - National Science Library
Porod, Wolfgang
2000-01-01
.... We considered both III-V and Si-based semiconductor systems. In later years, the AASERT award supported work on QCA realizations in Coulomb-blockade metal-dot systems, which were successful in demonstrating the basic QCA switching operation...
Generalized Coulomb gauge without Gribov ambiguity
Energy Technology Data Exchange (ETDEWEB)
Fachin, S.; Parrinello, C. (New York Univ., NY (United States). Physics Dept.)
1992-05-01
We discuss a global gauge-fixing prescription that is free of the Gribov problem, preserves reflection positivity and contains as a limiting case the (maximal) Coulomb gauge. In such a formalism it is very easy to check that only color singlet states propagate in Euclidean time, for any value of [beta]. (orig.).
Lee-Nauenberg theorem and Coulomb scattering
Energy Technology Data Exchange (ETDEWEB)
Fleming, H; Frenkel, J [Sao Paulo Univ. (Brazil). Instituto de Fisica
1975-08-01
Lee-Nauenberg analysis is extended to the case of Coulomb scattering, where the diagonal elements of the Hamiltonian interaction are singular functions. It is shown, using a simple argument, that the leading infrared singularities in the cross-section are mutually canceled out.
Monotonicity and concavity in Coulomb systems
International Nuclear Information System (INIS)
Englisch, R.; Englisch, H.; Karl-Marx-Universitaet, Leipzig
1986-01-01
The eigenvalues of H(α) = H 0 + αH * , where H * is an arbitrary Coulomb potential, decrease with increasing α ≥ 0. Linear and parabolic bounds for the ground state energy are presented. These bounds are applied to the biexciton and the exciton at a neutral donor. (orig.)
Signatures of Coulomb fission: a theoretical study
International Nuclear Information System (INIS)
Oberacker, V.; Kruse, H.; Pinkston, W.T.; Greiner, W.
1979-01-01
Evidence for Coulomb fission (CF) is noted first. Then the Hamiltonian is set down and explained, and an expression for the CF probability of CF is obtained. Results are summarized. Figures show the CF probability of 238 U as a function of projectile charge number and the excitation functions for CF of 238 U by 184 W and 136 Xe. 3 figures
Interatomic Coulombic decay in helium nanodroplets
DEFF Research Database (Denmark)
Shcherbinin, Mykola; Laforge, Aaron; Sharma, Vandana
2017-01-01
, or in the droplet interior. ICD at the surface gives rise to energetic He+ ions as previously observed for free He dimers. ICD deeper inside leads to the ejection of slow He+ ions due to Coulomb explosion delayed by elastic collisions with neighboring He atoms, and to the formation of Hek+ complexes....
Coulomb Blockade of Tunnel-Coupled Quantum Dots
National Research Council Canada - National Science Library
Golden, John
1997-01-01
.... Though classical charging models can explain the Coulomb blockade of an isolated dot, they must be modified to explain the Coulomb blockade of dots coupled through the quantum mechanical tunneling of electrons...
Coulomb singularity effects in tunnelling spectroscopy of individual impurities
Arseyev, P. I.; Maslova, N. S.; Panov, V. I.; Savinov, S. V.
2002-01-01
Non-equilibrium Coulomb effects in resonant tunnelling processes through deep impurity states are analyzed. It is shown that Coulomb vertex corrections to the tunnelling transfer amplitude lead to a power-law singularity in current- voltage characteristics
Coulomb Crystallization of Charged Microspheres Levitated in a Gas Discharge Plasma
Goree, John
1998-01-01
The technical topic of the project was the experimental observation of Coulomb crystallization of charged microspheres levitated in a gas discharge plasma. This suspension, sometimes termed a dusty plasma, is closely analogous to a colloidal suspension, except that it has a much faster time response, is more optically thin, and has no buoyancy forces to suspend the particles. The particles are levitated by electric fields. Through their collective Coulomb repulsions, the particles arrange themselves in a lattice with a crystalline symmetry, which undergoes an order-disorder phase transition analogous to melting when the effective temperature of the system is increased. Due to gravitational sedimentation, the particles form a thin layer in the laboratory, so that the experimental system is nearly 2D, whereas in future microgravity experiments they are expected to fill a larger volume and behave like a 3D solid or liquid. The particles are imaged using a video camera by illuminating them with a sheet of laser light. Because the suspension is optically thin, this imaging method will work as well in a 3D microgravity experiment as it does in a 2D laboratory system.
Christensen, Anders S; Kromann, Jimmy C; Jensen, Jan H; Cui, Qiang
2017-10-28
To facilitate further development of approximate quantum mechanical methods for condensed phase applications, we present a new benchmark dataset of intermolecular interaction energies in the solution phase for a set of 15 dimers, each containing one charged monomer. The reference interaction energy in solution is computed via a thermodynamic cycle that integrates dimer binding energy in the gas phase at the coupled cluster level and solute-solvent interaction with density functional theory; the estimated uncertainty of such calculated interaction energy is ±1.5 kcal/mol. The dataset is used to benchmark the performance of a set of semi-empirical quantum mechanical (SQM) methods that include DFTB3-D3, DFTB3/CPE-D3, OM2-D3, PM6-D3, PM6-D3H+, and PM7 as well as the HF-3c method. We find that while all tested SQM methods tend to underestimate binding energies in the gas phase with a root-mean-squared error (RMSE) of 2-5 kcal/mol, they overestimate binding energies in the solution phase with an RMSE of 3-4 kcal/mol, with the exception of DFTB3/CPE-D3 and OM2-D3, for which the systematic deviation is less pronounced. In addition, we find that HF-3c systematically overestimates binding energies in both gas and solution phases. As most approximate QM methods are parametrized and evaluated using data measured or calculated in the gas phase, the dataset represents an important first step toward calibrating QM based methods for application in the condensed phase where polarization and exchange repulsion need to be treated in a balanced fashion.
Christensen, Anders S.; Kromann, Jimmy C.; Jensen, Jan H.; Cui, Qiang
2017-10-01
To facilitate further development of approximate quantum mechanical methods for condensed phase applications, we present a new benchmark dataset of intermolecular interaction energies in the solution phase for a set of 15 dimers, each containing one charged monomer. The reference interaction energy in solution is computed via a thermodynamic cycle that integrates dimer binding energy in the gas phase at the coupled cluster level and solute-solvent interaction with density functional theory; the estimated uncertainty of such calculated interaction energy is ±1.5 kcal/mol. The dataset is used to benchmark the performance of a set of semi-empirical quantum mechanical (SQM) methods that include DFTB3-D3, DFTB3/CPE-D3, OM2-D3, PM6-D3, PM6-D3H+, and PM7 as well as the HF-3c method. We find that while all tested SQM methods tend to underestimate binding energies in the gas phase with a root-mean-squared error (RMSE) of 2-5 kcal/mol, they overestimate binding energies in the solution phase with an RMSE of 3-4 kcal/mol, with the exception of DFTB3/CPE-D3 and OM2-D3, for which the systematic deviation is less pronounced. In addition, we find that HF-3c systematically overestimates binding energies in both gas and solution phases. As most approximate QM methods are parametrized and evaluated using data measured or calculated in the gas phase, the dataset represents an important first step toward calibrating QM based methods for application in the condensed phase where polarization and exchange repulsion need to be treated in a balanced fashion.
Repulsive DNA-DNA interactions accelerate viral DNA packaging in phage phi29
Keller, Nicholas; delToro, Damian; Grimes, Shelley; Jardine, Paul J.; Smith, Douglas E.
2014-01-01
We use optical tweezers to study the effect of attractive versus repulsive DNA-DNA interactions on motor-driven viral packaging. Screening of repulsive interactions accelerates packaging, but induction of attractive interactions by spermidine3+ causes heterogeneous dynamics. Acceleration is observed in a fraction of complexes, but most exhibit slowing and stalling, suggesting that attractive interactions promote nonequilibrium DNA conformations that impede the motor. Thus, repulsive interacti...
Repulsive DNA-DNA interactions accelerate viral DNA packaging in phage Phi29.
Keller, Nicholas; delToro, Damian; Grimes, Shelley; Jardine, Paul J; Smith, Douglas E
2014-06-20
We use optical tweezers to study the effect of attractive versus repulsive DNA-DNA interactions on motor-driven viral packaging. Screening of repulsive interactions accelerates packaging, but induction of attractive interactions by spermidine(3+) causes heterogeneous dynamics. Acceleration is observed in a fraction of complexes, but most exhibit slowing and stalling, suggesting that attractive interactions promote nonequilibrium DNA conformations that impede the motor. Thus, repulsive interactions facilitate packaging despite increasing the energy of the theoretical optimum spooled DNA conformation.
Poisson equation in the Kohn-Sham Coulomb problem
Manby, F. R.; Knowles, Peter James
2001-01-01
We apply the Poisson equation to the quantum mechanical Coulomb problem for many-particle systems. By introducing a suitable basis set, the two-electron Coulomb integrals become simple overlaps. This offers the possibility of very rapid linear-scaling treatment of the Coulomb contribution to Kohn-Sham theory.
Optical absorptions of an exciton in a quantum ring: Effect of the repulsive core
International Nuclear Information System (INIS)
Xie, Wenfang
2013-01-01
We study the optical absorptions of an exciton in a quantum ring. The quantum ring is described as a circular quantum dot with a repulsive core. The advantage of our methodology is that one can investigate the influence of the repulsive core by varying two parameters in the confinement potential. The linear, third-order nonlinear and total optical absorption coefficients have been examined with the change of the confinement potential. The results show that the optical absorptions are strongly affected by the repulsive core. Moreover, the repulsive core can influence the oscillation in the resonant peak of the absorption coefficients.
Repulsive Gravity in the Oppenheimer-Snyder Collapsar
Directory of Open Access Journals (Sweden)
Marshall T. W.
2016-07-01
Full Text Available The Oppenheimer-Snyder metric for a collapsing dust ball has a well defined equilib- rium state when the time coordinate goes to plus infinity. The entire ball is contained within the gravitational radius r 0 , but half of its content lies within a thin shell between r 0 and 0 : 94 r 0 . This state has the acausal property that no light ray escapes from it, but if one boundary condition at the surface, which Oppenheimer and Snyder imposed without justification, is removed, then all points in the interior remain in causal contact by null geodesics with the exterior. This modification causes the half shell’s interior radius to increase to 0 : 97 r 0 . Together with the results of a previous article on the den- sity inside a spherosymmetric neutron star, the present results indicate that, in contrast with the universal attraction of Newtonian gravity, General Relativity gives gravitational repulsion at high density.
Attractive and Repulsive Forces on Particles in Oscillatory Flow
Agarwal, Siddhansh; Rallabandi, Bhargav; Raju, David; Thameem, Raqeeb; Hilgenfeldt, Sascha
2016-11-01
A large class of oscillating flows gives rise to rectified streaming motion of the fluid. It has recently been shown that particle transport in such flows, excited by bubbles oscillating at ultrasound frequencies, leads to differential displacement and efficient sorting of microparticles by size. We derive a general expression for the instantaneous radial force experienced by a small spherical particle in the vicinity of an oscillating interface, and generalize the radial projection of the Maxey-Riley equation to include this effect. Varying relevant system parameters, we show that the net effect on the particle can be either an attraction to or a repulsion from the bubble surface, depending in particular on the particle size and the particle/fluid density contrast. We demonstrate that these predictions are in agreement with a variety of experiments.
Review - On-chip diamagnetic repulsion in continuous flow
Directory of Open Access Journals (Sweden)
Mark D Tarn, Noriyuki Hirota, Alexander Iles and Nicole Pamme
2009-01-01
Full Text Available We explore the potential of a microfluidic continuous flow particle separation system based on the repulsion of diamagnetic materials from a high magnetic field. Diamagnetic polystyrene particles in paramagnetic manganese (II chloride solution were pumped into a microfluidic chamber and their deflection behaviour in a high magnetic field applied by a superconducting magnet was investigated. Two particle sizes (5 and 10 μm were examined in two concentrations of MnCl2 (6 and 10%. The larger particles were repelled to a greater extent than the smaller ones, and the effect was greatly enhanced when the particles were suspended in a higher concentration of MnCl2. These findings indicate that the system could be viable for the separation of materials of differing size and/or diamagnetic susceptibility, and as such could be suitable for the separation and sorting of small biological species for subsequent studies.
Instant transformation of learned repulsion into motivational "wanting".
Robinson, Mike J F; Berridge, Kent C
2013-02-18
Learned cues for pleasant reward often elicit desire, which, in addicts, may become compulsive. According to the dominant view in addiction neuroscience and reinforcement modeling, such desires are the simple products of learning, coming from a past association with reward outcome. We demonstrate that cravings are more than merely the products of accumulated pleasure memories-even a repulsive learned cue for unpleasantness can become suddenly desired via the activation of mesocorticolimbic circuitry. Rats learned repulsion toward a Pavlovian cue (a briefly-inserted metal lever) that always predicted an unpleasant Dead Sea saltiness sensation. Yet, upon first reencounter in a novel sodium-depletion state to promote mesocorticolimbic reactivity (reflected by elevated Fos activation in ventral tegmentum, nucleus accumbens, ventral pallidum, and the orbitofrontal prefrontal cortex), the learned cue was instantly transformed into an attractive and powerful motivational magnet. Rats jumped and gnawed on the suddenly attractive Pavlovian lever cue, despite never having tasted intense saltiness as anything other than disgusting. Instant desire transformation of a learned cue contradicts views that Pavlovian desires are essentially based on previously learned values (e.g., prediction error or temporal difference models). Instead desire is recomputed at reencounter by integrating Pavlovian information with the current brain/physiological state. This powerful brain transformation reverses strong learned revulsion into avid attraction. When applied to addiction, related mesocorticolimbic transformations (e.g., drugs or neural sensitization) of cues for already-pleasant drug experiences could create even more intense cravings. This cue/state transformation helps define what it means to say that addiction hijacks brain limbic circuits of natural reward. Copyright © 2013 Elsevier Ltd. All rights reserved.
From repulsive to attractive glass: A rheological investigation.
Zhou, Zhi; Jia, Di; Hollingsworth, Javoris V; Cheng, He; Han, Charles C
2015-12-21
Linear rheological properties and yielding behavior of polystyrene core and poly (N-isopropylacrylamide) (PNIPAM) shell microgels were investigated to understand the transition from repulsive glass (RG) to attractive glass (AG) and the A3 singularity. Due to the volume phase transition of PNIPAM in aqueous solution, the microgel-microgel interaction potential gradually changes from repulsive to attractive. In temperature and frequency sweep experiments, the storage modulus (G') and loss modulus (G″) increased discontinuously when crossing the RG-to-AG transition line, while G' at low frequency exhibited a different volume fraction (Φ) dependence. By fitting the data of RG and AG, and then extrapolating to high volume fraction, the difference between RG and AG decreased and the existence of A3 singularity was verified. Dynamic strain sweep experiments were conducted to confirm these findings. RG at 25 °C exhibited one-step yielding, whereas AG at 40 °C showed a typical two-step yielding behavior; the first yielding strain remained constant and the second one gradually decreased as the volume fraction increased. By extrapolating the second yield strain to that of the first one, the predicted A3 singularity was at 0.61 ± 0.02. At 37 °C, when Φeff = 0.59, AG showed one step yielding as the length of the attractive bond increased. The consistency and agreement of the experimental results reaffirmed the existence of A3 singularity, where the yielding behavior of RG and AG became identical.
Intermolecular cleavage by UmuD-like mutagenesis proteins
McDonald, John P.; Frank, Ekaterina G.; Levine, Arthur S.; Woodgate, Roger
1998-01-01
The activity of a number of proteins is regulated by self-processing reactions. Elegant examples are the cleavage of the prokaryotic LexA and λCI transcriptional repressors and the UmuD-like mutagenesis proteins. Various studies support the hypothesis that LexA and λCI cleavage reactions are predominantly intramolecular in nature. The recently described crystal structure of the Escherichia coli UmuD′ protein (the posttranslational cleavage product of the UmuD protein) suggests, however, that the region of the protein corresponding to the cleavage site is at least 50 Å away from the catalytic active site. We considered the possibility, therefore, that the UmuD-like proteins might undergo self-processing that, in contrast to LexA and λCI, occurs via an intermolecular rather than intramolecular reaction. To test this hypothesis, we introduced into E. coli compatible plasmids with mutations at either the cleavage or the catalytic site of three UmuD-like proteins. Cleavage of these proteins only occurs in the presence of both plasmids, indicating that the reaction is indeed intermolecular in nature. Furthermore, this intermolecular reaction is completely dependent upon the multifunctional RecA protein and leads to the restoration of cellular mutagenesis in nonmutable E. coli strains. Intermolecular cleavage of a biotinylated UmuD active site mutant was also observed in vitro in the presence of the wild-type UmuD′ protein, indicating that in addition to the intact UmuD protein, the normal cleavage product (UmuD′) can also act as a classical enzyme. PMID:9465040
Highly Stereoselective Intermolecular Haloetherification and Haloesterification of Allyl Amides
Soltanzadeh, Bardia; Jaganathan, Arvind; Staples, Richard J.
2016-01-01
An organocatalytic and highly regio-, diastereo-, and enantioselective intermolecular haloetherification and haloesterification reaction of allyl amides is reported. A variety of alkene substituents and substitution patterns are compatible with this chemistry. Notably, electronically unbiased alkene substrates exhibit exquisite regio- and diastereoselectivity for the title transformation. We also demonstrate that the same catalytic system can be used in both chlorination and bromination reactions of allyl amides with a variety of nucleophiles with little or no modification. PMID:26110812
Coulomb gap triptych in a periodic array of metal nanocrystals.
Chen, Tianran; Skinner, Brian; Shklovskii, B I
2012-09-21
The Coulomb gap in the single-particle density of states (DOS) is a universal consequence of electron-electron interaction in disordered systems with localized electron states. Here we show that in arrays of monodisperse metallic nanocrystals, there is not one but three identical adjacent Coulomb gaps, which together form a structure that we call a "Coulomb gap triptych." We calculate the DOS and the conductivity in two- and three-dimensional arrays using a computer simulation. Unlike in the conventional Coulomb glass models, in nanocrystal arrays the DOS has a fixed width in the limit of large disorder. The Coulomb gap triptych can be studied via tunneling experiments.
Determination of intermolecular transfer integrals from DFT calculations
Energy Technology Data Exchange (ETDEWEB)
Baumeier, Bjoern; Andrienko, Denis [Max-Planck Institute for Polymer Research, Mainz (Germany)
2010-07-01
Theoretical studies of charge transport in organic conducting systems pose a unique challenge since they require multiscale schemes that combine quantum-chemical, molecular dynamics and kinetic Monte-Carlo calculations. The description of the mobility of electrons and holes in the hopping regime relies on the determination of intermolecular hopping rates in large scale morphologies. Using Marcus theory these rates can be calculated from intermolecular transfer integrals and on-site energies. Here we present a detailed computational study on the accuracy and efficiency of density-functional theory based approaches to the determination of intermolecular transfer integrals. First, it is demonstrated how these can be obtained from quantum-chemistry calculations by forming the expectation value of a dimer Fock operator with frontier orbitals of two neighboring monomers based on a projective approach. We then consider the prototypical example of one pair out of a larger morphology of Tris(8-hydroxyquinolinato)aluminium (Alq3) and study the influence of computational parameters, e.g. the choice of basis sets, exchange-correlation functional, and convergence criteria, on the calculated transfer integrals. The respective accuracies and efficiencies are compared in order to derive an optimal strategy for future simulations based on the full morphology.
Competing Intramolecular vs. Intermolecular Hydrogen Bonds in Solution
Directory of Open Access Journals (Sweden)
Peter I. Nagy
2014-10-01
Full Text Available A hydrogen bond for a local-minimum-energy structure can be identified according to the definition of the International Union of Pure and Applied Chemistry (IUPAC recommendation 2011 or by finding a special bond critical point on the density map of the structure in the framework of the atoms-in-molecules theory. Nonetheless, a given structural conformation may be simply favored by electrostatic interactions. The present review surveys the in-solution competition of the conformations with intramolecular vs. intermolecular hydrogen bonds for different types of small organic molecules. In their most stable gas-phase structure, an intramolecular hydrogen bond is possible. In a protic solution, the intramolecular hydrogen bond may disrupt in favor of two solute-solvent intermolecular hydrogen bonds. The balance of the increased internal energy and the stabilizing effect of the solute-solvent interactions regulates the new conformer composition in the liquid phase. The review additionally considers the solvent effects on the stability of simple dimeric systems as revealed from molecular dynamics simulations or on the basis of the calculated potential of mean force curves. Finally, studies of the solvent effects on the type of the intermolecular hydrogen bond (neutral or ionic in acid-base complexes have been surveyed.
International Nuclear Information System (INIS)
Fan, J.D.; Malozovsky, Y.M.
2013-01-01
Highlights: • In a layered 2D cuprates the long-range order antiferromagnetism is driven mainly by the Van Hove singularity. • The long-range antiferromagnetism quickly disappear with doping away from the Van Hove singularity. • For pnictides the antiferromagnetism exists as a result of the nesting condition. • Since the doping steadily changes the nesting conditions, the antiferromagnetism and superconductivity may coexist. -- Abstract: We consider the Hubbard model in terms of the perturbative diagrammatic approach (UN F ⩽1) where the interaction between two electrons with antiparallel spins in the lowest order of perturbation is described by the short-range repulsive contact (on-site) interaction (U>0). We argue that in layered 2D cuprates the long-range order antiferromagnetism is driven mainly by the Van Hove singularity, whereas in the case of pnictides the antiferromagnetism exists as a result of the nesting condition. We show that when the interaction is quite strong (UN F ≈1) in the case of the Van Hove singularity the electron system undergoes the antiferromagnetic phase transition with the log-range order parameter and large insulating gap. The long-range antiferromagnetism quickly disappear, as shown, with the doping away from the Van Hove singularity, but the antiferromagnetic short-range correlation persists (UN F < 1) due to Coulomb repulsive interaction which is the mechanism for superconductivity in cuprates. We argue that in the case of pnictides the antiferromagnetism appears when the nesting conditions for the Fermi surface are met. Since the doping steadily changes the nesting conditions, the antiferromagnetism and superconductivity may coexist as has been observed in pnictides. We show that the proximity of the antiferromagnetism and superconductivity implies the repulsive interaction between electrons, which turns into attractive between quasiparticles as shown by the authors in the article published on the same issue as this one
Core polarization and Coulomb displacement energies
International Nuclear Information System (INIS)
Shlomo, S.; Love, W.G.
1982-01-01
The contributions of core polarization terms (other than the Auerbach-Kahana-Weneser (AKW) effect) to Coulomb displacement energies of mirror nuclei near A = 16 and A = 40 are examined within the particle-vibration coupling model. The parameters of the model are determined using updated data on the locations and strengths of multipole core excitations. In the absence of relevant data an energy-weighted sum rule (EWSR) is exploited. Taking into account multipole excitations up to L = 5 and subtracting the contributions which are due to short-range correlations, significant contributions (1-3%) to ΔEsub(c) are found. These corrections arise from particle coupling to low-lying collective states (long-range correlations). The implications of these results on the Coulomb energy problem are discussed. (Auth.)
Nuclear sizes and the Coulomb Displacement Energy
International Nuclear Information System (INIS)
Van der Werf, S.Y.
1997-01-01
Data on Coulomb Displacement Energies in the mass range A = 40 - 240 are analyzed in the deformed Liquid Drop model and in the independent particle model. Reduced half-widths of Woods-Saxon mean-field potential of the resulting neutron-excess distributions are deduced. It is argued that the Nolen-Schiffer anomaly may be lifted by allowing for a slight binding-energy dependence of the mean-field potential geometry. (author)
Chaos near the Coulomb barrier. Nuclear molecules
International Nuclear Information System (INIS)
Strayer, M.R.
1984-01-01
The present work examines in detail the classical behavior of the α + 14 C and the 12 C + 12 C(O + ) collison at energies near the Coulomb barrier. The long-time motion of the compound nuclear system is identified in terms of its classical quasiperiodic and chaotic behavior. The consequences of this motion are discussed and interpreted in terms of the evolution of the system along a dynamical energy surface. 45 references
Coulomb dissociation studies for astrophysical thermonuclear reactions
Energy Technology Data Exchange (ETDEWEB)
Motobayashi, T [Dept. of Physics, Rikkyo Univ., Toshima, Tokyo (Japan)
1998-06-01
The Coulomb dissociation method was applied to several radiative capture processes of astrophysical interest. The method has an advantage of high experimental efficiency, which allow measurements with radioactive nuclear beams. The reactions {sup 13}N(p,{gamma}){sup 14}O and {sup 7}Be(p,{gamma}){sup 8}B are mainly discussed. They are the key reaction in the hot CNO cycle in massive stars and the one closely related to the solar neutrino problem, respectively. (orig.)
Coulomb excitation of radioactive 20, 21Na
Schumaker, M. A.; Cline, D.; Hackman, G.; Pearson, C.; Svensson, C. E.; Wu, C. Y.; Andreyev, A.; Austin, R. A. E.; Ball, G. C.; Bandyopadhyay, D.; Becker, J. A.; Boston, A. J.; Boston, H. C.; Buchmann, L.; Churchman, R.; Cifarelli, F.; Cooper, R. J.; Cross, D. S.; Dashdorj, D.; Demand, G. A.; Dimmock, M. R.; Drake, T. E.; Finlay, P.; Gallant, A. T.; Garrett, P. E.; Green, K. L.; Grint, A. N.; Grinyer, G. F.; Harkness, L. J.; Hayes, A. B.; Kanungo, R.; Lisetskiy, A. F.; Leach, K. G.; Lee, G.; Maharaj, R.; Martin, J.-P.; Moisan, F.; Morton, A. C.; Mythili, S.; Nelson, L.; Newman, O.; Nolan, P. J.; Orce, J. N.; Padilla-Rodal, E.; Phillips, A. A.; Porter-Peden, M.; Ressler, J. J.; Roy, R.; Ruiz, C.; Sarazin, F.; Scraggs, D. P.; Waddington, J. C.; Wan, J. M.; Whitbeck, A.; Williams, S. J.; Wong, J.
2009-12-01
The low-energy structures of the radioactive nuclei 20, 21Na have been examined using Coulomb excitation at the TRIUMF-ISAC radioactive ion beam facility. Beams of ˜ 5×106 ions/s were accelerated to 1.7MeV/A and Coulomb excited in a 0.5mg/cm^2 natTi target. Two TIGRESS HPGe clover detectors perpendicular to the beam axis were used for γ -ray detection, while scattered nuclei were observed by the Si detector BAMBINO. For 21Na , Coulomb excitation from the 3/2+ ground state to the first excited 5/2+ state was observed, while for 20Na , Coulomb excitation was observed from the 2+ ground state to the first excited 3+ and 4+ states. For both beams, B ( λ L) values were determined using the 2+ rightarrow 0+ de-excitation in 48Ti as a reference. The resulting B( E2) ↓ value for 21Na is 137±9 e^2fm^4, while the resulting B( λ L) ↓ values for 20Na are 55±6 e^2fm^4 for the 3+ rightarrow 2+ , 35.7±5.7 e^2 fm^4 for the 4+ rightarrow 2+ , and 0.154±0.030 μ_ N^2 for the 4+ rightarrow 3+ transitions. This analysis significantly improves the measurement of the 21Na B( E2) value, and provides the first experimental determination of B( λ L) values for the proton dripline nucleus 20Na .-1
How to calculate the Coulomb scattering amplitude
International Nuclear Information System (INIS)
Grosse, H.; Narnhofer, H.; Thirring, W.
1974-01-01
The derivation of scattering amplitudes for Coulomb scattering is discussed. A derivation of the S-matrix elements for a dense set of states in momentum space is given in the framework of time dependent scattering theory. The convergence of the S-matrix is studied. A purely algebraic derivation of the S-matrix elements and phase shifts is also presented. (HFdV)
International Nuclear Information System (INIS)
Kar, S.; Ho, Y.K.
2009-01-01
We have investigated the doubly excited 1 D e resonance states of Ps - interacting with pure Coulomb and screened Coulomb (Yukawa) potentials employing highly correlated wave functions. For pure Coulomb interaction, in the framework of stabilization method and complex coordinate rotation method we have obtained two resonances below the n = 2 threshold of the Ps atom. For screened Coulomb interaction, we employ the stabilization method to extract resonance parameters. Resonance energies and widths for the 1 D e resonance states of Ps - for different screening parameter ranging from infinity (pure Coulomb case) to a small value are also reported. (author)
Regularization of the Coulomb scattering problem
International Nuclear Information System (INIS)
Baryshevskii, V.G.; Feranchuk, I.D.; Kats, P.B.
2004-01-01
The exact solution of the Schroedinger equation for the Coulomb potential is used within the scope of both stationary and time-dependent scattering theories in order to find the parameters which determine the regularization of the Rutherford cross section when the scattering angle tends to zero but the distance r from the center remains finite. The angular distribution of the particles scattered in the Coulomb field is studied on rather a large but finite distance r from the center. It is shown that the standard asymptotic representation of the wave functions is inapplicable in the case when small scattering angles are considered. The unitary property of the scattering matrix is analyzed and the 'optical' theorem for this case is discussed. The total and transport cross sections for scattering the particle by the Coulomb center proved to be finite values and are calculated in the analytical form. It is shown that the effects under consideration can be important for the observed characteristics of the transport processes in semiconductors which are determined by the electron and hole scattering by the field of charged impurity centers
Coulomb explosion of large penetrating molecular clusters
International Nuclear Information System (INIS)
Wegner, H.E.; Thieberger, P.
1981-01-01
The main purpose of these Coulomb explosion measurements is to determine what kind of structure these and other complex molecules may have and also to determine what other special phenomena may come into play as these complex molecules pass through matter. Although the first preliminary measurements involving the Coulomb explosion of these molecules was reported at this workshop last year, the results are briefly summarized before going on to the more recent measurements obtained with a completely new kind of detector system. This new image intensifier detector system, coupled with a microcomputer, has proven to be a valuable tool in the study of the Coulomb explosion of complex molecules that penetrate matter. In the future, with some additional improvements in the system, and much better statistics for most of the molecules studied to date, it is expected that much new information will be gained about the structure of many kinds of complex molecular ions including the special effects that may be encountered when these fast molecular ions penetrate matter
Coulomb Logarithm in Nonideal and Degenerate Plasmas
Filippov, A. V.; Starostin, A. N.; Gryaznov, V. K.
2018-03-01
Various methods for determining the Coulomb logarithm in the kinetic theory of transport and various variants of the choice of the plasma screening constant, taking into account and disregarding the contribution of the ion component and the boundary value of the electron wavevector are considered. The correlation of ions is taken into account using the Ornstein-Zernike integral equation in the hypernetted-chain approximation. It is found that the effect of ion correlation in a nondegenerate plasma is weak, while in a degenerate plasma, this effect must be taken into account when screening is determined by the electron component alone. The calculated values of the electrical conductivity of a hydrogen plasma are compared with the values determined experimentally in the megabar pressure range. It is shown that the values of the Coulomb logarithm can indeed be smaller than unity. Special experiments are proposed for a more exact determination of the Coulomb logarithm in a magnetic field for extremely high pressures, for which electron scattering by ions prevails.
Cold transfer between deformed, Coulomb excited nuclei
International Nuclear Information System (INIS)
Bauer, H.
1998-01-01
The scattering system 162 Dy → 116 Sn has been examined at energies in the vicinity of the Coulomb barrier using the Heidelberg-Darmstadt Crystal Ball spectrometer combined with 5 Germanium-CLUSTER detectors. In order to study pairing correlations as a function of angular momentum cold events were selected in the 2n stripping channel by identifying and suppressing the dominant hot part of the transfer with the Crystal Ball. The CLUSTER detectors with their high γ-efficiency were used to identify the transfer channel and to resolve individual final states. Cross sections for the population of individual yrast states in a cold transfer reaction have been measured for the first time indicating the strong influence of higher transfer multipolarities. At small surface distances Coulomb-nuclear interferences were found to be responsible for the stronger decline of the population of higher yrast states in the transfer channel as compared to the Coulex channel. As a preparatory study for 2n transfer measurements between high spin yrast states in the backbending region of deformed nuclei the Coulomb excitation process in the crossing region of two bands in 162 Dy has been analyzed. The gross properties of the measured population probabilities could be interpreted in a simple band mixing model. (orig.)
Coulomb-free and Coulomb-distorted recolliding quantum orbits in photoelectron holography
Maxwell, A. S.; Figueira de Morisson Faria, C.
2018-06-01
We perform a detailed analysis of the different types of orbits in the Coulomb quantum orbit strong-field approximation (CQSFA), ranging from direct to those undergoing hard collisions. We show that some of them exhibit clear counterparts in the standard formulations of the strong-field approximation for direct and rescattered above-threshold ionization, and show that the standard orbit classification commonly used in Coulomb-corrected models is over-simplified. We identify several types of rescattered orbits, such as those responsible for the low-energy structures reported in the literature, and determine the momentum regions in which they occur. We also find formerly overlooked interference patterns caused by backscattered Coulomb-corrected orbits and assess their effect on photoelectron angular distributions. These orbits improve the agreement of photoelectron angular distributions computed with the CQSFA with the outcome of ab initio methods for high energy phtotoelectrons perpendicular to the field polarization axis.
International Nuclear Information System (INIS)
Papp, Z.; Plessas, W.
1996-01-01
We demonstrate the feasibility and efficiency of the Coulomb-Sturmian separable expansion method for generating accurate solutions of the Faddeev equations. Results obtained with this method are reported for several benchmark cases of bosonic and fermionic three-body systems. Correct bound-state results in agreement with the ones established in the literature are achieved for short-range interactions. We outline the formalism for the treatment of three-body Coulomb systems and present a bound-state calculation for a three-boson system interacting via Coulomb plus short-range forces. The corresponding result is in good agreement with the answer from a recent stochastic-variational-method calculation. copyright 1996 The American Physical Society
Thermodynamics and elastic moduli of fluids with steeply repulsive potentials
Heyes, D. M.
1997-08-01
Analytic expressions for the thermodynamic properties and elastic moduli of molecular fluids interacting with steeply repulsive potentials are derived using Rowlinson's hard-sphere perturbation treatment which employs a softness parameter, λ specifying the deviation from the hard-sphere potential. Generic potentials of this form might be used to represent the interactions between near-hard-sphere stabilized colloids. Analytic expressions for the equivalent hard-sphere diameter of inverse power [ɛ(σ/r)n where ɛ sets the energy scale and σ the distance scale] exponential and logarithmic potential forms are derived using the Barker-Henderson formula. The internal energies in the hard-sphere limit are predicted essentially exactly by the perturbation approach when compared against molecular dynamics simulation data using the same potentials. The elastic moduli are similarly accurately predicted in the hard-sphere limit, as they are trivially related to the internal energy. The compressibility factors from the perturbation expansion do not compare as favorably with simulation data, and in this case the Carnahan-Starling equation of state prediction using the analytic effective hard-sphere diameter would appear to be a preferable route for this thermodynamic property. A more refined state point dependent definition for the effective hard-sphere diameter is probably required for this property.
Highly effective photonic cue for repulsive axonal guidance.
Directory of Open Access Journals (Sweden)
Bryan J Black
Full Text Available In vivo nerve repair requires not only the ability to regenerate damaged axons, but most importantly, the ability to guide developing or regenerating axons along paths that will result in functional connections. Furthermore, basic studies in neuroscience and neuro-electronic interface design require the ability to construct in vitro neural circuitry. Both these applications require the development of a noninvasive, highly effective tool for axonal growth-cone guidance. To date, a myriad of technologies have been introduced based on chemical, electrical, mechanical, and hybrid approaches (such as electro-chemical, optofluidic flow and photo-chemical methods. These methods are either lacking in desired spatial and temporal selectivity or require the introduction of invasive external factors. Within the last fifteen years however, several attractive guidance cues have been developed using purely light based cues to achieve axonal guidance. Here, we report a novel, purely optical repulsive guidance technique that uses low power, near infrared light, and demonstrates the guidance of primary goldfish retinal ganglion cell axons through turns of up to 120 degrees and over distances of ∼90 µm.
Modeling Adsorption-Desorption Processes at the Intermolecular Interactions Level
Varfolomeeva, Vera V.; Terentev, Alexey V.
2018-01-01
Modeling of the surface adsorption and desorption processes, as well as the diffusion, are of considerable interest for the physical phenomenon under study in ground tests conditions. When imitating physical processes and phenomena, it is important to choose the correct parameters to describe the adsorption of gases and the formation of films on the structural materials surface. In the present research the adsorption-desorption processes on the gas-solid interface are modeled with allowance for diffusion. Approaches are proposed to describe the adsorbate distribution on the solid body surface at the intermolecular interactions level. The potentials of the intermolecular interaction of water-water, water-methane and methane-methane were used to adequately modeling the real physical and chemical processes. The energies calculated by the B3LYP/aug-cc-pVDZ method. Computational algorithms for determining the average molecule area in a dense monolayer, are considered here. Differences in modeling approaches are also given: that of the proposed in this work and the previously approved probabilistic cellular automaton (PCA) method. It has been shown that the main difference is due to certain limitations of the PCA method. The importance of accounting the intermolecular interactions via hydrogen bonding has been indicated. Further development of the adsorption-desorption processes modeling will allow to find the conditions for of surface processes regulation by means of quantity adsorbed molecules control. The proposed approach to representing the molecular system significantly shortens the calculation time in comparison with the use of atom-atom potentials. In the future, this will allow to modeling the multilayer adsorption at a reasonable computational cost.
An approach to the intermolecular energy in pure liquids
Directory of Open Access Journals (Sweden)
GAbriel Hernández de la Torre
2010-07-01
Full Text Available Se propone un método para: estimar la energía potencial de repulsión de cualquier molécula central como una función de las densidades ortobáricas en líquidos puros no auto asociados; estimar los parámetros necesarios para calcular la energía de dispersión de London; calcular los números de coordinación promedio, distancias intermoleculares de interacción, diámetros moleculares y de grupos; en moléculas globulares, moléculas planas y parafinas normales.
Subcycle dynamics of Coulomb asymmetry in strong elliptical laser fields.
Li, Min; Liu, Yunquan; Liu, Hong; Ning, Qicheng; Fu, Libin; Liu, Jie; Deng, Yongkai; Wu, Chengyin; Peng, Liang-You; Peng, Liangyou; Gong, Qihuang
2013-07-12
We measure photoelectron angular distributions of noble gases in intense elliptically polarized laser fields, which indicate strong structure-dependent Coulomb asymmetry. Using a dedicated semiclassical model, we have disentangled the contribution of direct ionization and multiple forward scattering on Coulomb asymmetry in elliptical laser fields. Our theory quantifies the roles of the ionic potential and initial transverse momentum on Coulomb asymmetry, proving that the small lobes of asymmetry are induced by direct ionization and the strong asymmetry is induced by multiple forward scattering in the ionic potential. Both processes are distorted by the Coulomb force acting on the electrons after tunneling. Lowering the ionization potential, the relative contribution of direct ionization on Coulomb asymmetry substantially decreases and Coulomb focusing on multiple rescattering is more important. We do not observe evident initial longitudinal momentum spread at the tunnel exit according to our simulation.
Coulomb excitation of {sup 8}Li
Energy Technology Data Exchange (ETDEWEB)
Assuncao, Marlete; Britos, Tatiane Nassar [Universidade Federal de Sao Paulo (UNIFESP), SP (Brazil). Dept. de Ciencias Exatas e da Terra; Descouvemont, Pierre [Universite Libre de Bruxelles (ULB), Brussels (Belgium). Physique Nucleaire Theorique et Physique Mathematique; Lepine-Szily, Alinka; Lichtenthaler Filho, Rubens; Barioni, Adriana; Silva, Diego Medeiros da; Pereira, Dirceu; Mendes Junior, Djalma Rosa; Pires, Kelly Cristina Cezaretto; Gasques, Leandro Romero; Morais, Maria Carmen; Added, Nemitala; Neto Faria, Pedro; Rec, Rafael [Universidade de Sao Paulo (IF/USP), SP (Brazil). Inst. de Fisica. Dept. de Fisica Nuclear
2012-07-01
Full text: This work shows the Coulomb Excitation of {sup 8}Li on targets that have effectively behavior of Rutherford in angles and energies of interest for determining the value of the B(E2) electromagnetic transition. Theoretical aspects involved in this type of measure, known as COULEX [1], and some results in the literature [2-3] will be presented. Some problems with the targets and measurement system while performing an experiment on Coulomb Excitation of {sup 8}Li will be discussed: the energy resolution, background, possible contributions of the primary beam and also the excited states of the target near the region of elastic and inelastic peaks. They will be illustrated by measurements of the Coulomb Excitation of {sup 8}Li on targets of {sup 197}Au and {sup 208}Pb using the system RIBRAS(Brazilian Radioactive Ion Beam). In this case, the {sup 8}Li beam(T{sub 1/2} = 838 ms)is produced by {sup 9}Be({sup 7}Li;{sup 8} Li){sup 8}Be reaction from RIBRAS system which is installed at Instituto de Fisica of the Universidade de Sao Paulo. The primary {sup 7L}i beam is provided by Pelletron Accelerator. [1] K. Alder and A. Winther, Electromagnetic Excitation, North-Holland, New York, 1975; [2] P. Descouvemont and D. Baye, Phys. Letts. B 292, 235-238, 1992; [3] J. A. Brown, F. D. Becchetti, J. W. Jaenecke, K, Ashktorab, and D. A. Roberts, J. J. Kolata, R. J. Smith, and K. Lamkin, R. E. Warner, Phys. Rev. Letts., 66, 19, 1991; [4] R. J. Smith, J. J Kolata, K. Lamkin and A. Morsard, F. D. Becchetti, J. A. Brown, W. Z. Liu, J. W. Jaenecke, and D. A. Roberts, R. E. Warner, Phys. Rev. C, 43, 5, 1991. (author)
Ordering transitions induced by Coulomb interactions
International Nuclear Information System (INIS)
Rovere, M.; Senatore, G.; Tosi, M.P.
1988-11-01
We briefly review recent progress in treating phase transitions to ordered states driven by Coulomb interactions. Wigner crystallization of the one-component plasma, in the degenerate Fermi limit and in the classical limit, is the foremost example and developments in its theory are discussed in some detail. Attention is also given to quasi-twodimensional realizations of the plasma model in the laboratory. The usefulness of these ideas in relation to freezing and ordering transitions is illustrated with reference to alkali metals, elemental and polar semiconductors, and various types of ionic systems (molten salts, colloidal suspensions and astrophysical plasmas). (author). 70 refs, 5 figs
Hyperon excitation in nuclear coulomb field
International Nuclear Information System (INIS)
Vanyashin, A.V.; Nikitin, Yu.P.; Shan'gin, A.A.
1981-01-01
A possibility is studied to measure radiative decay partial widths from the 3/2 + decuplet hyperon resonances by means of the Coulomb excitation method of the octet hyperons. The expected contributions from the strong and electromagnetic interactions in the coherence range to the hyperon excitation cross sections on heavy nuclei and on the 4 He nucleus are estimated. The particle angular distributions in the reactions Σ-+A→Σ-(1385)+A and Λ+A→Σ 0 (1385)+A are analysed in order to determine the energy range where the background conditions are the most favorable to extract the electromagnetic mechanism of the hyperon excitation [ru
Resonances in the two centers Coulomb system
Energy Technology Data Exchange (ETDEWEB)
Seri, Marcello
2012-09-14
In this work we investigate the existence of resonances for two-centers Coulomb systems with arbitrary charges in two and three dimensions, defining them in terms of generalized complex eigenvalues of a non-selfadjoint deformation of the two-center Schroedinger operator. After giving a description of the bifurcation of the classical system for positive energies, we construct the resolvent kernel of the operators and we prove that they can be extended analytically to the second Riemann sheet. The resonances are then defined and studied with numerical methods and perturbation theory.
Resonances in the two centers Coulomb system
International Nuclear Information System (INIS)
Seri, Marcello
2012-01-01
In this work we investigate the existence of resonances for two-centers Coulomb systems with arbitrary charges in two and three dimensions, defining them in terms of generalized complex eigenvalues of a non-selfadjoint deformation of the two-center Schroedinger operator. After giving a description of the bifurcation of the classical system for positive energies, we construct the resolvent kernel of the operators and we prove that they can be extended analytically to the second Riemann sheet. The resonances are then defined and studied with numerical methods and perturbation theory.
Dynamics in few body Coulomb problems
International Nuclear Information System (INIS)
Ovchinnikov, S.Y.; Macek, J.H.; Tantawi, R.S.; Sabbah, A.S.
1999-01-01
We develop the 'positive energy Sturmian technique' for the solution of time-dependent Schroedinger equations which describe few Coulomb centers with scattering initial conditions. The 'positive energy Sturmian technique' is based on the following main steps: (i) time-dependent scaled transformation; (ii) Fourier transformation into the frequency domain; (iii) outgoing wave Sturmian expansions; and (iv) solution of coupled equations. The technique has been applied in electron-atom and ion-atom collisions for calculations of energy and angular distributions of emitted electrons and excitations of atoms. Refs. 2 (author)
Design of a smart haptic system for repulsive force control under irregular manipulation environment
International Nuclear Information System (INIS)
Lee, Sang-Rock; Choi, Seung-Hyun; Choi, Seung-Bok; Cho, Myeong-Woo
2014-01-01
This paper describes how to make an operator feel the desired repulsive force in a haptic system. When an operator manipulates a haptic system, the repulsive force of the operator varies significantly, depending on many factors such as position, velocity and force. In order to reflect the desired repulsive force to the operator, it is commonly known that a haptic system must compensate for irregularly changing forces. The irregularity of the forces, however, has discouraged many researchers from establishing a clear principle on how to make the operator feel the desired repulsive force. To resolve this problem, we introduce a smart haptic framework that can reflect the desired repulsive force to the operator, regardless of the operator’s movement. A dummy governing equation technique is introduced and used to calculate the proper actuating force in real time. The actuating force is generated by a PID controller. To verify the proposed method, a mathematical proof is offered to show that the repulsive force converges to the desired repulsive force. Additionally, to demonstrate the performance of the proposed method, simulational and experimental tests are implemented. (paper)
International Nuclear Information System (INIS)
Liu, Haoyang Haven; Lanphere, Jacob; Walker, Sharon; Cohen, Yoram
2015-01-01
The effect of hydration repulsion on the agglomeration of nanoparticles in aqueous suspensions was investigated via the description of agglomeration by the Smoluchowski coagulation equation using constant number Monte–Carlo simulation making use of the classical DLVO theory extended to include the hydration repulsion energy. Evaluation of experimental DLS measurements for TiO 2 , CeO 2 , SiO 2 , and α-Fe 2 O 3 (hematite) at high IS (up to 900 mM) or low |ζ-potential| (≥1.35 mV) demonstrated that hydration repulsion energy can be above electrostatic repulsion energy such that the increased overall repulsion energy can significantly lower the agglomerate diameter relative to the classical DLVO prediction. While the classical DLVO theory, which is reasonably applicable for agglomeration of NPs of high |ζ-potential| (∼>35 mV) in suspensions of low IS (∼<1 mM), it can overpredict agglomerate sizes by up to a factor of 5 at high IS or low |ζ-potential|. Given the potential important role of hydration repulsion over a range of relevant conditions, there is merit in quantifying this repulsion energy over a wide range of conditions as part of overall characterization of NP suspensions. Such information would be of relevance to improved understanding of NP agglomeration in aqueous suspensions and its correlation with NP physicochemical and solution properties. (paper)
Bound and resonant states in Coulomb-like potentials
International Nuclear Information System (INIS)
Papp, Z.
1985-12-01
The potential separable expansion method was generalized for calculating bound and resonant states in Coulomb-like potentials. The complete set of Coulomb-Sturmian functions was taken as the basis to expand the short-range potential. On this basis the matrix elements of the Coulomb-Green functions were given in closed form as functions of the (complex) energy. The feasibility of the method is demonstrated by a numerical example. (author)
3D Oscillator and Coulomb Systems reduced from Kahler spaces
Nersessian, Armen; Yeranyan, Armen
2003-01-01
We define the oscillator and Coulomb systems on four-dimensional spaces with U(2)-invariant Kahler metric and perform their Hamiltonian reduction to the three-dimensional oscillator and Coulomb systems specified by the presence of Dirac monopoles. We find the Kahler spaces with conic singularity, where the oscillator and Coulomb systems on three-dimensional sphere and two-sheet hyperboloid are originated. Then we construct the superintegrable oscillator system on three-dimensional sphere and ...
Coulomb sum rules in the relativistic Fermi gas model
International Nuclear Information System (INIS)
Do Dang, G.; L'Huillier, M.; Nguyen Giai, Van.
1986-11-01
Coulomb sum rules are studied in the framework of the Fermi gas model. A distinction is made between mathematical and observable sum rules. Differences between non-relativistic and relativistic Fermi gas predictions are stressed. A method to deduce a Coulomb response function from the longitudinal response is proposed and tested numerically. This method is applied to the 40 Ca data to obtain the experimental Coulomb sum rule as a function of momentum transfer
Hyperspherical Coulomb spheroidal basis in the Coulomb three-body problem
International Nuclear Information System (INIS)
Abramov, D. I.
2013-01-01
A hyperspherical Coulomb spheroidal (HSCS) representation is proposed for the Coulomb three-body problem. This is a new expansion in the set of well-known Coulomb spheroidal functions. The orthogonality of Coulomb spheroidal functions on a constant-hyperradius surface ρ = const rather than on a constant-internuclear-distance surface R = const, as in the traditional Born-Oppenheimer approach, is a distinguishing feature of the proposed approach. Owing to this, the HSCS representation proves to be consistent with the asymptotic conditions for the scattering problem at energies below the threshold for three-body breakup: only a finite number of radial functions do not vanish in the limit of ρ→∞, with the result that the formulation of the scattering problem becomes substantially simpler. In the proposed approach, the HSCS basis functions are considerably simpler than those in the well-known adiabatic hyperspherical representation, which is also consistent with the asymptotic conditions. Specifically, the HSCS basis functions are completely factorized. Therefore, there arise no problems associated with avoided crossings of adiabatic hyperspherical terms.
Correlated Coulomb drag in capacitively coupled quantum-dot structures
DEFF Research Database (Denmark)
Kaasbjerg, Kristen; Jauho, Antti-Pekka
2016-01-01
We study theoretically Coulomb drag in capacitively coupled quantum dots (CQDs) -- a biasdriven dot coupled to an unbiased dot where transport is due to Coulomb mediated energy transfer drag. To this end, we introduce a master-equation approach which accounts for higher-order tunneling (cotunneling......) processes as well as energy-dependent lead couplings, and identify a mesoscopic Coulomb drag mechanism driven by nonlocal multi-electron cotunneling processes. Our theory establishes the conditions for a nonzero drag as well as the direction of the drag current in terms of microscopic system parameters...... on Coulomb drag in CQD systems....
Empirical Coulomb matrix elements and the mass of 22Al
International Nuclear Information System (INIS)
Whitehead, R.R.; Watt, A.; Kelvin, D.; Rutherford, H.J.
1976-01-01
An attempt has been made to obtain a set of Coulomb matrix elements which fit the known Coulomb energy shifts in the nuclei of mass 18 to 22. The interaction obtained fits the data well with only a few exceptions, one of these being the Coulomb shift of the notorious third 0 + state in 18 Ne. These Coulomb matrix elements are used together with the Chung-Wildenthal interaction to obtain a new prediction for the mass excess of 22 Al. The results indicate that 22 Al should be bound against proton emission. (Auth.)
Asymptotic freedom in the axial and Coulomb gauges
International Nuclear Information System (INIS)
Frenkel, J.; Taylor, J.C.
1976-01-01
The sources of the negative contribution to the charge renormalization factor gsup(B)/g-1 in Yang-Mills theories are investigated in the axial and Coulomb gauges. In the axial gauge, a Kaellen dispersion relation exists but the spectral function is not positive definite because of the prescription that is used to integrate the singular polarization vectors. In the Coulomb gauge, the negative contributions are (to the lowest order) isolated in the Coulomb self-energy corrections to the Coulomb field. (Auth.)
International Nuclear Information System (INIS)
Ikhdair, Sameer M.; Hamzavi, Majid
2013-01-01
Approximate analytical solutions of the Dirac equation for Tietz—Hua (TH) potential including Coulomb-like tensor (CLT) potential with arbitrary spin—orbit quantum number κ are obtained within the Pekeris approximation scheme to deal with the spin—orbit coupling terms κ(κ ± 1)r −2 . Under the exact spin and pseudospin symmetric limitation, bound state energy eigenvalues and associated unnormalized two-component wave functions of the Dirac particle in the field of both attractive and repulsive TH potential with tensor potential are found using the parametric Nikiforov—Uvarov (NU) method. The cases of the Morse oscillator with tensor potential, the generalized Morse oscillator with tensor potential, and the non-relativistic limits have been investigated. (general)
Glass transition of repulsive charged rods (fd-viruses).
Kang, Kyongok
2014-05-14
It has recently been shown that suspensions of long and thin charged fibrous viruses (fd) form a glass at low ionic strengths. The corresponding thick electric double layers give rise to long-ranged repulsive electrostatic interactions, which lead to caging and structural arrest at concentrations far above the isotropic-nematic coexistence region. Structural arrest and freezing of the orientational texture are found to occur at the same concentration. In addition, various types of orientational textures are equilibrated below the glass transition concentration, ranging from a chiral-nematic texture with a large pitch (of about 100 μm), an X-pattern, and a tightly packed domain texture, consisting of helical domains with a relatively small pitch (of about 10 μm) and twisted boundaries. The dynamics of both particles as well as the texture are discussed, below and above the glass transition. Dynamic light scattering correlation functions exhibit two dynamical modes, where the slow mode is attributed to the elasticity of helical domains. On approach of the glass-transition concentration, the slow mode increases in amplitude, while as the amplitudes of the fast and slow mode become equal at the glass transition. Finally, interesting features of the "transient" behaviors of charged fd-rod glass are shown as the initial caging due to structural arrest, the propagation of flow originating from stress release, and the transition to the final metastable glass state. In addition to the intensity correlation function, power spectra are presented as a function of the waiting time, at the zero-frequency limit that may access to the thermal anomalities in a charged system.
Quantitative analysis of intermolecular interactions in orthorhombic rubrene
Directory of Open Access Journals (Sweden)
Venkatesha R. Hathwar
2015-09-01
Full Text Available Rubrene is one of the most studied organic semiconductors to date due to its high charge carrier mobility which makes it a potentially applicable compound in modern electronic devices. Previous electronic device characterizations and first principles theoretical calculations assigned the semiconducting properties of rubrene to the presence of a large overlap of the extended π-conjugated core between molecules. We present here the electron density distribution in rubrene at 20 K and at 100 K obtained using a combination of high-resolution X-ray and neutron diffraction data. The topology of the electron density and energies of intermolecular interactions are studied quantitatively. Specifically, the presence of Cπ...Cπ interactions between neighbouring tetracene backbones of the rubrene molecules is experimentally confirmed from a topological analysis of the electron density, Non-Covalent Interaction (NCI analysis and the calculated interaction energy of molecular dimers. A significant contribution to the lattice energy of the crystal is provided by H—H interactions. The electron density features of H—H bonding, and the interaction energy of molecular dimers connected by H—H interaction clearly demonstrate an importance of these weak interactions in the stabilization of the crystal structure. The quantitative nature of the intermolecular interactions is virtually unchanged between 20 K and 100 K suggesting that any changes in carrier transport at these low temperatures would have a different origin. The obtained experimental results are further supported by theoretical calculations.
Spectral sum for the color-Coulomb potential in SU(3) Coulomb gauge lattice Yang-Mills theory
International Nuclear Information System (INIS)
Nakagawa, Y.; Nakamura, A.; Saito, T.; Toki, H.
2010-01-01
We discuss the essential role of the low-lying eigenmodes of the Faddeev-Popov (FP) ghost operator on the confining color-Coulomb potential using SU(3) quenched lattice simulations in the Coulomb gauge. The color-Coulomb potential is expressed as a spectral sum of the FP ghost operator and has been explored by partially summing the FP eigenmodes. We take into account the Gribov copy effects that have a great impact on the FP eigenvalues and the color-Coulomb potential. We observe that the lowest eigenvalue vanishes in the thermodynamic limit much faster than that in the Landau gauge. The color-Coulomb potential at large distances is governed by the near-zero FP eigenmodes; in particular, the lowest one accounts for a substantial portion of the color-Coulomb string tension comparable to the Wilson string tension.
Isomorphs in the phase diagram of a model liquid without inverse power law repulsion
DEFF Research Database (Denmark)
Veldhorst, Arnold Adriaan; Bøhling, Lasse; Dyre, J. C.
2012-01-01
scattering function are calculated. The results are shown to reflect a hidden scale invariance; despite its exponential repulsion the Buckingham potential is well approximated by an inverse power-law plus a linear term in the region of the first peak of the radial distribution function. As a consequence...... the dynamics of the viscous Buckingham liquid is mimicked by a corresponding model with purely repulsive inverse-power-law interactions. The results presented here closely resemble earlier results for Lennard-Jones type liquids, demonstrating that the existence of strong correlations and isomorphs does...... not depend critically on the mathematical form of the repulsion being an inverse power law....
On the hydrodynamics of a solvent-saturated lipid bilayer. 1. Model of repulsion
International Nuclear Information System (INIS)
Bish, P.M.; Wendel, H.
1983-01-01
A semiphenomenological theory of steric repulsion in black lipid films is developed. The model employs the statistical mechanical formulation of the van der Waals theory of simple liquid-vapour interfaces; it is based on the picture that upon diminishing the film thickness the adjacent interfacial layers start overlapping in the film center raising the degree of orientation of the hydrocarbon segments present there. This fact causes a mutual repulsion of the two film surfaces. The general order parameter profile is found to depend on two parameters which are fixed by means of the results of an experiment which recorded the repulsive force as a function of film thickness. (Author) [pt
Heat Coulomb blockade of one ballistic channel
Sivre, E.; Anthore, A.; Parmentier, F. D.; Cavanna, A.; Gennser, U.; Ouerghi, A.; Jin, Y.; Pierre, F.
2018-02-01
Quantum mechanics and Coulomb interaction dictate the behaviour of small circuits. The thermal implications cover fundamental topics from quantum control of heat to quantum thermodynamics, with prospects of novel thermal machines and an ineluctably growing influence on nanocircuit engineering. Experimentally, the rare observations thus far include the universal thermal conductance quantum and heat interferometry. However, evidence for many-body thermal effects paving the way to markedly different heat and electrical behaviours in quantum circuits remains wanting. Here we report on the observation of the Coulomb blockade of electronic heat flow from a small metallic circuit node, beyond the widespread Wiedemann-Franz law paradigm. We demonstrate this thermal many-body phenomenon for perfect (ballistic) conduction channels to the node, where it amounts to the universal suppression of precisely one quantum of conductance for the transport of heat, but none for electricity. The inter-channel correlations that give rise to such selective heat current reduction emerge from local charge conservation, in the floating node over the full thermal frequency range (laws for thermal transport in nanocircuits.
Coulomb excitation of radioactive {sup 79}Pb
Energy Technology Data Exchange (ETDEWEB)
Lister, C.J.; Blumenthal, D.; Davids, C.N. [and others
1995-08-01
The technical challenges expected in experiments with radioactive beams can already be explored by using ions produced in primary reactions. In addition, the re-excitation of these ions by Coulomb excitation allows a sensitive search for collective states that are well above the yrast line. We are building an experiment to study Coulomb excitation of radioactive ions which are separated from beam particles by the Fragment Mass Analyzer. An array of gamma detectors will be mounted at the focal plane to measure the gamma radiation following re-excitation. Five Compton-suppressed Ge detectors and five planar LEPS detectors will be used. The optimum experiment of this type appears to be the study of {sup 79}Rb following the {sup 24}Mg ({sup 58}Ni,3p) reaction. We calculate that about 5 x 10{sup 5} {sup 79}Rb nuclei/second will reach the excitation foil. This rubidium isotope was selected for study as it is strongly produced and is highly deformed, so easily re-excited. The use of a {sup 58}Ni re-excitation foil offers the best yields. After re-excitation the ions will be subsequently transported into a shielded beamdump to prevent the accumulation of activity.
Dielectric Analysis for Torque of a Solute Ion Coulomb Force Monopole Motor
Fresco, Anthony N.
ASME Technical Paper ES2010-90396 "Solute Ion Coulomb Force Monopole Motor and Solute Ion Linear Alignment Propulsion" by the author describes a motor that is based on an arrangement of solute ion electric field monopoles.[1] That is, through a process called capacitive deionization, sodium and chlorine ions in salt water are captured and confined by an electrically conductive material to form electric field monopoles. At least four of the like charged monopoles (all negative or all positive) can be arranged on a disc. At least one stationary monopole of the same charge is placed adjacent to the disc and positioned so that a repulsive electric field is formed between the stationary monopole and at least one of the monopoles positioned on the disc so that the disc is then forced to rotate a shaft at the center of the disc. This paper analyzes the behavior of the dielectric materials forming part of the monopoles to show that the net torque on the motor is greater than zero and also illustrates a novel effect of polarization of a dielectric material positioned between two like-charged monopoles as occurs in the configuration of the monopole motor and a deficiency in the conventional closed path analysis for work performed during movement of electric charges that emit electrostatic fields by failing to consider the effects of dielectric materials in shielding the electrostatic fields. The monopole motor connected to an to electrical generator can provide continuous on-board electrical power to electrical loads for local and deep space applications including power to electrode assemblies designed for linear alignment of like-charged solute ions as a means of propulsion and particle acceleration as described in the ES2010-90396 paper. Details of the monopole motor and the propulsion are available in WO 2008/024927 A2 (and US2010/0199632 A1) "Solute Ion Coulomb Force Acceleration and Electric Field Monopole Passive Voltage Source" by the author Ref.[2].
Direct measurements of intermolecular forces by chemical force microscopy
Vezenov, Dmitri Vitalievich
1999-12-01
Detailed description of intermolecular forces is key to understanding a wide range of phenomena from molecular recognition to materials failure. The unique features of atomic force microscopy (AFM) to make point contact force measurements with ultra high sensitivity and to generate spatial maps of surface topography and forces have been extended to include measurements between well-defined organic molecular groups. Chemical modification of AFM probes with self-assembled monolayers (SAMs) was used to make them sensitive to specific molecular interactions. This novel chemical force microscopy (CFM) technique was used to probe forces between different molecular groups in a range of environments (vacuum, organic liquids and aqueous solutions); measure surface energetics on a nanometer scale; determine pK values of the surface acid and base groups; measure forces to stretch and unbind a short synthetic DNA duplex and map the spatial distribution of specific functional groups and their ionization state. Studies of adhesion forces demonstrated the important contribution of hydrogen bonding to interactions between simple organic functionalities. The chemical identity of the tip and substrate surfaces as well as the medium had a dramatic effect on adhesion between model monolayers. A direct correlation between surface free energy and adhesion forces was established. The adhesion between epoxy polymer and model mixed SAMs varied with the amount of hydrogen bonding component in the monolayers. A consistent interpretation of CFM measurements in polar solvents was provided by contact mechanics models and intermolecular force components theory. Forces between tips and surfaces functionalized with SAMs terminating in acid or base groups depended on their ionization state. A novel method of force titration was introduced for highly local characterization of the pK's of surface functional groups. The pH-dependent changes in friction forces were exploited to map spatially the
Structural modeling and intermolecular correlation of liquid chlorine dioxide
International Nuclear Information System (INIS)
Ogata, Norio; Hironori, Shimakura; Kawakita, Yukinobu; Ohara, Yukoji; Kohara, Shinji; Takeda, Shinichi
2009-01-01
Chlorine dioxide (ClO 2 ) is water-soluble yellow gas at room temperature. It has long been used as a disinfectant of tap water and various commodities owing to its strong oxidizing activity against various microbial proteins. The oxidizing activity is believed to be due to the presence of unpaired electron in its molecular orbital. Despite wealth of physicochemical studies of gaseous ClO 2 , little is known about liquid ClO 2 , especially about fine molecular structure and intermolecular interactions of liquid ClO 2 . The purpose of this study is to elucidate the fine structure and intermolecular orientations of ClO 2 molecules in its liquid state using a high-energy X-ray diffraction technique. The measurements of liquid ClO 2 were carried out at -50 to 0 degree Celsius using a two-axis diffractometer installed at the BL04B2 beamline in the third-generation synchrotron radiation facility SPring-8 (Hyogo, Japan). The incident X-ray beamline was 113.4 keV in energy and 0.1093 Armstrong in wavelength from a Si(111) monochromator with the third harmonic reflection. Liquid ClO 2 held in a quartz capillary tube was placed in a temperature-controlled vacuum chamber. We obtained a structure factor S(Q) to a range of Q = 0.3-30 Amstrong -1 and a pair distribution function g(r) upon Fourier transform of the S(Q). The total g(r) showed peaks at 1.46, 2.08, 2.48, 3.16 and 4.24 Armstrong. From intramolecular bond lengths of 1.46 Armstrong for Cl-O and 2.48 Armstrong for O-O, O-Cl-O bond angle was estimated to be 116.1 degrees. Peaks at 3.16 and 4.24 Armstrong in the total g(r) strongly indicate presence of specific intermolecular orientations of ClO 2 molecules that are distinct from those observed as a dimer in the solid phase ClO 2 . This view was further supported by molecular simulation using a reverse Monte Carlo method (RMC). (author)
International Nuclear Information System (INIS)
Altsybeev, Igor
2016-01-01
In the present work, Monte-Carlo toy model with repulsing quark-gluon strings in hadron-hadron collisions is described. String repulsion creates transverse boosts for the string decay products, giving modifications of observables. As an example, long-range correlations between mean transverse momenta of particles in two observation windows are studied in MC toy simulation of the heavy-ion collisions
Elastic Coulomb breakup of 34Na
Singh, G.; Shubhchintak, Chatterjee, R.
2016-08-01
Background: 34Na is conjectured to play an important role in the production of seed nuclei in the alternate r -process paths involving light neutron rich nuclei very near the β -stability line, and as such, it is important to know its ground state properties and structure to calculate rates of the reactions it might be involved in, in the stellar plasma. Found in the region of `island of inversion', its ground state might not be in agreement with normal shell model predictions. Purpose: The aim of this paper is to study the elastic Coulomb breakup of 34Na on 208Pb to give us a core of 33Na with a neutron and in the process we try and investigate the one neutron separation energy and the ground state configuration of 34Na. Method: A fully quantum mechanical Coulomb breakup theory within the architecture of post-form finite range distorted wave Born approximation extended to include the effects of deformation is used to research the elastic Coulomb breakup of 34Na on 208Pb at 100 MeV/u. The triple differential cross section calculated for the breakup is integrated over the desired components to find the total cross-section, momentum, and angular distributions as well as the average momenta, along with the energy-angular distributions. Results: The total one neutron removal cross section is calculated to test the possible ground state configurations of 34Na. The average momentum results along with energy-angular calculations indicate 34Na to have a halo structure. The parallel momentum distributions with narrow full widths at half-maxima signify the same. Conclusion: We have attempted to analyze the possible ground state configurations of 34Na and in congruity with the patterns in the `island of inversion' conclude that even without deformation, 34Na should be a neutron halo with a predominant contribution to its ground state most probably coming from 33Na(3 /2+)⊗ 2 p3 /2ν configuration. We also surmise that it would certainly be useful and rewarding to test our
Coulomb corrections in the low-energy scattering
International Nuclear Information System (INIS)
Mur, V.D.; Popov, V.S.
1985-01-01
Renormalization of the coefficients of the ''effective range expansion'' is considered for the short-range Coulomb problem. The exactly solvable model of the Coulomb plus short range potential is considered. Exact solutions are compared with approximations frequently used in the theory of hadronic atoms
Two-center Coulomb problem with Calogero interaction
Energy Technology Data Exchange (ETDEWEB)
Hakobyan, T., E-mail: tigran.hakobyan@ysu.am; Nersessian, A., E-mail: arnerses@ysu.am [Armenia Tomsk Polytechnic University, Yerevan State University (Russian Federation)
2017-03-15
We show that the Calogero-type perturbation preserves the integrability and partial separation of variables for the Stark–Coulomb and two-center Coulomb problems, and present the explicit expressions of their constants of motion. We reveal that this perturbation preserves the spectra of initial systems, but leads to the change of degree of degeneracy.
Known-to-Unknown Approach to Teach about Coulomb's Law
Thamburaj, P. K.
2007-01-01
Analogies from life experiences help students understand various relationships presented in an introductory chemistry course. Coulomb's law is a complex relationship encountered in introductory general chemistry. A proper understanding of the relationships between the quantities involved in Coulomb's law is necessary in order for students to…
Coulomb-gas scaling, superfluid films, and the XY model
International Nuclear Information System (INIS)
Minnhagen, P.; Nylen, M.
1985-01-01
Coulomb-gas-scaling ideas are invoked as a link between the superfluid density of two-dimensional 4 He films and the XY model; the Coulomb-gas-scaling function epsilon(X) is extracted from experiments and is compared with Monte Carlo simulations of the XY model. The agreement is found to be excellent
Antilocalization of Coulomb Blockade in a Ge-Si Nanowire
DEFF Research Database (Denmark)
Higginbotham, Andrew P.; Kuemmeth, Ferdinand; Larsen, Thorvald Wadum
2014-01-01
The distribution of Coulomb blockade peak heights as a function of magnetic field is investigated experimentally in a Ge-Si nanowire quantum dot. Strong spin-orbit coupling in this hole-gas system leads to antilocalization of Coulomb blockade peaks, consistent with theory. In particular, the peak...
Symmetry in the polarization expansion for intermolecular forces
International Nuclear Information System (INIS)
Chipman, D.M.; Hirschfelder, J.O.
1980-01-01
In the usual polarization expansion for intermolecular forces, exchange effects that determine the separations of energy levels within the manifold of interacting states are ignored. Previous low order calculations on simple physical systems have indicated that these exchange terms can be described reasonably well by an appropriate ad hoc symmetrization of the polarization wave function (the SYM-P method). But theoretical considerations suggest that the SYM-P method should be good for only one of the interacting states and not for the others in the manifold. Here this long standing apparent conflict between theoretical expectations and actual results is explained by consideration of a simple model system in which the relevant equations can be solved exactly. It is concluded that while the SYM-P method is potentially exact for only one of the interacting states, it may provide good approximations to the other states of the manifold in the case of large separations of the interacting subsystems
Generalized coherent states for the Coulomb problem in one dimension
International Nuclear Information System (INIS)
Nouri, S.
2002-01-01
A set of generalized coherent states for the one-dimensional Coulomb problem in coordinate representation is constructed. At first, we obtain a mapping for proper transformation of the one-dimensional Coulomb problem into a nonrotating four-dimensional isotropic harmonic oscillator in the hyperspherical space, and the generalized coherent states for the one-dimensional Coulomb problem is then obtained in exact closed form. This exactly soluble model can provide an adequate means for a quantum coherency description of the Coulomb problem in one dimension, sample for coherent aspects of the exciton model in one-dimension example in high-temperature superconductivity, semiconductors, and polymers. Also, it can be useful for investigating the coherent scattering of the Coulomb particles in one dimension
Eikonal representation of N-body Coulomb scattering amplitudes
International Nuclear Information System (INIS)
Fried, H.M.; Kang, K.; McKellar, B.H.J.
1983-01-01
A new technique for the construction of N-body Coulomb scattering amplitudes is proposed, suggested by the simplest case of N = 2: Calculate the scattering amplitude in eikonal approximation, discard the infinite phase factors which appear upon taking the limit of a Coulomb potential, and treat the remainder as an amplitude whose absolute value squared produces the exact, Coulomb differential cross section. The method easily generalizes to the N-body Coulomb problem for elastic scattering, and for inelastic rearrangement scattering of Coulomb bound states. We give explicit results for N = 3 and 4; in the N = 3 case we extract amplitudes for the processes (12)+3->1+2+3 (breakup), (12)+3->1+(23) (rearrangement), and (12)+3→(12)'+3 (inelastic scattering) as residues at the appropriate poles in the free-free amplitude. The method produces scattering amplitudes f/sub N/ given in terms of explicit quadratures over (N-2) 2 distinct integrands
The Coulomb potential in quantum mechanics and related topics
International Nuclear Information System (INIS)
Haeringen, H. van.
1978-01-01
This dissertation consists of an analytic study of the Coulomb interaction in nonrelativistic quantum mechanics and some related topics. The author investigates in a number of self-contained articles various interesting and important properties of the Coulomb potential. Some of these properties are shared by other potentials which also play a role in quantum mechanics. For such related interactions a comparative study is made. The principal difficulties in the description of proton-deuteron scattering and break-up reactions, due to the Coulomb interaction, are studied by working out a simple model. The bound states are studied for the Coulomb plus Yamaguchi potential, for the symmetric shifted Coulomb potential, and for local potentials with an inverse-distance-squared asymptotic behaviour. (Auth.)
Role amplification of the coulomb interaction in nuclear reactions
Energy Technology Data Exchange (ETDEWEB)
Kumar, Ashok; Soni, S K; Pancholi, S K; Gupta, S L [AN SSSR, Moscow. Radiotekhnicheskij Inst.
1976-10-01
The genarally adopted estimate of coulomb interaction in nuclear reactions based on the comparison of relative energies of real particles participating in the reaction with the coulomb barrier has been shown to provide wrong presentation of the role of coulomb interaction in the reaction mechanism. The relative energy of particles participating in virtual processes forming the reaction mechanism and its relation to the coulomb barrier turn out to be tens of per cent less than for the particles in an inlet channel. This is the main reason of increasing the role of coulomb interaction in the reaction mechanism. This increase is particularly significant for nuclei with large charges, in particular, in heavy ion reaction.
Interplay between superconductivity and Coulomb blockade
Energy Technology Data Exchange (ETDEWEB)
Lorenz, Thomas; Sprenger, Susanne; Scheer, Elke [Universitaet Konstanz (Germany)
2016-07-01
Studying the interplay between superconductivity and Coulomb blockade (CB) can be achieved by investigating an all superconducting single electron transistor (SSET) consisting of an island coupled to the leads by two tunneling contacts. The majority of experiments performed so far were using superconducting tunnel contacts made from oxide layers, in which multiple Andreev reflections (MAR) can be excluded. Using a mechanically controlled break junction (MCBJ) made of aluminum enables tuning the contributions of MAR in one junction continuously and thereby addressing different transport regimes within the same sample. Our results offer the possibility to attribute particular features in the transport characteristics to the transmission probabilities of individual modes in the MCBJ contact. We discuss our findings in terms of dynamical CB, SSET behaviour and MAR when continuously opening the MCBJ from the fully closed state to a tunneling contact.
Tests of a Coulomb-nuclear polarimeter
International Nuclear Information System (INIS)
Pauletta, G.; University of Texas, Austin, TX, 78712)
1989-01-01
We report on the development and testing of a polarimeter for the high energy polarized proton and antiproton beam at Fermi National Accelerator Laboratory (FNAL). The polarimeter was designed to make use of a small but well-known analyzing power in the region of Coulomb-nuclear interference (CNI) in order to obtain an absolute measurement of the polarization. Feasibility was established in the course of a brief running period at the end of the last fixed-target period at FNAL and potential for considerable improvement was revealed. Beam-time was insufficient to measure polarization accurately but the data obtained bears out design expectations for the beam-line and confirms polarization-tagging techniques to within uncertainties
Coulomb excitation of {sup 123}Cd
Energy Technology Data Exchange (ETDEWEB)
Hartig, Anna-Lena; Kroell, Thorsten; Ilieva, Stoyanka; Boenig, Sabine; Thuerauf, Michael [IKP, TU Darmstadt (Germany); Simpson, Gary; Drouet, Floriane; Ramdhane, Mourad [LPSC, Grenoble (France); Georgiev, Georgi [CSNSM, Orsay (France); Kesteloot, Nele; Wrzosek-Lipska, Kasia [KU, Leuven (Belgium); Jungclaus, Andrea; Illana Sison, Andres [CSIC, Madrid (Spain); Balabanski, Dimiter [INRNE-BAS, Sofia (Bulgaria); Warr, Nigel [Koeln Univ. (Germany). IKP; Voulot, Didier; Wenander, Fredrik; Marsh, Bruce [CERN, Geneva (Switzerland)
2013-07-01
On the neutron-rich side of the valley of stability in the vicinity of the double magic nucleus {sup 132}Sn one can find the {sup 123}Cd isotope. Surprisingly the neutron-rich even-A Cd isotopes in this region are showing signs of collectivity beyond that calculated by modern shell-model predictions. In order to gain a deeper insight in this phenomenon we started to extend these studies to odd-A Cd isotopes. As first isotope the exotic nucleus {sup 123}Cd was produced for safe Coulomb excitation by the ISOLDE facility at CERN and post-accelerated by REX-ISOLDE. The γ-decay from excited states was detected with the MINIBALL array. A report on the status of the ongoing analysis is given.
The ghost propagator in Coulomb gauge
International Nuclear Information System (INIS)
Watson, P.; Reinhardt, H.
2011-01-01
We present results for a numerical study of the ghost propagator in Coulomb gauge whereby lattice results for the spatial gluon propagator are used as input to solving the ghost Dyson-Schwinger equation. We show that in order to solve completely, the ghost equation must be supplemented by a boundary condition (the value of the inverse ghost propagator dressing function at zero momentum) which determines if the solution is critical (zero value for the boundary condition) or subcritical (finite value). The various solutions exhibit a characteristic behavior where all curves follow the same (critical) solution when going from high to low momenta until 'forced' to freeze out in the infrared to the value of the boundary condition. The boundary condition can be interpreted in terms of the Gribov gauge-fixing ambiguity; we also demonstrate that this is not connected to the renormalization. Further, the connection to the temporal gluon propagator and the infrared slavery picture of confinement is discussed.
6d, Coulomb branch anomaly matching
Intriligator, Kenneth
2014-10-01
6d QFTs are constrained by the analog of 't Hooft anomaly matching: all anomalies for global symmetries and metric backgrounds are constants of RG flows, and for all vacua in moduli spaces. We discuss an anomaly matching mechanism for 6d theories on their Coulomb branch. It is a global symmetry analog of Green-Schwarz-West-Sagnotti anomaly cancellation, and requires the apparent anomaly mismatch to be a perfect square, . Then Δ I 8 is cancelled by making X 4 an electric/magnetic source for the tensor multiplet, so background gauge field instantons yield charged strings. This requires the coefficients in X 4 to be integrally quantized. We illustrate this for theories. We also consider the SCFTs from N small E8 instantons, verifying that the recent result for its anomaly polynomial fits with the anomaly matching mechanism.
Effective temperature in relaxation of Coulomb glasses.
Somoza, A M; Ortuño, M; Caravaca, M; Pollak, M
2008-08-01
We study relaxation in two-dimensional Coulomb glasses up to macroscopic times. We use a kinetic Monte Carlo algorithm especially designed to escape efficiently from deep valleys around metastable states. We find that, during the relaxation process, the site occupancy follows a Fermi-Dirac distribution with an effective temperature much higher than the real temperature T. Long electron-hole excitations are characterized by T(eff), while short ones are thermalized at T. We argue that the density of states at the Fermi level is proportional to T(eff) and is a good thermometer to measure it. T(eff) decreases extremely slowly, roughly as the inverse of the logarithm of time, and it should affect hopping conductance in many experimental circumstances.
Effective Coulomb interaction in multiorbital system
International Nuclear Information System (INIS)
Hase, Izumi; Yanagisawa, Takashi
2013-01-01
Transition metal atom generally takes various valences, and sometimes there are some 'missing valences', for example Fe usually takes 2+, 3+ and 5+, but does not take other valences so often. We have calculated the atomic multiplet energies for the high-spin and lowspin configurations within the ligand-field theory and the Hartree-Fock approximation, and found that the Coulomb interaction energy (U eff ) becomes small when the valence is 'missing'. In case U eff B /Fe only when U eff increased in most cases, but in some special cases U eff decreases and falls below the value U − 3J, which is the least value of the undistorted system.
Coulomb excitation of {sup 107}Sn
Energy Technology Data Exchange (ETDEWEB)
DiJulio, D.D.; Cederkall, J.; Fahlander, C. [Lund University, Physics Department, 118, Lund (Sweden); Ekstroem, A. [University of Oslo, Department of Physics and Center of Mathematics for Applications, Oslo (Norway); Hjorth-Jensen, M. [University of Oslo, Department of Physics and Center of Mathematics for Applications, Oslo (Norway); Michigan State University, National Superconducting Cyclotron Laboratory and Department of Physics and Astronomy, East Lansing, MI (United States); Albers, M.; Blazhev, A.; Fransen, C.; Geibel, K.; Hess, H.; Reiter, P.; Seidlitz, M.; Taprogge, J.; Warr, N. [University of Cologne, Institute of Nuclear Physics, Cologne (Germany); Bildstein, V.; Gernhaeuser, R.; Wimmer, K. [Technische Universitaet Muenchen, Physik Department E12, Garching (Germany); Darby, I.; Witte, H. de [Instituut voor Kern- en Stralingsfysica, Leuven (Belgium); Davinson, T. [University of Edinburgh, Department of Physics and Astronomy, Edinburgh (United Kingdom); Diriken, J. [Instituut voor Kern- en Stralingsfysica, Leuven (Belgium); Studiecentrum voor Kernenergie/Centre d' Etude de l' energie Nucleaire (SCK CEN), Mol (Belgium); Goergen, A.; Siem, S.; Tveten, G.M. [University of Oslo, Department of Physics, Oslo (Norway); Iwanicki, J. [University of Warsaw, Heavy Ion Laboratory, Warsaw (Poland); Lutter, R. [Ludwig-Maximilians-Universitaet Muenchen, Fakultaet fuer Physik, Garching (Germany); Scheck, M. [University of Liverpool, Oliver Lodge Laboratory, Liverpool (United Kingdom); Walle, J.V. de [PH Department, Geneva 23 (Switzerland); Voulot, D.; Wenander, F. [AB Department, Geneva 23 (Switzerland)
2012-07-15
The radioactive isotope {sup 107}Sn was studied using Coulomb excitation at the REX-ISOLDE facility at CERN. This is the lightest odd-Sn nucleus examined using this technique. The reduced transition probability of the lowest-lying 3/2{sup +} state was measured and is compared to shell-model predictions based on several sets of single-neutron energies relative to {sup 100}Sn. Similar to the transition probabilities for the 2{sup +} states in the neutron-deficient even-even Sn nuclei, the measured value is underestimated by shell-model calculations. Part of the strength may be recovered by considering the ordering of the d{sub 5/2} and g{sub 7/2} single-neutron states. (orig.)
Modulation of intermolecular interactions in single-molecule magnets
Heroux, Katie Jeanne
Polynuclear manganese clusters exhibiting interesting magnetic and quantum properties have been an area of intense research since the discovery of the first single-molecule magnet (SMM) in 1993. These molecules, below their blocking temperature, function as single-domain magnetic particles which exhibit classical macroscale magnetic properties as well as quantum mechanical phenomena such as quantum tunnelling of magnetization (QTM) and quantum phase interference. The union of classical and quantum behavior in these nanomaterials makes SMMs ideal candidates for high-density information storage and quantum computing. However, environmental coupling factors (nuclear spins, phonons, neighboring molecules) must be minimized if such applications are ever to be fully realized. The focus of this work is making small structural changes in well-known manganese SMMs in order to drastically enhance the overall magnetic and quantum properties of the system. Well-isolated molecules of high crystalline quality should lead to well-defined energetic and spectral properties as well. An advantage of SMMs over bulk magnetic materials is that they can be chemically altered from a "bottom-up" approach providing a synthetic tool for tuning magnetic properties. This systematic approach is utilized in the work presented herein by incorporating bulky ligands and/or counterions to "isolate" the magnetic core of [Mn4] dicubane SMMs. Reducing intermolecular interactions in the crystal lattice (neighboring molecules, solvate molecules, dipolar interactions) is an important step toward developing viable quantum computing devices. Detailed bulk magnetic studies as well as single crystal magnetization hysteresis and high-frequency EPR studies on these sterically-isolated complexes show enhanced, and sometimes even unexpected, quantum dynamics. The importance of intra- and intermolecular interactions remains a common theme throughout this work, extending to other SMMs of various topology including
Systematic study on intermolecular valence-band dispersion in molecular crystalline films
International Nuclear Information System (INIS)
Yamane, Hiroyuki; Kosugi, Nobuhiro
2015-01-01
Highlights: • Intermolecular valence-band dispersion of crystalline films of phthalocyanines. • Intermolecular transfer integral versus lattice constant. • Site-specific intermolecular interaction and resultant valence-band dispersion. • Band narrowing effect induced by elevated temperature. - Abstract: Functionalities of organic semiconductors are governed not only by individual properties of constituent molecules but also by solid-state electronic states near the Fermi level such as frontier molecular orbitals, depending on weak intermolecular interactions in various conformations. The individual molecular property has been widely investigated in detail; on the other hand, the weak intermolecular interaction is difficult to investigate precisely due to the presence of the structural and thermal energy broadenings in organic solids. Here we show quite small but essential intermolecular valence band dispersions and their temperature dependence of sub-0.1-eV scale in crystalline films of metal phthalocyanines (H_2Pc, ZnPc, CoPc, MnPc, and F_1_6ZnPc) by using angle-resolved photoemission spectroscopy (ARPES) with synchrotron radiation. The observed bands show intermolecular and site dependent dispersion widths, phases, and periodicities, for different chemical substitution of terminal groups and central metals in the phthalocyanine molecule. The precise and systematic band-dispersion measurement would be a credible approach toward the comprehensive understanding of intermolecular interactions and resultant charge transport properties as well as their tuning by substituents in organic molecular systems.
International Nuclear Information System (INIS)
Hiratsuka, Y.; Oryu, S.; Gojuki, S.
2011-01-01
Reliability of the screened Coulomb renormalization method, which was proposed in an elegant way by Alt-Sandhas-Zankel-Ziegelmann (ASZZ), is discussed on the basis of 'two-potential theory' for the three-body AGS equations with the Coulomb potential. In order to obtain ASZZ's formula, we define the on-shell Moller function, and calculate it by using the Haeringen criterion, i. e. 'the half-shell Coulomb amplitude is zero'. By these two steps, we can finally obtain the ASZZ formula for a small Coulomb phase shift. Furthermore, the reliability of the Haeringen criterion is thoroughly checked by a numerically rigorous calculation for the Coulomb LS-type equation. We find that the Haeringen criterion can be satisfied only in the higher energy region. We conclude that the ASZZ method can be verified in the case that the on-shell approximation to the Moller function is reasonable, and the Haeringen criterion is reliable. (author)
Chan, Ho Yin; Lankevich, Vladimir; Vekilov, Peter G.; Lubchenko, Vassiliy
2012-01-01
Toward quantitative description of protein aggregation, we develop a computationally efficient method to evaluate the potential of mean force between two folded protein molecules that allows for complete sampling of their mutual orientation. Our model is valid at moderate ionic strengths and accounts for the actual charge distribution on the surface of the molecules, the dielectric discontinuity at the protein-solvent interface, and the possibility of protonation or deprotonation of surface residues induced by the electric field due to the other protein molecule. We apply the model to the protein lysozyme, whose solutions exhibit both mesoscopic clusters of protein-rich liquid and liquid-liquid separation; the former requires that protein form complexes with typical lifetimes of approximately milliseconds. We find the electrostatic repulsion is typically lower than the prediction of the Derjaguin-Landau-Verwey-Overbeek theory. The Coulomb interaction in the lowest-energy docking configuration is nonrepulsive, despite the high positive charge on the molecules. Typical docking configurations barely involve protonation or deprotonation of surface residues. The obtained potential of mean force between folded lysozyme molecules is consistent with the location of the liquid-liquid coexistence, but produces dimers that are too short-lived for clusters to exist, suggesting lysozyme undergoes conformational changes during cluster formation. PMID:22768950
Effect of coulomb interaction on Anderson localization
International Nuclear Information System (INIS)
Waintal, X.
1999-01-01
We study the quantum mechanics of interacting particles in a disordered system, and in particular, what happens to Anderson localisation when interaction is taken into account. In the first part, one looks at the excited states of two particles in one dimension. For this model, it has been shown (Shepelyansky 1994) that a local repulsive interaction can partially destroy Anderson localisation. Here, we show that this model has similarities with the three-dimensional Anderson model at the metal-insulator transition. In particular, the maximum of rigidity obtained in the spectral statistics correspond to some intermediary statistics that cannot be described by random matrix theory neither by a Poisson statistics. The wave functions show a multifractal behaviour and the spreading of the center of mass of a wave packet is logarithmic in time. The second part deals with the ground state of a finite density of spinless fermions in two dimensions. After the scaling theory of localisation, it was commonly accepted that there was no metal in two dimensions. This idea has been challenged by the observation of a metal-insulator transition in low density electron gas (Kravchenko et al. 1994). We propose a scenario in which a metallic phase occurs between the Anderson insulator and the pinned Wigner crystal. This intermediate phase is characterized by an alignment of the local currents flowing in the system. (author)
Van Hooydonk, G
2000-11-01
Following recent work in search for a universal function (Van Hooydonk, Eur. J. Inorg. Chem., (1999), 1617), we test four symmetric +/- a(n)Rn potentials for reproducing molecular potential energy curves (PECs). Classical gauge symmetry for 1/R-potentials results in generic left right asymmetric PECs. A pair of symmetric perturbed Coulomb potentials is quantitatively in accordance with observed PECs. For a bond, a four-particle system, charge inversion (a parity effect, atom chirality) is the key to explain this shape generically. A parity adapted Hamiltonian reduces from ten to two terms and to a soluble Bohr-like formula, a Kratzer (1 - Re/R)2 potential. The result is similar to the combined action of spin and wave function symmetry upon the Hamiltonian in Heitler-London theory. Analytical perturbed Coulomb functions varying with (1 - Re/R) scale attractive and repulsive branches of PECs for 13 bonds H2, HF, LiH, KH, AuH, Li2, LiF, KLi, NaCs, Rb2, RbCs, Cs2 and I2 in a single straight line. The 400 turning points for 13 bonds are reproduced with a deviation of 0.007 A at both branches. For 230 points at the repulsive side, the deviation is 0.003 A. The perturbed electrostatic Coulomb law is a universal molecular function. Ab initio zero molecular parameter functions give PECs of acceptable quality, just using atomic ionisation energies. The function can be used as a model potential for inverting levels and gives a first principle's comparison of short- and long-range interactions, important for the study of cold atoms. Wave-packet dynamics, femto-chemistry applied to the crossing of covalent and ionic curves, can provide evidence for this theory. We anticipate this scale/shape invariant scheme applies to smaller scales in nuclear and high-energy particle physics. For larger gravitational scales (Newton 1/R potentials), problems with super-unification are discussed. Reactions between hydrogen and antihydrogen, feasible in the near future, will probably produce
Scattering and stopping of swift diatomic molecules under Coulomb explosion
International Nuclear Information System (INIS)
Sigmund, P.
1992-01-01
The scattering and stopping of the fragments of a fast diatomic molecule under Coulomb explosion has been analysed theoretically. The central assumption in the scheme is the dominance of Coulomb explosion, while electronic stopping (including wake forces) and elastic scattering are treated as perturbations. Charge exchange has been neglected. Coulomb images of penetration phenomena are heavily distorted. For small penetrated layer thicknesses, images appear contracted in the direction of the molecular axis, and expanded perpendicular to it. This distortion is described quantitatively by a linear transformation. General expressions have been derived for the effect of continuous and stochastic forces on the distribution of fragment velocities from Coulomb explosion (the ''ring pattern''). Moreover, relations have been found that allow to scale velocity distributions valid in the absence of Coulomb explosion into distributions allowing for Coulomb explosion. Applications concern the shift in ring pattern due to electronic stopping, the lateral broadening due to multiple scattering, and the effect of zero-point motion on the Coulomb image of a molecule. (orig.)
Some studies in scatering by Coulomb modified nuclear potentials
International Nuclear Information System (INIS)
Laha, U.
1988-01-01
Recently, there has been a surge of interest in theoretical questions concerning the Coulomb nuclear problems with the main emphasis on their off-shell behaviour. Earlier approaches to the problem made use of a version of the two-potential formula as used by Bajzer. A slightly different point of view is presented here. An expression for the interacting Green's function for motion in the Coulomb plus Graz potential is constructed and used to obtain the half-off-shell T matrix in the ''maximal reduced form''. Similar results were also derived for the off-shell Jost functions. It is explicitly demonstrated that Coulomb and Coulomb-like potentials the half-off-shell T matrix can be expressed in terms of on-and off-shell Jost functions in the same way as one does for a purely short range interaction. In presenting the results for T matrix and other related quantities, the Coulomb effect is included rigorously. Results clearly delineate the branch point singularities originating from the long range nature of the Coulomb interaction and thus provide a better understanding of the off-shell two-body Coulomb-like T matrices. It is hoped that these results will form an adequate starting point for rigorous calculations on few-body systems with charges. (author). 16 refs
Scattering and stopping of swift diatomic molecules under Coulomb explosion
International Nuclear Information System (INIS)
Sigmund, P.
1991-01-01
The scattering and stopping of the fragments of a fast diatomic molecule under Coulomb explosion has been analyzed theoretically. The central assumption in the scheme is the dominance of Coulomb explosion, while electronic stopping (including wake forces) and elastic scattering are treated as perturbations. Charge exchange has been neglected. Coulomb images of penetration phenomena are heavily distorted. For small penetrated layer thicknesses, images appear contracted in the direction of the molecular axis, and expanded perpendicular to it. This distortion is described quantitatively by a linear transformation. General expressions have been derived for the effect of continuous and stochastic forces on the distribution of fragment velocities from Coulomb explosion (the ''ring pattern''). Moreover, relations have been found that allow to scale velocity distributions valid in the absence of Coulomb explosion into distributions allowing for Coulomb explosion. Applications concern the shift in ring pattern due to electronic stopping, the lateral broadening due to multiple scattering and the effect of zero-point motion on the Coulomb image of a molecule. 14 refs., 5 figs
Dimensional regularization and renormalization of Coulomb gauge quantum electrodynamics
International Nuclear Information System (INIS)
Heckathorn, D.
1979-01-01
Quantum electrodynamics is renormalized in the Coulomb gauge with covariant counter terms and without momentum-dependent wave-function renormalization constants. It is shown how to dimensionally regularize non-covariant integrals occurring in this guage, and prove that the 'minimal' subtraction prescription excludes non-covariant counter terms. Motivated by the need for a renormalized Coulomb gauge formalism in certain practical calculations, the author introduces a convenient prescription with physical parameters. The renormalization group equations for the Coulomb gauge are derived. (Auth.)
On the Emergence of the Coulomb Forces in Quantum Electrodynamics
Directory of Open Access Journals (Sweden)
Jan Naudts
2017-01-01
Full Text Available A simple transformation of field variables eliminates Coulomb forces from the theory of quantum electrodynamics. This suggests that Coulomb forces may be an emergent phenomenon rather than being fundamental. This possibility is investigated in the context of reducible quantum electrodynamics. It is shown that states exist which bind free photon and free electron fields. The binding energy peaks in the long-wavelength limit. This makes it plausible that Coulomb forces result from the interaction of the electron/positron field with long-wavelength transversely polarized photons.
On Coulomb disintegration of relativistic nuclei and hypernuclei
International Nuclear Information System (INIS)
Lyuboshits, V.L.
1989-01-01
The dependence of the total cross-section of excitation and disintegration of a relativistic nucleus in the Coulomb field on the energy and parameters characterizing nuclear dimensions is investigated. The analogy with the problem of atomic ionization at the passage of charged particles through matter is used. The results are applied to the description of the Coulomb dissociation of nuclei with small binding energies. An explicit expression for the effective cross-section of the Coulomb disintegration of the hypernucleus-Λ 3 H into a deuteron and Λ-particle. 12 refs
Coulomb corrections for interferometry analysis of expanding hadron systems
Energy Technology Data Exchange (ETDEWEB)
Sinyukov, Yu.M.; Lednicky, R.; Pluta, J.; Erazmus, B. [Centre National de la Recherche Scientifique, 44 - Nantes (France). Lab. de Physique Subatomique et des Technologies Associees; Akkelin, S.V. [ITP, Kiev (Ukraine)
1997-09-01
The problem of the Coulomb corrections to the two-boson correlation functions for the systems formed in ultra-relativistic heavy ion collisions is considered for large effective system volumes. The modification of the standard zero-distance correction (so called Gamow or Coulomb factor) has been proposed for such a kind of systems. For the {pi}{sup +}{pi}{sup +} and K{sup +}K{sup +} correlation functions the analytical calculations of the Coulomb correction are compared with the exact numerical results. (author). 20 refs.
Coulomb displacement energies in nuclei: a new approach
International Nuclear Information System (INIS)
Auerbach, N.; Tel Aviv Univ.; Bernard, V.; Nguyen, V.G.
1978-04-01
The neutron core polarization gives rise to an important correction to the direct Coulomb contribution when one calculates the Coulomb displacement energies. In the Hartree-Fock model it is shown that this correction is about 2% to 4.5% in medium and heavy nuclei. The core polarization as well as other higher order effects can be included by using a selfconsistent description of the analog state in a complete proton particle-neutron hole space. The Coulomb displacement energies in 48 Ca, 88 Sr and 208 Pb have been calculated using Skyrme interactions SIII and SIV. A good agreement with experiment is obtained
Gebremedhin, Daniel H; Weatherford, Charles A
2015-02-01
This is a response to the comment we received on our recent paper "Calculations for the one-dimensional soft Coulomb problem and the hard Coulomb limit." In that paper, we introduced a computational algorithm that is appropriate for solving stiff initial value problems, and which we applied to the one-dimensional time-independent Schrödinger equation with a soft Coulomb potential. We solved for the eigenpairs using a shooting method and hence turned it into an initial value problem. In particular, we examined the behavior of the eigenpairs as the softening parameter approached zero (hard Coulomb limit). The commenters question the existence of the ground state of the hard Coulomb potential, which we inferred by extrapolation of the softening parameter to zero. A key distinction between the commenters' approach and ours is that they consider only the half-line while we considered the entire x axis. Based on mathematical considerations, the commenters consider only a vanishing solution function at the origin, and they question our conclusion that the ground state of the hard Coulomb potential exists. The ground state we inferred resembles a δ(x), and hence it cannot even be addressed based on their argument. For the excited states, there is agreement with the fact that the particle is always excluded from the origin. Our discussion with regard to the symmetry of the excited states is an extrapolation of the soft Coulomb case and is further explained herein.
Coulomb displacement energies and neutron density distributions
International Nuclear Information System (INIS)
Shlomo, S.
1979-01-01
We present a short review of the present status of the theory of Coulomb displacement energies, ΔEsub(c), discussing the Okamoto-Nolem-Schiffer anomaly and its solution. We emphasize, in particular, that contrary to previous hopes, ΔEsub(c) does not determine rsub(ex), the root-mean square (rms) radius of the excess (valence) neutron density distribution. Instead, ΔEsub(c) is very sensitive to the value of Δr = rsub(n) - rsub(p), the difference between the rms radii of the density distributions of all neutrons and all protons. For neutron rich nuclei, such as 48 Ca and 208 Pb, a value of Δr = 0.1 fm is found to be consistent with ΔEsub(c). This value of Δr, which is considerably smaller than that (of 0.2 - 0.3 fm) predicted by some common Hartree-Fock calculations, seems to be confirmed by very recent experimental results. (orig.)
Correlation functions of Coulomb branch operators
Energy Technology Data Exchange (ETDEWEB)
Gerchkovitz, Efrat [Weizmann Institute of Science,Rehovot 76100 (Israel); Gomis, Jaume [Perimeter Institute for Theoretical Physics,Waterloo, ON N2L 2Y5 (Canada); Ishtiaque, Nafiz [Perimeter Institute for Theoretical Physics,Waterloo, ON N2L 2Y5 (Canada); Department of Physics, University of Waterloo,Waterloo, ON N2L 3G1 (Canada); Karasik, Avner; Komargodski, Zohar [Weizmann Institute of Science,Rehovot 76100 (Israel); Pufu, Silviu S. [Joseph Henry Laboratories, Princeton University,Princeton, NJ 08544 (United States)
2017-01-24
We consider the correlation functions of Coulomb branch operators in four-dimensional N=2 Superconformal Field Theories (SCFTs) involving exactly one anti-chiral operator. These extremal correlators are the “minimal' non-holomorphic local observables in the theory. We show that they can be expressed in terms of certain determinants of derivatives of the four-sphere partition function of an appropriate deformation of the SCFT. This relation between the extremal correlators and the deformed four-sphere partition function is non-trivial due to the presence of conformal anomalies, which lead to operator mixing on the sphere. Evaluating the deformed four-sphere partition function using supersymmetric localization, we compute the extremal correlators explicitly in many interesting examples. Additionally, the representation of the extremal correlators mentioned above leads to a system of integrable differential equations. We compare our exact results with previous perturbative computations and with the four-dimensional tt{sup ∗} equations. We also use our results to study some of the asymptotic properties of the perturbative series expansions we obtain in N=2 SQCD.
Dielectric susceptibility of classical Coulomb systems. II
International Nuclear Information System (INIS)
Choquard, Ph.; Piller, B.; Rentsch, R.
1987-01-01
This paper deals with the shape dependence of the dielectric susceptibility (equivalently defined, in a canonical ensemble, by the mean square fluctuation of the electric polarization or by the second moment of the charge-charge correlation function) of classical Coulomb systems. The concept of partial second moment is introduced with the aim of analyzing the contributions to the total susceptibility of pairs of particles of increasing separation. For a disk-shaped one-component plasma with coupling parameter γ=2 it is shown, numerically and algebraically for small and large systems, that (1) the correlation function of two particles close to the edge of the disk decays as the inverse of the square of their distance, and (2) the susceptibility is made up of a bulk contribution, which saturates rapidly toward the Stillinger-Lovett value, and of surface contribution, which varies on the scale of the disk diameter and is described by a new law called the arc sine law. It is also shown that electrostatics and statistical mechanics with shape-dependent thermodynamic limits are consistent for the same model in a strip geometry, whereas the Stillinger-Lovett sum rule is verified for a boundary-free geometry such as the surface of a sphere. Some results of extensive computer simulations of one- and two-component plasmas in circular and elliptic geometries are shown. Anisotropy effects on the susceptibilities are clearly demonstrated and the arc sine law for a circular plasma is well confirmed
Shakeoff Ionization near the Coulomb Barrier Energy
Sharma, Prashant; Nandi, T.
2017-11-01
We measure the projectile K x-ray spectra as a function of the beam energies around the Coulomb barrier in different collision systems. The energy is scanned in small steps around the barrier aiming to explore the nuclear effects on the elastically scattered projectile ions. The variation of the projectile x-ray energy with the ion-beam energies exhibits an unusual increase in between the interaction barrier and fusion barrier energies. This additional contribution to the projectile ionization can be attributed to the shakeoff of outer-shell electrons of the projectile ions due to the sudden nuclear recoil (˜10-21 sec ) caused by the attractive nuclear potential, which gets switched on near the interaction barrier energy. In the sudden approximation limit, the theoretical shakeoff probability calculation due to the nuclear recoil explains the observed data well. In addition to its fundamental interest, such processes can play a significant role in dark matter detection through the possible mechanism of x-ray emissions, where the weakly interacting massive particle-nucleus elastic scattering can lead to the nuclear-recoil-induced inner-shell vacancy creations. Furthermore, the present work may provide new prospects for atomic physics research at barrier energies as well as provide a novel technique to perform barrier distribution studies for two-body systems.
Optical Trapping of Ion Coulomb Crystals
Schmidt, Julian; Lambrecht, Alexander; Weckesser, Pascal; Debatin, Markus; Karpa, Leon; Schaetz, Tobias
2018-04-01
The electronic and motional degrees of freedom of trapped ions can be controlled and coherently coupled on the level of individual quanta. Assembling complex quantum systems ion by ion while keeping this unique level of control remains a challenging task. For many applications, linear chains of ions in conventional traps are ideally suited to address this problem. However, driven motion due to the magnetic or radio-frequency electric trapping fields sometimes limits the performance in one dimension and severely affects the extension to higher-dimensional systems. Here, we report on the trapping of multiple barium ions in a single-beam optical dipole trap without radio-frequency or additional magnetic fields. We study the persistence of order in ensembles of up to six ions within the optical trap, measure their temperature, and conclude that the ions form a linear chain, commonly called a one-dimensional Coulomb crystal. As a proof-of-concept demonstration, we access the collective motion and perform spectrometry of the normal modes in the optical trap. Our system provides a platform that is free of driven motion and combines advantages of optical trapping, such as state-dependent confinement and nanoscale potentials, with the desirable properties of crystals of trapped ions, such as long-range interactions featuring collective motion. Starting with small numbers of ions, it has been proposed that these properties would allow the experimental study of many-body physics and the onset of structural quantum phase transitions between one- and two-dimensional crystals.
Deep inelastic scattering near the Coulomb barrier
International Nuclear Information System (INIS)
Gehring, J.; Back, B.; Chan, K.
1995-01-01
Deep inelastic scattering was recently observed in heavy ion reactions at incident energies near and below the Coulomb barrier. Traditional models of this process are based on frictional forces and are designed to predict the features of deep inelastic processes at energies above the barrier. They cannot be applied at energies below the barrier where the nuclear overlap is small and friction is negligible. The presence of deep inelastic scattering at these energies requires a different explanation. The first observation of deep inelastic scattering near the barrier was in the systems 124,112 Sn + 58,64 Ni by Wolfs et al. We previously extended these measurements to the system 136 Xe + 64 Ni and currently measured the system 124 Xe + 58 Ni. We obtained better statistics, better mass and energy resolution, and more complete angular coverage in the Xe + Ni measurements. The cross sections and angular distributions are similar in all of the Sn + Ni and Xe + Ni systems. The data are currently being analyzed and compared with new theoretical calculations. They will be part of the thesis of J. Gehring
Coulomb scattering in field and photofield emission
International Nuclear Information System (INIS)
Donders, P.J.; Lee, M.J.G.
1987-01-01
An anomalous high-energy tail has been observed in the measured total energy distribution (TED) in photofield emission from tungsten. The strength of this tail is proportional to the product of the photofield emission current and the total emission current. Similar high- and low-energy tails in the TED's in field emission, which have previously been reported by several workers, are also observed. In any given measurement, the fraction of the total photofield-emission current in the anomalous photofield-emission tail is approximately equal to the fraction of the total field-emission current in the anomalous field-emission tail. Measurements of both the absolute strengths and energy dependences of the anomalous tails are reported. The experimental observations are consistent with the predictions of a classical calculation of the energy transfer that results from the Coulomb interaction between electrons in the vacuum near the field emitter. The various internal mechanisms that have previously been invoked to account for the tails in field-emission TED's do not appear to contribute significantly to the anomalous distributions observed in the present work
Deep inelastic scattering near the Coulomb barrier
Energy Technology Data Exchange (ETDEWEB)
Gehring, J.; Back, B.; Chan, K. [and others
1995-08-01
Deep inelastic scattering was recently observed in heavy ion reactions at incident energies near and below the Coulomb barrier. Traditional models of this process are based on frictional forces and are designed to predict the features of deep inelastic processes at energies above the barrier. They cannot be applied at energies below the barrier where the nuclear overlap is small and friction is negligible. The presence of deep inelastic scattering at these energies requires a different explanation. The first observation of deep inelastic scattering near the barrier was in the systems {sup 124,112}Sn + {sup 58,64}Ni by Wolfs et al. We previously extended these measurements to the system {sup 136}Xe + {sup 64}Ni and currently measured the system {sup 124}Xe + {sup 58}Ni. We obtained better statistics, better mass and energy resolution, and more complete angular coverage in the Xe + Ni measurements. The cross sections and angular distributions are similar in all of the Sn + Ni and Xe + Ni systems. The data are currently being analyzed and compared with new theoretical calculations. They will be part of the thesis of J. Gehring.
Coulomb-interacting billiards in circular cavities
International Nuclear Information System (INIS)
Solanpää, J; Räsänen, E; Nokelainen, J; Luukko, P J J
2013-01-01
We apply a molecular dynamics scheme to analyze classically chaotic properties of a two-dimensional circular billiard system containing two Coulomb-interacting electrons. As such, the system resembles a prototype model for a semiconductor quantum dot. The interaction strength is varied from the noninteracting limit with zero potential energy up to the strongly interacting regime where the relative kinetic energy approaches zero. At weak interactions the bouncing maps show jumps between quasi-regular orbits. In the strong-interaction limit we find an analytic expression for the bouncing map. Its validity in the general case is assessed by comparison with our numerical data. To obtain a more quantitative view on the dynamics as the interaction strength is varied, we compute and analyze the escape rates of the system. Apart from very weak or strong interactions, the escape rates show consistently exponential behavior, thus suggesting strongly chaotic dynamics and a phase space without significant sticky regions within the considered time scales. (paper)
Müller, Thomas; Trommer, Isabel; Muhlack, Siegfried; Mueller, Bernhard K
2016-04-01
Exposure to free radicals influences synthesis, degradation and function of proteins, such as repulsive guidance molecule A. Decay of this protein is essential for neuronal maintenance and recovery. Levodopa elevates oxidative stress. Therefore levodopa may impact repulsive guidance molecule A metabolism. Objectives were to investigate plasma concentrations of repulsive guidance molecule A, levodopa, cysteine and cysteinyl-glycine before and 1 h after levodopa application in patients with Parkinson's disease. Cysteine and cysteinyl-glycine as biomarkers for oxidative stress exposure decreased, repulsive guidance molecule A and levodopa rose. Repulsive guidance molecule A remained unchanged in levodopa naïve patients, but particularly went up in patients on a prior chronic levodopa regimen. Decay of cysteine specifically cysteinyl-glycine results from an elevated glutathione generation with rising cysteine consumption respectively from the alternative glutathione transformation to its oxidized form glutathione disulfide after free radical scavenging. Repulsive guidance molecule A rise may inhibit physiologic mechanisms for neuronal survival.
Polyelectrolyte brushes in mixed ionic medium studied via intermolecular forces
Farina, Robert; Laugel, Nicolas; Pincus, Philip; Tirrell, Matthew
2011-03-01
The vast uses and applications of polyelectrolyte brushes make them an attractive field of research especially with the growing interest in responsive materials. Polymers which respond via changes in temperature, pH, and ionic strength are increasingly being used for applications in drug delivery, chemical gating, etc. When polyelectrolyte brushes are found in either nature (e.g., surfaces of cartilage and mammalian lung interiors) or commercially (e.g., skin care products, shampoo, and surfaces of medical devices) they are always surrounded by mixed ionic medium. This makes the study of these brushes in varying ionic environments extremely relevant for both current and future potential applications. The polyelectrolyte brushes in this work are diblock co-polymers of poly-styrene sulfonate (N=420) and poly-t-butyl styrene (N=20) which tethers to a hydrophobic surface allowing for a purely thermodynamic study of the polyelectrolyte chains. Intermolecular forces between two brushes are measured using the SFA. As multi-valent concentrations are increased, the brushes collapse internally and form strong adhesion between one another after contact (properties not seen in a purely mono-valent environment).
Intermolecular Interactions in Ternary Glycerol–Sample–H2O
DEFF Research Database (Denmark)
Westh, Peter; Rasmussen, Erik Lumby; Koga, Yoshikata
2011-01-01
We studied the intermolecular interactions in ternary glycerol (Gly)–sample (S)–H2O systems at 25 °C. By measuring the excess partial molar enthalpy of Gly, HGlyEHEGly, we evaluated the Gly–Gly enthalpic interaction, HGly-GlyEHEGly--Gly, in the presence of various samples (S). For S, tert...... little effect on HGly-GlyEHEGly--Gly. This contrasts with our earlier studies on 1P–S–H2O in that Na+, F− and Cl− are found as hydration centers from the induced changes on HIP-IPEHEIP--IP in the presence of S, while Br−, I−, and SCN− are found to act as hydrophiles. In comparison with the Hofmeister...... ranking of these ions, the kosmotropes are hydration centers and the more kosmotropic the higher the hydration number, consistent with the original Hofmeister’s concept of “H2O withdrawing power.” Br−, I− and SCN−, on the other hand, acted as hydrophiles and the more chaotropic they are the more...
Localized-overlap approach to calculations of intermolecular interactions
Rob, Fazle
Symmetry-adapted perturbation theory (SAPT) based on the density functional theory (DFT) description of the monomers [SAPT(DFT)] is one of the most robust tools for computing intermolecular interaction energies. Currently, one can use the SAPT(DFT) method to calculate interaction energies of dimers consisting of about a hundred atoms. To remove the methodological and technical limits and extend the size of the systems that can be calculated with the method, a novel approach has been proposed that redefines the electron densities and polarizabilities in a localized way. In the new method, accurate but computationally expensive quantum-chemical calculations are only applied for the regions where it is necessary and for other regions, where overlap effects of the wave functions are negligible, inexpensive asymptotic techniques are used. Unlike other hybrid methods, this new approach is mathematically rigorous. The main benefit of this method is that with the increasing size of the system the calculation scales linearly and, therefore, this approach will be denoted as local-overlap SAPT(DFT) or LSAPT(DFT). As a byproduct of developing LSAPT(DFT), some important problems concerning distributed molecular response, in particular, the unphysical charge-flow terms were eliminated. Additionally, to illustrate the capabilities of SAPT(DFT), a potential energy function has been developed for an energetic molecular crystal of 1,1-diamino-2,2-dinitroethylene (FOX-7), where an excellent agreement with the experimental data has been found.
Gadomski, A; Hladyszowski, J
2015-01-01
An extension of the Coulomb-Amontons law is proposed in terms of an interaction-detail involving renormalization (simplified) n-th level scheme. The coefficient of friction is obtained in a general exponential (nonlinear) form, characteristic of virtually infinite (or, many body) level of the interaction map. Yet, its application for a hydration repulsion bilayered system, prone to facilitated lubrication, is taken as linearly confined, albeit with an inclusion of a decisive repelling force/pressure factor. Some perspectives toward related systems, fairly outside biotribological issues, have been also addressed.
Computational assignment of redox states to Coulomb blockade diamonds.
Olsen, Stine T; Arcisauskaite, Vaida; Hansen, Thorsten; Kongsted, Jacob; Mikkelsen, Kurt V
2014-09-07
With the advent of molecular transistors, electrochemistry can now be studied at the single-molecule level. Experimentally, the redox chemistry of the molecule manifests itself as features in the observed Coulomb blockade diamonds. We present a simple theoretical method for explicit construction of the Coulomb blockade diamonds of a molecule. A combined quantum mechanical/molecular mechanical method is invoked to calculate redox energies and polarizabilities of the molecules, including the screening effect of the metal leads. This direct approach circumvents the need for explicit modelling of the gate electrode. From the calculated parameters the Coulomb blockade diamonds are constructed using simple theory. We offer a theoretical tool for assignment of Coulomb blockade diamonds to specific redox states in particular, and a study of chemical details in the diamonds in general. With the ongoing experimental developments in molecular transistor experiments, our tool could find use in molecular electronics, electrochemistry, and electrocatalysis.
Coulomb Mediated Hybridization of Excitons in Coupled Quantum Dots.
Ardelt, P-L; Gawarecki, K; Müller, K; Waeber, A M; Bechtold, A; Oberhofer, K; Daniels, J M; Klotz, F; Bichler, M; Kuhn, T; Krenner, H J; Machnikowski, P; Finley, J J
2016-02-19
We report Coulomb mediated hybridization of excitonic states in optically active InGaAs quantum dot molecules. By probing the optical response of an individual quantum dot molecule as a function of the static electric field applied along the molecular axis, we observe unexpected avoided level crossings that do not arise from the dominant single-particle tunnel coupling. We identify a new few-particle coupling mechanism stemming from Coulomb interactions between different neutral exciton states. Such Coulomb resonances hybridize the exciton wave function over four different electron and hole single-particle orbitals. Comparisons of experimental observations with microscopic eight-band k·p calculations taking into account a realistic quantum dot geometry show good agreement and reveal that the Coulomb resonances arise from broken symmetry in the artificial semiconductor molecule.
Correlated Coulomb Drag in Capacitively Coupled Quantum-Dot Structures.
Kaasbjerg, Kristen; Jauho, Antti-Pekka
2016-05-13
We study theoretically Coulomb drag in capacitively coupled quantum dots (CQDs)-a bias-driven dot coupled to an unbiased dot where transport is due to Coulomb mediated energy transfer drag. To this end, we introduce a master-equation approach that accounts for higher-order tunneling (cotunneling) processes as well as energy-dependent lead couplings, and identify a mesoscopic Coulomb drag mechanism driven by nonlocal multielectron cotunneling processes. Our theory establishes the conditions for a nonzero drag as well as the direction of the drag current in terms of microscopic system parameters. Interestingly, the direction of the drag current is not determined by the drive current, but by an interplay between the energy-dependent lead couplings. Studying the drag mechanism in a graphene-based CQD heterostructure, we show that the predictions of our theory are consistent with recent experiments on Coulomb drag in CQD systems.
Applicability of the molecular dynamics method for the Coulomb plasma
International Nuclear Information System (INIS)
Zhidkov, A.G.; Galeev, R.Kh.
1993-01-01
Calculations of the local Lyapunov parameter determining the character of movement, n paticle systems, interacting according to the Coulomb law are conducted. The calculations are presented for the most probable states of fully ionized plasma
Analytical evaluation of integrals over Coulomb wave functions
International Nuclear Information System (INIS)
Nesbet, R.K.
1988-01-01
Indefinite integrals of products of Coulomb wave functions over the interval (r, ∞) can be evaluated by conversion to continued fractions. Examples are given of normalization and dipole transition integrals required in photoionization calculations. (orig.)
The Coulomb Branch of 3d N= 4 Theories
Bullimore, Mathew; Dimofte, Tudor; Gaiotto, Davide
2017-09-01
We propose a construction for the quantum-corrected Coulomb branch of a general 3d gauge theory with N=4 supersymmetry, in terms of local coordinates associated with an abelianized theory. In a fixed complex structure, the holomorphic functions on the Coulomb branch are given by expectation values of chiral monopole operators. We construct the chiral ring of such operators, using equivariant integration over BPS moduli spaces. We also quantize the chiral ring, which corresponds to placing the 3d theory in a 2d Omega background. Then, by unifying all complex structures in a twistor space, we encode the full hyperkähler metric on the Coulomb branch. We verify our proposals in a multitude of examples, including SQCD and linear quiver gauge theories, whose Coulomb branches have alternative descriptions as solutions to Bogomolnyi and/or Nahm equations.
Impact of density-dependent symmetry energy and Coulomb ...
Indian Academy of Sciences (India)
2014-03-07
Mar 7, 2014 ... The IMF production increases with the stiffness of symmetry energy. .... to clusterization using minimum spanning tree MST(M) method .... To understand the direct role of Coulomb interactions, we display in figure 4 the mean.
Coulomb Dissociation as a Tool of Nuclear Astrophysics
International Nuclear Information System (INIS)
Utsunomiya, H.
2000-01-01
My talk will begin with an introduction of the Coulomb dissociation method, proceed to discussions on Coulomb breakup of 7 Li with respect to the big-bang nucleosynthesis and end with the revision of astrophysical S-factors. The methodology based on the virtual photon source will be introduced in view of experimental techniques. The discussion will include the quantum tunnelling effect in non-resonant breakup, the lifetime of continuum states, and Coulomb distortion of relevant cross sections. Roles of multi-step processes and different multipolarities will also be discussed on the basis of solving a time-dependent Schroedinger equation. My talk will present quantitative results. The theoretical framework of the Coulomb dissociation method and a broad scope of its applications are given by G. Baur. Applications to radioactive nuclei which have quickly become vogue are discussed in the related lecture of J. Kiener. (author)
Slow relaxation mode in concentrated oil-in-water microemulsions consisting of repulsive droplets
Hattori, Y.; Ushiki, H.; Courbin, L.; Panizza, P.
2007-02-01
The present contribution reports on the observation of two diffusive relaxation modes in a concentrated microemulsion made of repulsive droplets. These two modes can be interpreted in the frame of Weissman’s and Pusey’s theoretical pioneering works. The fast mode is associated to the collective diffusion of droplets whereas the slow one corresponds to the relaxation of droplet concentration fluctuations associated with composition and/or size. We show that (i) repulsive interactions considerably slow down the latter and (ii) a generalized Stokes Einstein relationship between its coefficient of diffusion and the Newtonian viscosity of the solutions, similar to the Walden’s rule for electrolytes, holds for concentrated microemulsion systems made of repulsive droplets.
Mapping between Hamiltonians with attractive and repulsive potentials on a lattice
International Nuclear Information System (INIS)
Joglekar, Yogesh N.
2010-01-01
Through a simple and exact analytical derivation, we show that for a particle on a lattice there is a one-to-one correspondence between the spectrum in the presence of an attractive potential V and its repulsive counterpart -V. For a Hermitian potential, this result implies that the number of localized states is the same in both attractive and repulsive cases although these states occur above (below) the band continuum for the repulsive (attractive) case. For a PT-symmetric potential that is odd under parity, our result implies that, in the PT-unbroken phase, the energy eigenvalues are symmetric around zero and that the corresponding eigenfunctions are closely related to each other.
Small traveling clusters in attractive and repulsive Hamiltonian mean-field models.
Barré, Julien; Yamaguchi, Yoshiyuki Y
2009-03-01
Long-lasting small traveling clusters are studied in the Hamiltonian mean-field model by comparing between attractive and repulsive interactions. Nonlinear Landau damping theory predicts that a Gaussian momentum distribution on a spatially homogeneous background permits the existence of traveling clusters in the repulsive case, as in plasma systems, but not in the attractive case. Nevertheless, extending the analysis to a two-parameter family of momentum distributions of Fermi-Dirac type, we theoretically predict the existence of traveling clusters in the attractive case; these findings are confirmed by direct N -body numerical simulations. The parameter region with the traveling clusters is much reduced in the attractive case with respect to the repulsive case.
Energy Technology Data Exchange (ETDEWEB)
Makarewicz, Jan, E-mail: jama@amu.edu.pl; Shirkov, Leonid [Faculty of Chemistry, Adam Mickiewicz University, Umultowska 89b, 61-614 Poznań (Poland)
2016-05-28
The pyridine-Ar (PAr) van der Waals (vdW) complex is studied using a high level ab initio method. Its structure, binding energy, and intermolecular vibrational states are determined from the analytical potential energy surface constructed from interaction energy (IE) values computed at the coupled cluster level of theory with single, double, and perturbatively included triple excitations with the augmented correlation consistent polarized valence double-ζ (aug-cc-pVDZ) basis set complemented by midbond functions. The structure of the complex at its global minimum with Ar at a distance of 3.509 Å from the pyridine plane and shifted by 0.218 Å from the center of mass towards nitrogen agrees well with the corresponding equilibrium structure derived previously from the rotational spectrum of PAr. The PAr binding energy D{sub e} of 392 cm{sup −1} is close to that of 387 cm{sup −1} calculated earlier at the same ab initio level for the prototypical benzene-Ar (BAr) complex. However, under an extension of the basis set, D{sub e} for PAr becomes slightly lower than D{sub e} for BAr. The ab initio vdW vibrational energy levels allow us to estimate the reliability of the methods for the determination of the vdW fundamentals from the rotational spectra. To disclose the character of the intermolecular interaction in PAr, the symmetry-adapted perturbation theory (SAPT) is employed for the analysis of different physical contributions to IE. It is found that SAPT components of IE can be approximately expressed in the binding region by only two of them: the exchange repulsion and dispersion energy. The total induction effect is negligible. The interrelations between various SAPT components found for PAr are fulfilled for a few other complexes involving aromatic molecules and Ar or Ne, which indicates that they are valid for all rare gas (Rg) atoms and aromatics.
Orientation correlation and intermolecular structure of GeCl4, VCl4 and other tetrachloride liquids
International Nuclear Information System (INIS)
Nath, P.P.; Sarkar, S.; Joarder, R.N.
2007-01-01
The intermolecular structure and correlation of GeCl 4 , VCl 4 and other tetrachloride liquids can be well described by Misawa's orientation correlation model originally applied to liquid CCl 4 . The model supports on average a specific 'corner' to 'face' correlation, but evidently very different from 'Apollo' type model. The Misawa model appears to work, in some respect, even better than reference interaction site model (RISM) used for long to describe intermolecular structure of such molecular systems. The test and comparison are made through the calculation of small asymmetric part of the intermolecular structure and evaluation of partial atom-atom distribution functions
Fusion and quasi-elastic processes near the Coulomb barrier
International Nuclear Information System (INIS)
Abriola, D.
1987-01-01
An overview of the fusion phenomenon below Coulomb barrier is presented. The current theoretical descriptions, emphasizing the relations with direct reactions are discussed. The definition and systematic behaviour of the fusion enhancement below the Coulomb barrier are also presented. The role of coupling to surface degrees of freedom, namely permanent deformations of nuclei, inelastic and transfer channels is shown. The importance of studies describing simultaneously quase-elastic processes and fusion are also shown. (M.C.K.) [pt
Optically induced structural phase transitions in ion Coulomb crystals
DEFF Research Database (Denmark)
Horak, Peter; Dantan, Aurelien Romain; Drewsen, Michael
2012-01-01
We investigate numerically the structural dynamics of ion Coulomb crystals confined in a three-dimensional harmonic trap when influenced by an additional one-dimensional optically induced periodical potential. We demonstrate that transitions between thermally excited crystal structures, such as b......We investigate numerically the structural dynamics of ion Coulomb crystals confined in a three-dimensional harmonic trap when influenced by an additional one-dimensional optically induced periodical potential. We demonstrate that transitions between thermally excited crystal structures...
Ginzburg criterion for ionic fluids: the effect of Coulomb interactions.
Patsahan, O
2013-08-01
The effect of the Coulomb interactions on the crossover between mean-field and Ising critical behavior in ionic fluids is studied using the Ginzburg criterion. We consider the charge-asymmetric primitive model supplemented by short-range attractive interactions in the vicinity of the gas-liquid critical point. The model without Coulomb interactions exhibiting typical Ising critical behavior is used to calibrate the Ginzburg temperature of the systems comprising electrostatic interactions. Using the collective variables method, we derive a microscopic-based effective Hamiltonian for the full model. We obtain explicit expressions for all the relevant Hamiltonian coefficients within the framework of the same approximation, i.e., the one-loop approximation. Then we consistently calculate the reduced Ginzburg temperature t(G) for both the purely Coulombic model (a restricted primitive model) and the purely nonionic model (a hard-sphere square-well model) as well as for the model parameters ranging between these two limiting cases. Contrary to the previous theoretical estimates, we obtain the reduced Ginzburg temperature for the purely Coulombic model to be about 20 times smaller than for the nonionic model. For the full model including both short-range and long-range interactions, we show that t(G) approaches the value found for the purely Coulombic model when the strength of the Coulomb interactions becomes sufficiently large. Our results suggest a key role of Coulomb interactions in the crossover behavior observed experimentally in ionic fluids as well as confirm the Ising-like criticality in the Coulomb-dominated ionic systems.
Regularized friction and continuation: Comparison with Coulomb's law
Vigué, Pierre; Vergez, Christophe; Karkar, Sami; Cochelin, Bruno
2016-01-01
International audience; Periodic solutions of systems with friction are difficult to investigate because of the irregular nature of friction laws. This paper examines periodic solutions and most notably stick-slip, on a simple one-degre-of-freedom system (mass, spring, damper, belt), with Coulomb's friction law, and with a regularized friction law (i.e. the friction coefficient becomes a function of relative speed, with a stiffness parameter). With Coulomb's law, the stick-slip solution is co...
Absence of Debye screening in the quantum Coulomb system
International Nuclear Information System (INIS)
Brydges, D.C.; Keller, G.
1994-01-01
We present an approximation to the quantum Coulomb plasma at equilibrium which captures the power-law violations of Debye screening which have been reported in recent papers. The objectives are (1) to produce a simpler model which we will study in forthcoming papers, and (2) to develop a strategy by which the absence of screening can be proven for the low-density quantum Coulomb plasma itself
Trace of a water droplet exerted by coulomb force. 2
International Nuclear Information System (INIS)
Sugita, Hideaki; Murakami, Takuro; Nakazawa, Takeshi; Nakasako, Makoto; Yoshimura, Takuma; Osarakawa, Toshihiro
2002-01-01
The movement of water droplets in the air-water separator is based on the principle of the electrostatic precipitator with positive and negative poles. The mechanism of separation is that the water droplets charged negative ions or electrons by corona discharge are collected on the positive pole by Coulomb force operating between the both poles. This paper describes the theoretical analyses that how the movement of a water droplet is affected by Coulomb force in the air-water separator. (author)
Unstable system with Coulomb interaction distorted near the origin
International Nuclear Information System (INIS)
Kerbikov, B.O.
1981-01-01
An unstable system with Coulomb interaction distorted at small distances is considered. The results are applicable to hadronic atoms analysis. A detailed investigation of the model which can be solved exactly is presented. This model contains the separable short-range potential with the Yamaguchi form factor. Closed expressions for the modified effective range function and the Coulomb-modified scattering length ase obtained [ru
The generalized parabolic Coulomb wavefunction in spherical coordinates
Energy Technology Data Exchange (ETDEWEB)
Gasaneo, G. [Consejo Nacional de Investigaciones Cientificas y Tecnicas, Departamento de Fisica, Universidad del Sur, Buenos Aires (Argentina); Colavecchia, F.D.; Garibotti, C.R. [Consejo Nacional de Investigaciones Cientificas y Tecnicas, Centro Atomico Bariloche, Rio Negro (Argentina); Otranto, S. [Consejo Nacional de Investigaciones Cientificas y Tecnicas, Departamento de Fisica, Universidad del Sur, Buenos Aires (Argentina); Consejo Nacional de Investigaciones Cientificas y Tecnicas, Centro Atomico Bariloche, Rio Negro (Argentina)
2001-10-19
In this work we present a detailed study of the recently introduced {delta}{sub m,n} basis for three Coulomb particles. We show that the scattering and generalized Coulomb problems as well as a {phi}{sub 2} approach can be viewed as particular cases of this basis. We derive a partial wave expansion for {delta}{sub m,n} functions and analyse the reduction to some of the precedent cases. (author)
Coulomb interference and bending slope in hadron-hadron scattering
International Nuclear Information System (INIS)
Pereira, Flavio I.; Ferreira, Erasmo
1994-01-01
With the purpose of testing the results of QCD calculations on the structure of the forward elastic scattering cross-section, we analyse the coulombic-nuclear interference occurring at small values of the momentum transfer. We emphasize the influence of the hadronic structures on the determination of the Coulomb phase and consequently on the t-dependence of the strong interaction slope parameter. (author)
Characterization of ion Coulomb crystals in a linear Paul trap
International Nuclear Information System (INIS)
Okada, K.; Takayanagi, T.; Wada, M.; Ohtani, S.; Schuessler, H. A.
2010-01-01
We describe a simple and fast method for simulating observed images of ion Coulomb crystals. In doing so, cold elastic collisions between Coulomb crystals and virtual very light atoms are implemented in a molecular dynamics (MD) simulation code. Such an approach reproduces the observed images of Coulomb crystals by obtaining density plots of the statistics of existence of each ion. The simple method has the advantage of short computing time in comparison with previous calculation methods. As a demonstration of the simulation, the formation of a planar Coulomb crystal with a small number of ions has been investigated in detail in a linear ion trap both experimentally and by simulation. However, also large Coulomb crystals including up to 1400 ions have been photographed and simulated to extract the secular temperature and the number of ions. For medium-sized crystals, a comparison between experiments and calculations has been performed. Moreover, an MD simulation of the sympathetic cooling of small molecular ions was performed in order to test the possibility of extracting the temperature and the number of refrigerated molecular ions from crystal images of laser-cooled ions. Such information is basic to studying ultracold ion-molecule reactions using ion Coulomb crystals including sympathetically cooled molecular ions.
International Nuclear Information System (INIS)
Wang Peng-Fei; Xu Zhong-Bin; Ruan Xiao-Dong; Fu Xin
2015-01-01
The Hong–Strogatz (HS) model of globally coupled phase oscillators with attractive and repulsive interactions reflects the fact that each individual (oscillator) has its own attitude (attractive or repulsive) to the same environment (mean field). Previous studies on HS model focused mainly on the stable states on Ott–Antonsen (OA) manifold. In this paper, the eigenvalues of the Jacobi matrix of each fixed point in HS model are explicitly derived, with the aim to understand the local dynamics around each fixed point. Phase transitions are described according to relative population and coupling strength. Besides, the dynamics off OA manifold is studied. (paper)
Scaling in soft spheres: fragility invariance on the repulsive potential softness
International Nuclear Information System (INIS)
Michele, Cristiano De; Sciortino, Francesco; Coniglio, Antonio
2004-01-01
We address the question of the dependence of the fragility of glass forming supercooled liquids on the 'softness' of an interacting potential by performing numerical simulation of a binary mixture of soft spheres with different power n of the interparticle repulsive potential. We show that the temperature dependence of the diffusion coefficients for various n collapses onto a universal curve, supporting the unexpected view that fragility is not related to the hard core repulsion. We also find that the configurational entropy correlates with the slowing down of the dynamics for all studied n. (letter to the editor)
Metastability and coherence of repulsive polarons in a strongly interacting Fermi mixture
DEFF Research Database (Denmark)
Kohstall, Cristoph; Zaccanti, Mattheo; Jag, Matthias
2012-01-01
show that a well-defined quasiparticle exists for strongly repulsive interactions. We measure the energy and the lifetime of this ‘repulsive polaron’9, 12, 13, and probe its coherence properties by measuring the quasiparticle residue. The results are well described by a theoretical approach that takes...... into account the finite effective range of the interaction in our system. We find that when the effective range is of the order of the interparticle spacing, there is a substantial increase in the lifetime of the quasiparticles. The existence of such a long-lived, metastable many-body state offers intriguing...
Maximum repulsed magnetization of a bulk superconductor with low pulsed field
International Nuclear Information System (INIS)
Tsuchimoto, M.; Kamijo, H.; Fujimoto, H.
2005-01-01
Pulsed field magnetization of a bulk high-T c superconductor (HTS) is important technique especially for practical applications of a bulk superconducting magnet. Full magnetization is not obtained for low pulsed field and trapped field is decreased by reversed current in the HTS. The trapped field distribution by repulsed magnetization was previously reported in experiments with temperature control. In this study, repulsed magnetization technique with the low pulsed field is numerically analyzed under assumption of variable shielding current by the temperature control. The shielding current densities are discussed to obtain maximum trapped field by two times of low pulsed field magnetizations
Distributional sources for Newman's holomorphic Coulomb field
International Nuclear Information System (INIS)
Kaiser, Gerald
2004-01-01
Newman (1973 J. Math. Phys. 14 102-3) considered the holomorphic extension E-tilde(z) of the Coulomb field E(x) in R 3 . From an analysis of its multipole expansion, he concluded that the real and imaginary parts E(x+iy)≡Re E-tilde(x+iy), H(x+iy)≡Im E-tilde(x+iy), viewed as functions of x, are the electric and magnetic fields generated by a spinning ring of charge R. This represents the EM part of the Kerr-Newman solution to the Einstein-Maxwell equations (Newman E T and Janis A I 1965 J. Math. Phys. 6 915-7; Newman E T et al 1965 J. Math. Phys. 6 918-9). As already pointed out in Newman and Janis (1965 J. Math. Phys. 6 915-7), this interpretation is somewhat problematic since the fields are double-valued. To make them single-valued, a branch cut must be introduced so that R is replaced by a charged disc D having R as its boundary. In the context of curved spacetime, D becomes a spinning disc of charge and mass representing the singularity of the Kerr-Newman solution. Here we confirm the above interpretation of E and H without resorting to asymptotic expansions, by computing the charge and current densities directly as distributions in R 3 supported in D. This will show that D spins rigidly at the critical rate so that its rim R moves at the speed of light
Optical Trapping of Ion Coulomb Crystals
Directory of Open Access Journals (Sweden)
Julian Schmidt
2018-05-01
Full Text Available The electronic and motional degrees of freedom of trapped ions can be controlled and coherently coupled on the level of individual quanta. Assembling complex quantum systems ion by ion while keeping this unique level of control remains a challenging task. For many applications, linear chains of ions in conventional traps are ideally suited to address this problem. However, driven motion due to the magnetic or radio-frequency electric trapping fields sometimes limits the performance in one dimension and severely affects the extension to higher-dimensional systems. Here, we report on the trapping of multiple barium ions in a single-beam optical dipole trap without radio-frequency or additional magnetic fields. We study the persistence of order in ensembles of up to six ions within the optical trap, measure their temperature, and conclude that the ions form a linear chain, commonly called a one-dimensional Coulomb crystal. As a proof-of-concept demonstration, we access the collective motion and perform spectrometry of the normal modes in the optical trap. Our system provides a platform that is free of driven motion and combines advantages of optical trapping, such as state-dependent confinement and nanoscale potentials, with the desirable properties of crystals of trapped ions, such as long-range interactions featuring collective motion. Starting with small numbers of ions, it has been proposed that these properties would allow the experimental study of many-body physics and the onset of structural quantum phase transitions between one- and two-dimensional crystals.
Functional theory of extended Coulomb systems
International Nuclear Information System (INIS)
Martin, R.M.; Ortiz, G.
1997-01-01
A consistent formulation is presented for a functional theory of extended quantum many-particle systems with long-range Coulomb interactions, which extends the density-functional theory of Hohenberg and Kohn to encompass the theory of dielectrics formulated in terms of electric fields and polarization. We show that a complete description of insulators in the thermodynamic limit requires a functional of density and macroscopic polarization; nevertheless, for any insulator the state with zero macroscopic electric field can be considered a reference state that is a functional of the density alone. Dielectric phenomena involve the behavior of the material in the presence of macroscopic electric fields that induce changes of the macroscopic polarization from its equilibrium value in the reference state. In the thermodynamic limit there is strictly no ground state and constraints must be placed upon the electronic wave functions in order to have a well-defined energy functional; within these constrained subspaces the Hohenberg-Kohn theorems can be generalized in terms of the density and the change in the macroscopic polarization. The essential role of the polarization is shown by an explicit example of two potentials that lead to the same periodic density in a crystal, but different macroscopic electric fields and polarization. In the Kohn-Sham approach both the kinetic and the exchange-correlation energy are shown to depend upon the changes in polarization; this leads to generalized Kohn-Sham equations with a nonlocal operator. The effect can be traced to the polarization of the average exchange-correlation hole itself in the presence of macroscopic fields, which is essential for an exact description of static dielectric phenomena. copyright 1997 The American Physical Society
Kinetic theory for strongly coupled Coulomb systems
Dufty, James; Wrighton, Jeffrey
2018-01-01
The calculation of dynamical properties for matter under extreme conditions is a challenging task. The popular Kubo-Greenwood model exploits elements from equilibrium density-functional theory (DFT) that allow a detailed treatment of electron correlations, but its origin is largely phenomenological; traditional kinetic theories have a more secure foundation but are limited to weak ion-electron interactions. The objective here is to show how a combination of the two evolves naturally from the short-time limit for the generator of the effective single-electron dynamics governing time correlation functions without such limitations. This provides a theoretical context for the current DFT-related approach, the Kubo-Greenwood model, while showing the nature of its corrections. The method is to calculate the short-time dynamics in the single-electron subspace for a given configuration of the ions. This differs from the usual kinetic theory approach in which an average over the ions is performed as well. In this way the effective ion-electron interaction includes strong Coulomb coupling and is shown to be determined from DFT. The correlation functions have the form of the random-phase approximation for an inhomogeneous system but with renormalized ion-electron and electron-electron potentials. The dynamic structure function, density response function, and electrical conductivity are calculated as examples. The static local field corrections in the dielectric function are identified in this way. The current analysis is limited to semiclassical electrons (quantum statistical potentials), so important quantum conditions are excluded. However, a quantization of the kinetic theory is identified for broader application while awaiting its detailed derivation.
Intermolecular energy transfer in binary systems of dye polymers
Liu, Lin-I.; Barashkov, Nikolay N.; Palsule, Chintamani P.; Gangopadhyay, Shubhra; Borst, Walter L.
2000-10-01
We present results and physical interpretations for the energy transfer mechanisms in two-component dye polymer systems. The data consist of fluorescence emission spectra and decays. Two dyes were embedded in an epoxypolymer base, and only they participated in the energy transfer. Following pulsed laser excitation of the donor dye, energy transfer took place to the accept dye. The possible transfer paths considered here were nonradiative and radiative transfer. The latter involves two steps, emission and absorption of a photon, and therefore is relatively slow, while nonradiative transfer is a fast single step resulting from direct Coulomb interactions. A predominantly nonradiative transfer is desirable for applications, for instance in wavelength shifters in high energy particle detection. We studied the concentration effects of the dyes on the energy transfer and obtained the relative quantum efficiencies of various wavelength shifters from the fluorescence emission spectra. For low acceptor concentrations, radiative transfer was found to dominate, while nonradiative transfer became dominant at increasing dye concentrations. The fluorescence decays were analyzed with a sum-of-exponentials method and with Förster kinetics. The sum of exponential model yielded mean decay times of the dye polymers useful for a general classification. The decay times decreased as desired with increasing acceptor concentration. The samples, in which nonradiative energy transfer dominated, were analyzed with Förster kinetics. As a result, the natural decay times of the donor and acceptor dyes and the critical radii for nonradiative energy transfer were obtained from a global best fit.
International Nuclear Information System (INIS)
Simperler, A.
1999-03-01
Intra- and intermolecular H-bonds have been investigated with spectroscopic, quantum chemical, and molecular dynamics methods. The work is divided into the following three parts: 1. Intramolecular interactions in ortho-substituted phenols. Theoretical and experimental data that characterizes the intramolecular hydrogen bonds in 48 different o-substituted phenols are discussed. The study covers various kinds of O-H ... Y -type interactions (Y= N, O, S, F, Cl, Br, I, C=C, C=-C, and C-=N). The bond strength sequences for several series of systematically related compounds as obtained from IR spectroscopy data (i.e., v(OH) stretching frequencies) are discussed and reproduced with several theoretical methods (B3LYP/6-31G(d,p), B3LYP/6-311G(d,p), B3LYP/6-31++G(d,p), B3LYP/DZVP, MP2/6-31G(d,p), and MP2/6-31++G(d,p) levels of theory). The experimentally determined sequences are interpreted in terms of the intrinsic properties of the molecules: hydrogen bond distances, Mulliken partial charges, van der Waals radii, and electron densities of the Y-proton acceptors. 2. Competitive hydrogen bonds and conformational equilibria in 2,6-disubstituted phenols containing two different carbonyl substituents. The rotational isomers of ten unsymmetrical 2,6-disubstituted phenols as obtained by combinations of five different carbonyl substituents (COOH, COOCH 3 , CHO, COCH 3 , and CONH 2 ) have been theoretically investigated at the B3LYP/6-31G(d,p) level of theory. The relative stability of four to five conformers of each compound were determined by full geometry optimization for free molecules as well as for molecules in reaction fields with dielectric constants up to ε=37.5. A comparison with IR spectroscopic data of available compounds revealed excellent agreement with the theoretically predicted stability sequences and conformational equilibria. The stability of a conformer could be interpreted to be governed by the following two contributions: (i) an attractive hydrogen bond
Analysis of intermolecular RNA-RNA recombination by rubella virus
International Nuclear Information System (INIS)
Adams, Sandra D.; Tzeng, W.-P.; Chen, M.-H.; Frey, Teryl K.
2003-01-01
To investigate whether rubella virus (RUB) undergoes intermolecular RNA-RNA recombination, cells were cotransfected with pairs of in vitro transcripts from genomic cDNA plasmid vectors engineered to contain nonoverlapping deletions: the replicative transcript maintained the 5'-proximal nonstructural (NS) ORF (which contained the replicase, making it RNA replication competent), had a deletion in the 3'-proximal structural protein (SP) ORF, and maintained the 3' end of the genome, including the putative 3' cis-acting elements (CSE), while the nonreplicative transcript consisted of the 3' half of the genome including the SP-ORF and 3' CSE. Cotransfection yielded plaque-forming virus that synthesized the standard genomic and subgenomic RNAs and thus was generated by RNA-RNA recombination. Using transcripts tagged with a 3'-terminal deletion, it was found that recombinants contained the 3' end derived from the replicative strand, indicating a cis-preference for initiation of negative-strand synthesis. In cotransfections in which the replicative transcript lacked the 3' CSE, recombination occurred, albeit at lower efficiency, indicating that initiation in trans from the NS-ORF can occur. The 3' CSE was sufficient as a nonreplicative transcript, showing that it can serve as a promoter for negative-strand RNA synthesis. While deletion mutagenesis showed that the presence of the junction untranslated region (J-UTR) between the ORFs appeared to be necessary on both transcripts for recombination in this region of the genome, analysis with transcripts tagged with restriction sites showed that the J-UTR was not a hot spot for recombination compared to neighboring regions in both ORFs. Sequence analysis of recombinants revealed that both precise (homologous) and imprecise recombination (aberrant, homologous resulting in duplications) occurred; however, imprecise recombination only involved the J-UTR or the 3' end of the NS-ORF and the J-UTR (maintaining the NS-ORF), indicating
Exciplex: An Intermolecular Charge-Transfer Approach for TADF.
Sarma, Monima; Wong, Ken-Tsung
2018-04-03
Organic materials that display thermally activated delayed fluorescence (TADF) are a striking class of functional materials that have witnessed a booming progress in recent years. In addition to pure TADF emitters achieved by the subtle manipulations of intramolecular charge transfer processes with sophisticated molecular structures, a new class of efficient TADF-based OLEDs with emitting layer formed by blending electron donor and acceptor molecules that involve intermolecular charge transfer have also been fabricated. In contrast to pure TADF materials, the exciplex-based systems can realize small ΔEST (0-0.05 eV) much more easily since the electron and hole are positioned on two different molecules, thereby giving small exchange energy. Consequently, exciplex-based OLEDs have the prospective to maximize the TADF contribution and achieve theoretical 100% internal quantum efficiency. Therefore, the challenging issue of achieving small ΔEST in organic systems could be solved. In this article, we summarize and discuss the latest and most significant developments regarding these rapidly evolving functional materials, wherein the majority of the reported exciplex forming systems are categorized into two sub-groups, viz. (a) exciplex as TADF emitters and (b) those as hosts for fluorescent, phosphorescent and TADF dopants according to their structural features and applications. The working mechanisms of the direct electroluminescence from the donor/acceptor interface and the exciplex-forming systems as co-host for the realization of high efficiency OLEDs are reviewed and discussed. This article delivers a summary of the current progresses and achievements of exciplex-based researches and points out the future challenges to trigger more research endeavors to this growing field.
Catalytic Intermolecular Cross-Couplings of Azides and LUMO-Activated Unsaturated Acyl Azoliums
Li, Wenjun; Ajitha, Manjaly John; Lang, Ming; Huang, Kuo-Wei; Wang, Jian
2017-01-01
An example for the catalytic synthesis of densely functionalized 1,2,3-triazoles through a LUMO activation mode has been developed. The protocol is enabled by intermolecular cross coupling reactions of azides with in situ-generated alpha
International Nuclear Information System (INIS)
Maxton, P.M.; Schaeffer, M.W.; Ohline, S.M.; Kim, W.; Venturo, V.A.; Felker, P.M.
1994-01-01
Theoretical and experimental results pertaining to the excitation of intermolecular vibrations in the Raman and vibronic spectra of aromatic-containing, weakly bound complexes and clusters are reported. The theoretical analysis of intermolecular Raman activity is based on the assumption that the polarizability tensor of a weakly bound species is given by the sum of the polarizability tensors of its constituent monomers. The analysis shows that the van der Waals bending fundamentals in aromatic--rare gas complexes may be expected to be strongly Raman active. More generally, it predicts strong Raman activity for intermolecular vibrations that involve the libration or internal rotation of monomer moieties having appreciable permanent polarizability anisotropies. The vibronic activity of intermolecular vibrations in aromatic-rare gas complexes is analyzed under the assumption that every vibronic band gains its strength from an aromatic-localized transition. It is found that intermolecular vibrational excitations can accompany aromatic-localized vibronic excitations by the usual Franck--Condon mechanism or by a mechanism dependent on the librational amplitude of the aromatic moiety during the course of the pertinent intermolecular vibration. The latter mechanism can impart appreciable intensity to bands that are forbidden by rigid-molecule symmetry selection rules. The applicability of such rules is therefore called into question. Finally, experimental spectra of intermolecular transitions, obtained by mass-selective, ionization-detected stimulated Raman spectroscopies, are reported for benzene--X (X=Ar, --Ar 2 , N 2 , HCl, CO 2 , and --fluorene), fluorobenzene--Ar and --Kr, aniline--Ar, and fluorene--Ar and --Ar 2 . The results support the conclusions of the theoretical analyses and provide further evidence for the value of Raman methods in characterizing intermolecular vibrational level structures
International Nuclear Information System (INIS)
Hoffmann, B.
1984-07-01
In three chapters different physical situations are described which have commonly the Coulomb interaction as driving force. The first two chapters study the Coulomb interactions in connection with the excitation of inner electron shells and the Coulomb excitation of nuclei in first order. In the third part on effect ofthe Coulomb interaction between electronic shell and nucleus is treated in second order (nuclear polarization), and its effect on the isotopic and isomeric shift is studied. (orig./HSI) [de
Intermolecular failure of L-type Ca2+ channel and ryanodine receptor signaling in hypertrophy.
Directory of Open Access Journals (Sweden)
Ming Xu
2007-02-01
Full Text Available Pressure overload-induced hypertrophy is a key step leading to heart failure. The Ca(2+-induced Ca(2+ release (CICR process that governs cardiac contractility is defective in hypertrophy/heart failure, but the molecular mechanisms remain elusive. To examine the intermolecular aspects of CICR during hypertrophy, we utilized loose-patch confocal imaging to visualize the signaling between a single L-type Ca(2+ channel (LCC and ryanodine receptors (RyRs in aortic stenosis rat models of compensated (CHT and decompensated (DHT hypertrophy. We found that the LCC-RyR intermolecular coupling showed a 49% prolongation in coupling latency, a 47% decrease in chance of hit, and a 72% increase in chance of miss in DHT, demonstrating a state of "intermolecular failure." Unexpectedly, these modifications also occurred robustly in CHT due at least partially to decreased expression of junctophilin, indicating that intermolecular failure occurs prior to cellular manifestations. As a result, cell-wide Ca(2+ release, visualized as "Ca(2+ spikes," became desynchronized, which contrasted sharply with unaltered spike integrals and whole-cell Ca(2+ transients in CHT. These data suggested that, within a certain limit, termed the "stability margin," mild intermolecular failure does not damage the cellular integrity of excitation-contraction coupling. Only when the modification steps beyond the stability margin does global failure occur. The discovery of "hidden" intermolecular failure in CHT has important clinical implications.
Pan, Xiaoyong; Wang, Weizhi; Ke, Lin; Zhang, Nan
2017-07-20
In this report, we showed the existence of RET induced intermolecular pairing force by comparing their fluorescence behaviors under room illumination vs standing in dark area for either PFluAnt solution or PFluAnt&PFOBT mixture. Their prominent emission attenuation under room illumination brought out the critical role of photo, i.e. RET induced intermolecular pairing force in induction of polymer aggregation. Constant UV-Vis absorption and fluorescence spectra in terms of both peak shapes and maximum wavelengths implied no chemical decomposition was involved. Recoverable fluorescence intensity, fluorescence lifetime as well as NMR spectra further exclude photo induced decomposition. The controllable on/off state of RET induced intermolecular pairing force was verified by the masking effect of outside PFluAnt solution which function as filter to block the excitation of inside PFluAnt and thus off the RET induced intermolecular pairing force. Theoretical calculation suggest that magnitude of RET induced intermolecular pairing force is on the same scale as that of van der Waals interaction. Although the absolute magnitude of RET induced intermolecular pairing force was not tunable, its effect can be magnified by intentionally turn it "on", which was achieved by irradiance with 5 W desk lamp in this report.
Mixed-mode reversed phase/positively charged repulsion chromatography for intact protein separation.
Ding, Ling; Guo, Zhimou; Hu, Zhuo; Liang, Xinmiao
2017-05-10
A mixed-mode reversed phase/positively charged repulsion stationary phase C8PN composed of octyl and amino group has been developed for separation of intact protein. Before the separation of proteins, a set of probe compounds were employed to evaluate the chromatographic properties of C8PN, demonstrating typical reversed phase/positively charged repulsion interaction on this stationary phase as estimated. Then the new C8PN stationary phase was used to separate a standard protein mixture on the reversed phase mode. Compared with a commercial C4 stationary phase, it showed different selectivity for some proteins. In order to better understand the properties of C8PN, the effect of acetonitrile content was investigated based on retention equation. Higher values of the equation parameters on C8PN demonstrated that the protein retentions were more sensitive to the change of acetonitrile content. Besides, the influences of buffer salt additives on the protein retentions were also studied. The retention factors of the proteins got larger with the increase of buffer salt concentration, which confirmed the positively charged repulsion interaction on the column. Finally, the C8PN was further applied to separate oxidized- and reduced- forms of Recombinant Human Growth Hormone. Our study indicated the advantages and application potential of mixed-mode reversed phase/positively charged repulsion stationary phase for intact protein separation. Copyright © 2017 Elsevier B.V. All rights reserved.
Repulsively interacting fermions in a two-dimensional deformed trap with spin-orbit coupling
DEFF Research Database (Denmark)
Marchukov, O. V.; Fedorov, D. V.; Jensen, A. S.
2015-01-01
We investigate a two-dimensional system of fermions with two internal (spin) degrees of freedom. It is confined by a deformed harmonic trap and subject to a Zeeman field, Rashba or Dresselhaus one-body spin-orbit couplings and two-body short range repulsion. We obtain self-consistent mean-field $N...
Discontinuous nature of the repulsive-to-attractive colloidal glass transition.
van de Laar, T; Higler, R; Schroën, K; Sprakel, J
2016-03-04
In purely repulsive colloidal systems a glass transition can be reached by increasing the particle volume fraction beyond a certain threshold. The resulting glassy state is governed by configurational cages which confine particles and restrict their motion. A colloidal glass may also be formed by inducing attractive interactions between the particles. When attraction is turned on in a repulsive colloidal glass a re-entrant solidification ensues. Initially, the repulsive glass melts as free volume in the system increases. As the attraction strength is increased further, this weakened configurational glass gives way to an attractive glass in which motion is hindered by the formation of physical bonds between neighboring particles. In this paper, we study the transition from repulsive-to-attractive glasses using three-dimensional imaging at the single-particle level. We show how the onset of cage weakening and bond formation is signalled by subtle changes in local structure. We then demonstrate the discontinuous nature of the solid-solid transition, which is marked by a critical onset at a threshold bonding energy. Finally, we highlight how the interplay between bonding and caging leads to complex and heterogeneous dynamics at the microscale.
Spontaneous symmetry breaking due to the trade-off between attractive and repulsive couplings.
Sathiyadevi, K; Karthiga, S; Chandrasekar, V K; Senthilkumar, D V; Lakshmanan, M
2017-04-01
Spontaneous symmetry breaking is an important phenomenon observed in various fields including physics and biology. In this connection, we here show that the trade-off between attractive and repulsive couplings can induce spontaneous symmetry breaking in a homogeneous system of coupled oscillators. With a simple model of a system of two coupled Stuart-Landau oscillators, we demonstrate how the tendency of attractive coupling in inducing in-phase synchronized (IPS) oscillations and the tendency of repulsive coupling in inducing out-of-phase synchronized oscillations compete with each other and give rise to symmetry breaking oscillatory states and interesting multistabilities. Further, we provide explicit expressions for synchronized and antisynchronized oscillatory states as well as the so called oscillation death (OD) state and study their stability. If the Hopf bifurcation parameter (λ) is greater than the natural frequency (ω) of the system, the attractive coupling favors the emergence of an antisymmetric OD state via a Hopf bifurcation whereas the repulsive coupling favors the emergence of a similar state through a saddle-node bifurcation. We show that an increase in the repulsive coupling not only destabilizes the IPS state but also facilitates the reentrance of the IPS state.
Dissecting Repulsive Guidance Molecule/Neogenin function and signaling during neural development
van den Heuvel, D.M.A.
2013-01-01
During neural development a series of precisely ordered cellular processes acts to establish a functional brain comprising millions of neurons and many more neuronal connections. Neogenin and its repulsive guidance molecule (RGM) ligands contribute to neuronal network formation by inducing axon
Regardless-of-Speed Superconducting LSM Controlled-Repulsive MAGLEV Vehicle
Yoshida, Kinjiro; Egashira, Tatsuya; Hirai, Ryuichi
1996-01-01
This paper proposes a new repulsive Maglev vehicle which a superconducting linear synchronous motor (LSM) can levitate and propel simultaneously, independently of the vehicle speeds. The combined levitation and propulsion control is carried out by controlling mechanical-load angle and armature-current. Dynamic simulations show successful operations with good ride-quality by using a compact control method proposed here.
Interaction potential and repulsive force between atoms whose internuclear separations are small
International Nuclear Information System (INIS)
Barbaro, Jacques
1971-01-01
The Thomas-Fermi equation is solved for the homonuclear diatomic molecule. The electronic density and electrostatic potential at each point are used to calculate energies and interaction potentials for very small internuclear separation distances. The repulsive force between atoms is derived by means of the virial theorem. (author) [fr
Evidence of central repulsion potential from pionic decay of s-shell Λ-hypernuclei
International Nuclear Information System (INIS)
Kumagai-Fuse, I.; Okabe, S.; Akaishi, Y.
1994-10-01
Pionic decays of A=4 and 5 hypernuclei are discussed to obtain information about a nucleus-Λ potential. Results for the available decay widths support as a whole that the nucleus-Λ potential has central repulsion not only in A=5 but also in A=4 hypernuclei. (author)
The decay of a false vacuum and the density of states in a random, repulsive potential
International Nuclear Information System (INIS)
Neuberger, H.
1982-01-01
The replica method is applied to a disordered system built out of randomly distributed, purely repulsive scattering centers. The emerging field theoretical model has a classical solution, a bounce, which gives both the leading form of the level density and the typical ground-state wave function. (orig.)
Role of electrostatic repulsion on colloidal stability of Bacillus halmapalus alpha-amylase
DEFF Research Database (Denmark)
Olsen, Søren Nymand; Andersen, Kim Bruno; Randolf, Theodor
2009-01-01
Bacillus halmapalus α-amylase (BHA) as a model protein. Repulsive forces between partly unfolded monomers were shown to strongly affect aggregation. Adding salt, increasing valence of counter ions or decreasing pH in the direction of pI resulted in a shift in the rate-limiting step from association...
Bosons system with finite repulsive interaction: self-consistent field method
International Nuclear Information System (INIS)
Renatino, M.M.B.
1983-01-01
Some static properties of a boson system (T = zero degree Kelvin), under the action of a repulsive potential are studied. For the repulsive potential, a model was adopted consisting of a region where it is constant (r c ), and a decay as 1/r (r > r c ). The self-consistent field approximation used takes into account short range correlations through a local field corrections, which leads to an effective field. The static structure factor S(q-vector) and the effective potential ψ(q-vector) are obtained through a self-consistent calculation. The pair-correlation function g(r-vector) and the energy of the collective excitations E(q-vector) are also obtained, from the structure factor. The density of the system and the parameters of the repulsive potential, that is, its height and the size of the constant region were used as variables for the problem. The results obtained for S(q-vector), g(r-vector) and E(q-vector) for a fixed ratio r o /r c and a variable λ, indicates the raising of a system structure, which is more noticeable when the potential became more repulsive. (author)
Emergence of amplitude death scenario in a network of oscillators under repulsive delay interaction
International Nuclear Information System (INIS)
Bera, Bidesh K.; Hens, Chittaranjan; Ghosh, Dibakar
2016-01-01
Highlights: • Amplitude death is observed using repulsive mean coupling. • Analytical conditions for amplitude death are derived. • Effect of asymmetry time delay coupling for death is discussed. - Abstract: We report the existence of amplitude death in a network of identical oscillators under repulsive mean coupling. Amplitude death appears in a globally coupled network of identical oscillators with instantaneous repulsive mean coupling only when the number of oscillators is more than two. We further investigate that, amplitude death may emerge even in two coupled oscillators as well as network of oscillators if we introduce delay time in the repulsive mean coupling. We have analytically derived the region of amplitude death island and find out how strength of delay controls the death regime in two coupled or a large network of coupled oscillators. We have verified our results on network of delayed Mackey–Glass systems where parameters are set in hyperchaotic regime. We have also tested our coupling approach in two paradigmatic limit cycle oscillators: Stuart–Landau and Van der Pol oscillators.
The role of local repulsion in superconductivity in the Hubbard-Holstein model
Lin, Chungwei; Wang, Bingnan; Teo, Koon Hoo
2017-01-01
We examine the superconducting solution in the Hubbard-Holstein model using Dynamical Mean Field Theory. The Holstein term introduces the site-independent Boson fields coupling to local electron density, and has two competing influences on superconductivity: The Boson field mediates the effective electron-electron attraction, which is essential for the S-wave electron pairing; the same coupling to the Boson fields also induces the polaron effect, which makes the system less metallic and thus suppresses superconductivity. The Hubbard term introduces an energy penalty U when two electrons occupy the same site, which is expected to suppress superconductivity. By solving the Hubbard-Holstein model using Dynamical Mean Field theory, we find that the Hubbard U can be beneficial to superconductivity under some circumstances. In particular, we demonstrate that when the Boson energy Ω is small, a weak local repulsion actually stabilizesthe S-wave superconducting state. This behavior can be understood as an interplay between superconductivity, the polaron effect, and the on-site repulsion: As the polaron effect is strong and suppresses superconductivity in the small Ω regime, the weak on-site repulsion reduces the polaron effect and effectively enhances superconductivity. Our calculation elucidates the role of local repulsion in the conventional S-wave superconductors.
Emergence of amplitude death scenario in a network of oscillators under repulsive delay interaction
Energy Technology Data Exchange (ETDEWEB)
Bera, Bidesh K., E-mail: bideshbera18@gmail.com [Physics and Applied Mathematics Unit, Indian Statistical Institute, Kolkata 700108 (India); Hens, Chittaranjan, E-mail: chittaranjanhens@gmail.com [Department of Mathematics, Bar-Ilan University, Ramat Gan 52900 (Israel); Ghosh, Dibakar, E-mail: dibakar@isical.ac.in [Physics and Applied Mathematics Unit, Indian Statistical Institute, Kolkata 700108 (India)
2016-07-15
Highlights: • Amplitude death is observed using repulsive mean coupling. • Analytical conditions for amplitude death are derived. • Effect of asymmetry time delay coupling for death is discussed. - Abstract: We report the existence of amplitude death in a network of identical oscillators under repulsive mean coupling. Amplitude death appears in a globally coupled network of identical oscillators with instantaneous repulsive mean coupling only when the number of oscillators is more than two. We further investigate that, amplitude death may emerge even in two coupled oscillators as well as network of oscillators if we introduce delay time in the repulsive mean coupling. We have analytically derived the region of amplitude death island and find out how strength of delay controls the death regime in two coupled or a large network of coupled oscillators. We have verified our results on network of delayed Mackey–Glass systems where parameters are set in hyperchaotic regime. We have also tested our coupling approach in two paradigmatic limit cycle oscillators: Stuart–Landau and Van der Pol oscillators.
Absence of level-repulsion in a two-state Hamiltonian
International Nuclear Information System (INIS)
Ahmed, Zafar
2007-01-01
But for the inclusion of scattering states, we point out that the two-state method (the so called perturbation method of nearly degenerate levels) for a perturbed two-state Hamiltonian is exact , yet the prediction of the level-repulsion by this method could be contradicted by the exact quantal eigenvalues. (author)
Coulomb dissociation in relativistic heavy ion reactions
International Nuclear Information System (INIS)
Mercier, M.T.
1982-01-01
Targets of 12 C, 59 Co, 89 Y, 197 Au and 238 U were bombarded by 2.1 GeV/A 1 H, 12 C and 20 Ne projectiles using the SuperHILAC and BEVATRON facilities at Lawrence Berkeley Laboratory (LBL). The beam flux was calculated by monitoring the decay of 11 C produced from the 12 C(projectile,projectile n) 11 C reaction. Residual gamma-ray activity from the Co, Y, Au and U targets was collected in order to trace the decay of several reaction products. The experiment focused on the calculation of cross sections for the formation of products with one neutron removed from the various target nuclei. Corrections to the saturation activity of each product were made for detector efficiency, gamma-ray absorption in the target, gamma-ray branching, beam geometry and secondary reactions. These date are shown to be inconsistent with a geometrical form given by sigma varies as (A/sub p/sup 1/3/ + A/sub t/sup 1/3/ - b) where b is a universal constant. In fact the data indicates the b = A/sub t/sup 1/3/. Instead the data can be fit quite well by a simple empirical relation, sigma/sub emp/ = 12.0 mb A/sub p/sup 1/3/ A/sub t/sup 1/3/. It is demonstrated that an empirical fit which varies as A/sub t/sup 1/3/ is also consistent with projectile fragmentation data measured by a group at LBL. In addition these data are compared to a theoretical prediction which is the sum of a renormalized Glauber term and a term which represents the contribution due to Coulomb or electromagnetic dissociation (ED). The theoretical predictions are quite low for the 12 C projectile data and high for the 20 Ne projectile data. The systematic trends from the comparison seem to indicate that theoretical prediction for the ED contribution is rising too fast as a function of projectile for a given target
Intermolecular proton transfer in anionic complexes of uracil with alcohols
International Nuclear Information System (INIS)
Haranczyk, Maciej; Rak, Janusz; Gutowski, Maciej S.; Radisic, Dunja; Stokes, Sarah T.; Bowen, Kit H.
2005-01-01
A series of eighteen alcohols (ROH) has been designed with an enthalpy of deprotonation (H DP ) in a range of 13.8-16.3 eV. The effects of excess electron attachment to the binary alcohol-uracil (ROH...U) complexes have been studied at the density functional level with a B3LYP exchange-correlation functional and at the second order Moeller-Plesset perturbation theory level. The photoelectron spectra of anionic complexes of uracil with three alcohols (ethanol, 2,2,3,3,3-pentafluoroethanol and 1,1,1,3,3,3-hexafluoro-2-propanol) have been measured with 2.54 eV photons. For ROHs with deprotonation enthalpies larger than 14.8 eV only the ROH...U - minimum exists on the potential energy surface of the anionic complex. For alcohols with deprotonation enthalpies in a range of 14.3-14.8 eV two minima might exist on the anionic potential energy surface, which correspond to the RO - ...HU . and ROH...U - structures. For ROHs with deprotonation enthalpies smaller than 14.3 eV, the excess electron attachment to the ROH...U complex always induces a barrier-free proton transfer from the hydroxyl group of ROH to the O8 atom of U, with the product being RO - ...HU . . A driving force for the intermolecular proton transfer is to stabilize the excess negative charge localized on a orbital of uracil. Therefore, these complexes with proton transferred to the anionic uracil are characterized by larger values of electron vertical detachment energy (VDE). The values of VDE for anionic complexes span a range from 1.0 to 2.3 eV and roughly correlate with the acidity of alcohols. However, there is a gap of ∼0.5 eV in the values of VDE, which separates the two families, ROH...U - and RO - ...HU . , of anionic complexes. The energy of stabilization for the anionic complexes spans a range from 0.6 to 1.7 eV and roughly correlates with the acidity of alcohols. The measured photoelectron spectra are in good agreement with the theoretical predictions
Coulomb effects in relativistic laser-assisted Mott scattering
International Nuclear Information System (INIS)
Ngoko Djiokap, J.M.; Kwato Njock, M.G.; Tetchou Nganso, H.M.
2004-09-01
We reconsider the influence of the Coulomb interaction on the process of relativistic Mott scattering in a powerful electromagnetic plane wave for which the ponderomotive energy is of the order of the magnitude of the electron's rest mass. Coulomb effects of the bare nucleus on the laser-dressed electron are treated more completely than in the previous work of Li et al. [J. Phys. B: At. Mol. Opt. Phys. 37 (2004) 653]. To this end we use Coulomb-Dirac-Volkov functions to describe the initial and the final states of the electron. First-order Born differential cross sections of induced and inverse bremsstrahlung are obtained for circularly and linearly polarized laser light. Numerical calculations are carried out from both polarizations, for various nucleus charge values, three angular configurations and an incident energy in the MeV range. It is found that for parameters used in the present work, incorporating Coulomb effects of the target nucleus either in the initial state or in the final state yields cross sections which are quite similar whatever the scattering geometry and polarization considered. When Coulomb distortions are included in both states, the cross sections are strongly modified with the increase of Z, as compared to the outcome of the prior form of the T-matrix treatment. (author)
Verification of the Rigidity of the Coulomb Field in Motion
Blinov, S. V.; Bulyzhenkov, I. É.
2018-06-01
Laplace, analyzing the stability of the Solar System, was the first to calculate that the velocity of the motion of force fields can significantly exceed the velocity of light waves. In electrodynamics, the Coulomb field should rigidly accompany its source for instantaneous force action in distant regions. Such rigid motion was recently inferred from experiments at the Frascati Beam Test Facility with short beams of relativistic electrons. The comments of the authors on their observations are at odds with the comments of theoreticians on retarded potentials, which motivates a detailed study of the positions of both sides. Predictions of measurements, based on the Lienard-Wiechert potentials, are used to propose an unambiguous scheme for testing the rigidity of the Coulomb field. Realization of the proposed experimental scheme could independently refute or support the assertions of the Italian physicists regarding the rigid motion of Coulomb fields and likewise the nondual field approach to macroscopic reality.
Metal nanoparticle film-based room temperature Coulomb transistor.
Willing, Svenja; Lehmann, Hauke; Volkmann, Mirjam; Klinke, Christian
2017-07-01
Single-electron transistors would represent an approach to developing less power-consuming microelectronic devices if room temperature operation and industry-compatible fabrication were possible. We present a concept based on stripes of small, self-assembled, colloidal, metal nanoparticles on a back-gate device architecture, which leads to well-defined and well-controllable transistor characteristics. This Coulomb transistor has three main advantages. By using the scalable Langmuir-Blodgett method, we combine high-quality chemically synthesized metal nanoparticles with standard lithography techniques. The resulting transistors show on/off ratios above 90%, reliable and sinusoidal Coulomb oscillations, and room temperature operation. Furthermore, this concept allows for versatile tuning of the device properties such as Coulomb energy gap and threshold voltage, as well as period, position, and strength of the oscillations.
Coulomb matrix elements in multi-orbital Hubbard models.
Bünemann, Jörg; Gebhard, Florian
2017-04-26
Coulomb matrix elements are needed in all studies in solid-state theory that are based on Hubbard-type multi-orbital models. Due to symmetries, the matrix elements are not independent. We determine a set of independent Coulomb parameters for a d-shell and an f-shell and all point groups with up to 16 elements (O h , O, T d , T h , D 6h , and D 4h ). Furthermore, we express all other matrix elements as a function of the independent Coulomb parameters. Apart from the solution of the general point-group problem we investigate in detail the spherical approximation and first-order corrections to the spherical approximation.
Intershell resistance in multiwall carbon nanotubes: A Coulomb drag study
DEFF Research Database (Denmark)
Lunde, Anders Mathias; Flensborg, Karsten; Jauho, Antti-Pekka
2005-01-01
We calculate the intershell resistance R-21 in a multiwall carbon nanotube as a function of temperature T and Fermi level epsilon(F) (e.g., a gate voltage), varying the chirality of the inner and outer tubes. This is done in a so-called Coulomb drag setup, where a current I-1 in one shell induces...... a voltage drop V-2 in another shell by the screened Coulomb interaction between the shells neglecting the intershell tunneling. We provide benchmark results for R-21 = V2/I-1 within the Fermi liquid theory using Boltzmann equations. The band structure gives rise to strongly chirality-dependent suppression...... effects for the Coulomb drag between different tubes due to selection rules combined with mismatching of wave vector and crystal angular momentum conservation near the Fermi level. This gives rise to orders of magnitude changes in R-21 and even the sign of R-21 can change depending on the chirality...
Metal nanoparticle film–based room temperature Coulomb transistor
Willing, Svenja; Lehmann, Hauke; Volkmann, Mirjam; Klinke, Christian
2017-01-01
Single-electron transistors would represent an approach to developing less power–consuming microelectronic devices if room temperature operation and industry-compatible fabrication were possible. We present a concept based on stripes of small, self-assembled, colloidal, metal nanoparticles on a back-gate device architecture, which leads to well-defined and well-controllable transistor characteristics. This Coulomb transistor has three main advantages. By using the scalable Langmuir-Blodgett method, we combine high-quality chemically synthesized metal nanoparticles with standard lithography techniques. The resulting transistors show on/off ratios above 90%, reliable and sinusoidal Coulomb oscillations, and room temperature operation. Furthermore, this concept allows for versatile tuning of the device properties such as Coulomb energy gap and threshold voltage, as well as period, position, and strength of the oscillations. PMID:28740864
Electron transport in the presence of a Coulomb field
International Nuclear Information System (INIS)
Burgdoerfer, J.; Gibbons, J.
1990-01-01
We analyze the modifications of the transport behavior of electrons in dense media due to the presence of a strong Coulomb field generated by an ion moving initially in close phase-space correlation with the electrons. These modifications play a profound role in convoy electron emission in ion-solid collisions. The transport behavior is studied within the framework of a classical phase-space master equation. The nonseparable master equation is solved numerically using test-particle discretization and Monte Carlo sampling. In the limit of vanishing Coulomb forces the master equation becomes separable and can be reduced to standard one-dimensional kinetic equations for free-electron transport that can be solved exactly. The comparison to free-electron transport is used to gauge both the reliability of test-particle discretization and the significance of Coulomb distortion of the distribution functions. Applications to convoy-electron emission are discussed
Testing the Predictive Power of Coulomb Stress on Aftershock Sequences
Woessner, J.; Lombardi, A.; Werner, M. J.; Marzocchi, W.
2009-12-01
Empirical and statistical models of clustered seismicity are usually strongly stochastic and perceived to be uninformative in their forecasts, since only marginal distributions are used, such as the Omori-Utsu and Gutenberg-Richter laws. In contrast, so-called physics-based aftershock models, based on seismic rate changes calculated from Coulomb stress changes and rate-and-state friction, make more specific predictions: anisotropic stress shadows and multiplicative rate changes. We test the predictive power of models based on Coulomb stress changes against statistical models, including the popular Short Term Earthquake Probabilities and Epidemic-Type Aftershock Sequences models: We score and compare retrospective forecasts on the aftershock sequences of the 1992 Landers, USA, the 1997 Colfiorito, Italy, and the 2008 Selfoss, Iceland, earthquakes. To quantify predictability, we use likelihood-based metrics that test the consistency of the forecasts with the data, including modified and existing tests used in prospective forecast experiments within the Collaboratory for the Study of Earthquake Predictability (CSEP). Our results indicate that a statistical model performs best. Moreover, two Coulomb model classes seem unable to compete: Models based on deterministic Coulomb stress changes calculated from a given fault-slip model, and those based on fixed receiver faults. One model of Coulomb stress changes does perform well and sometimes outperforms the statistical models, but its predictive information is diluted, because of uncertainties included in the fault-slip model. Our results suggest that models based on Coulomb stress changes need to incorporate stochastic features that represent model and data uncertainty.
Plasmons in Dimensionally Mismatched Coulomb Coupled Graphene Systems.
Badalyan, S M; Shylau, A A; Jauho, A P
2017-09-22
We calculate the plasmon dispersion relation for Coulomb coupled metallic armchair graphene nanoribbons and doped monolayer graphene. The crossing of the plasmon curves, which occurs for uncoupled 1D and 2D systems, is split by the interlayer Coulomb coupling into a lower and an upper plasmon branch. The upper branch exhibits an unusual behavior with end points at finite q. Accordingly, the structure factor shows either a single or a double peak behavior, depending on the plasmon wavelength. The new plasmon structure is relevant to recent experiments, its properties can be controlled by varying the system parameters and be used in plasmonic applications.
Physics of the Non-Abelian Coulomb Phase
DEFF Research Database (Denmark)
Ryttov, Thomas A.; Shrock, Robert
2018-01-01
are applied to obtain further estimates of $\\gamma_{\\bar\\psi\\psi,IR}$ and $\\beta'_{IR}$ for several SU($N_c$) groups and representations $R$, and comparisons are made with lattice measurements. We apply our results to obtain new estimates of the extent of the respective non-Abelian Coulomb phases in several....... It is shown that an expansion of $\\gamma_{\\bar\\psi\\psi,IR}$ to $O(\\Delta_f^4)$ is quite accurate throughout the entire non-Abelian Coulomb phase of this supersymmetric theory....
On rate-state and Coulomb failure models
Gomberg, J.; Beeler, N.; Blanpied, M.
2000-01-01
We examine the predictions of Coulomb failure stress and rate-state frictional models. We study the change in failure time (clock advance) Δt due to stress step perturbations (i.e., coseismic static stress increases) added to "background" stressing at a constant rate (i.e., tectonic loading) at time t0. The predictability of Δt implies a predictable change in seismicity rate r(t)/r0, testable using earthquake catalogs, where r0 is the constant rate resulting from tectonic stressing. Models of r(t)/r0, consistent with general properties of aftershock sequences, must predict an Omori law seismicity decay rate, a sequence duration that is less than a few percent of the mainshock cycle time and a return directly to the background rate. A Coulomb model requires that a fault remains locked during loading, that failure occur instantaneously, and that Δt is independent of t0. These characteristics imply an instantaneous infinite seismicity rate increase of zero duration. Numerical calculations of r(t)/r0 for different state evolution laws show that aftershocks occur on faults extremely close to failure at the mainshock origin time, that these faults must be "Coulomb-like," and that the slip evolution law can be precluded. Real aftershock population characteristics also may constrain rate-state constitutive parameters; a may be lower than laboratory values, the stiffness may be high, and/or normal stress may be lower than lithostatic. We also compare Coulomb and rate-state models theoretically. Rate-state model fault behavior becomes more Coulomb-like as constitutive parameter a decreases relative to parameter b. This is because the slip initially decelerates, representing an initial healing of fault contacts. The deceleration is more pronounced for smaller a, more closely simulating a locked fault. Even when the rate-state Δt has Coulomb characteristics, its magnitude may differ by some constant dependent on b. In this case, a rate-state model behaves like a modified
Two-dimensional QCD in the Coulomb gauge
International Nuclear Information System (INIS)
Kalashnikova, Yu.S.; Nefed'ev, A.V.
2002-01-01
Various aspects of the 't Hooft model for two-dimensional QCD in the limit of infinite number of colours in the Coulomb gauge are discussed. The properties of mesonic excitations are studied, with special emphasis on the pion. Attention is paid to the dual role of the pion. which, while a genuine qq-bar state, is a Goldstone boson of two-dimensional QCD as well. In particular, the validity of the soft-pion theorems is demonstrated. It is shown that the Coulomb gauge is the most suitable choice for the study of hadronic observables involving pions [ru
Coulomb Final State Interactions for Gaussian Wave Packets
Wiedemann, Urs Achim; Heinz, Ulrich W
1999-01-01
Two-particle like-sign and unlike-sign correlations including Coulomb final state interactions are calculated for Gaussian wave packets emitted from a Gaussian source. We show that the width of the wave packets can be fully absorbed into the spatial and momentum space widths of an effective emission function for plane wave states, and that Coulomb final state interaction effects are sensitive only to the latter, but not to the wave packet width itself. Results from analytical and numerical calculations are compared with recently published work by other authors.
Coulomb corrections for interferometry analysis of expanding hadron systems
Energy Technology Data Exchange (ETDEWEB)
Sinyukov, Yu.M. [Centre National de la Recherche Scientifique, 44 - Nantes (France). Lab. de Physique Subatomique et des Technologies Associees]|[Institute for Theoretical Physics of National Acad. Sci., Kiev (Ukraine); Lednicky, R. [Centre National de la Recherche Scientifique, 44 - Nantes (France). Lab. de Physique Subatomique et des Technologies Associees]|[Institute of Physics, Prague (Czech Republic); Akkelin, S.V. [AN Ukrainskoj SSR, Kiev (Ukraine). Inst. Teoreticheskoj Fiziki; Pluta, J. [Centre National de la Recherche Scientifique, 44 - Nantes (France). Lab. de Physique Subatomique et des Technologies Associees]|[Warsaw Univ. (Poland). Inst. of Physics; Erazmus, B. [Centre National de la Recherche Scientifique, 44 - Nantes (France). Lab. de Physique Subatomique et des Technologies Associees
1998-10-01
The problem of the Coulomb corrections to the two-boson correlation functions for the systems formed in ultra-relativistic heavy ion collisions is considered for large effective volumes predicted in the realistic evolution scenarios taking into account the collective flows. A simple modification of the standard zero-distance correction (so called Gamow or Coulomb factor) has been proposed for such a kind of systems. For {pi}{sup +}{pi}{sup +} and K{sup +}K{sup +} correlation functions this approximate analytical approach is compared with the exact numerical results and a good agreement is found for typical conditions at SPS, RHIC and even LHC energies. (author) 21 refs.
Vibrational motions in rotating nuclei studied by Coulomb excitations
Energy Technology Data Exchange (ETDEWEB)
Shimizu, Yoshifumi R [Kyushu Univ., Fukuoka (Japan). Dept. of Physics
1998-03-01
As is well-known Coulomb excitation is an excellent tool to study the nuclear collective motions. Especially the vibrational excitations in rotating nuclei, which are rather difficult to access by usual heavy-ion fusion reactions, can be investigated in detail. Combined with the famous 8{pi}-Spectrometer, which was one of the best {gamma}-ray detector and had discovered some of superdeformed bands, such Coulomb excitation experiments had been carried out at Chalk River laboratory just before it`s shutdown of physics division. In this meeting some of the experimental data are presented and compared with the results of theoretical investigations. (author)
Coulomb breakup of 31Ne using finite range DWBA
International Nuclear Information System (INIS)
Shubhchintak; Chatterjee, R.
2013-01-01
Coulomb breakup of nuclei away from the valley of stability have been one of the most successful probes to unravel their structure. However, it is only recently that one is venturing into medium mass nuclei like 23 O and 31 Ne. This is a very new and exciting development which has expanded the field of light exotic nuclei to the deformed medium mass region. In this contribution, an extension of the previously proposed theory of Coulomb breakup within the post-form finite range distorted wave Born approximation to include deformation of the projectile is reported
Higher-order dynamical effects in Coulomb dissociation
International Nuclear Information System (INIS)
Esbensen, H.
1994-06-01
We study the effect of higher-order processes in Coulomb dissociation of 11 Li by numerically solving the three-dimensional time-dependent Schroedinger equation for the relative motion of a di-neutron and the 9 Li core. Comparisons are made to first-order perturbation theory and to measurements. The calculated Coulomb reacceleration effects improve the agreement with experiment, but some discrepancy remains. The effects are much smaller in the dissociation of 11 Be, and they decrease with increasing beam energy. (orig.)
Effects of Intermolecular Coupling on Excimer Formation and Singlet Fission
Mauck, Catherine McKay
compelling strategy for improving organic photovoltaic device efficiencies. The formation of triplet states through singlet fission can be characterized using femtosecond visible transient absorption spectroscopy (fsTA). However, in PDI, the triplet-triplet absorption spectrum is strongly overlapped with the ground state bleach absorption. Here, a dyad molecule where PDI is covalently attached to an apocarotene triplet acceptor is synthesized, and studied in solution aggregates and thin films with fsTA, to demonstrate that apocarotene can be used as a sensitive spectral tag for triplet formation in PDI due to triplet-triplet energy transfer from PDI to the carotenoid. The efficiency of singlet fission in DPP can be tuned by modulating the crystal packing in the solid state. By synthesizing 3,6-bis(thiophene) derivatives of DPP with a series of different sidechains, thin film DPP singlet fission is related to the crystal structure intermolecular geometries, to more precisely determine the relationship between interchromophore coupling and singlet fission rate, which will inform the design of more robust chromophores for singlet fission. Finally, the role of the dielectric environment and stabilization of charge transfer configurations and charge transfer states is explored in DPP singlet fission, through aqueous nanoparticles of 3,6-bis(phenylthiophene) with different surface area-to-volume ratios, and a covalently linked dimer of DPP in solvents of varying polarity which can undergo symmetry-breaking charge separation.
Repulsive wall potentials for He-(Ne,Ar,Kr,Xe) as inferred from differential cross sections
International Nuclear Information System (INIS)
Nitz, D.E.; Larson, J.; Swanson, K.; Wildgoose, C.
1993-01-01
We have obtained representations of the He-(Ne,Ar,Kr,Xe) ground state repulsive walls using model potentials optimized to fit published absolute differential cross section data for 500 and 1500 eV collisions. The HeNe potential, like the He 2 potentials can be fit using the semi-empirical HFD-B form constrained to cross zero at the proper internuclear separation. For the heavier atoms, this approach is unsuccessful and superior fits are obtained using only the purely repulsive V(r) - A EXP [-αr - βr 2 ] term of the HFD-B potential. Comparison of fitted potentials with previous results will be presented
Wang, Peng-Fei; Ruan, Xiao-Dong; Xu, Zhong-Bin; Fu, Xin
2015-11-01
The Hong-Strogatz (HS) model of globally coupled phase oscillators with attractive and repulsive interactions reflects the fact that each individual (oscillator) has its own attitude (attractive or repulsive) to the same environment (mean field). Previous studies on HS model focused mainly on the stable states on Ott-Antonsen (OA) manifold. In this paper, the eigenvalues of the Jacobi matrix of each fixed point in HS model are explicitly derived, with the aim to understand the local dynamics around each fixed point. Phase transitions are described according to relative population and coupling strength. Besides, the dynamics off OA manifold is studied. Supported by the National Basic Research Program of China under Grant No. 2015CB057301, the Applied Research Project of Public Welfare Technology of Zhejiang Province under Grant No. 201SC31109 and China Postdoctoral Science Foundation under Grant No. 2014M560483
Stability of a fully magnetized ferromagnetic state in repulsively interacting ultracold Fermi gases
International Nuclear Information System (INIS)
Cui Xiaoling; Zhai Hui
2010-01-01
We construct a variational wave function to study whether a fully polarized Fermi sea of ultracold atoms is energetically stable against a single spin flip. Our variational wave function contains short-range correlations at least to the same level as Gutzwiller's projected wave function. For the Hubbard lattice model and the continuum model with pure repulsive interaction, we show that a fully polarized Fermi sea is generally unstable even for infinite repulsive strength. By contrast, for a resonance model, the ferromagnetic state is possible if the s-wave scattering length is positive and sufficiently large and the system is prepared to be orthogonal to the molecular bound state. However, we cannot rule out the possibility that more exotic correlations can destabilize the ferromagnetic state.
International Nuclear Information System (INIS)
Zegrodnik, M; Bünemann, J; Spałek, J
2014-01-01
We demonstrate the stability of the spin-triplet paired s-wave (with an admixture of extended s-wave) state for the limit of purely repulsive interactions in a degenerate two-band Hubbard model of correlated fermions. The repulsive interactions limit represents an essential extension of our previous analysis (2013 New J. Phys. 15 073050), regarded here as I. We also show that near the half-filling the considered type of superconductivity can coexist with antiferromagnetism. The calculations have been carried out with the use of the so-called statistically consistent Gutzwiller approximation (SGA) for the case of a square lattice. We suggest that the electron correlations in conjunction with the Hund's rule exchange play the crucial role in stabilizing the real-space spin-triplet superconducting state. A sizable hybridization of the bands suppresses the homogeneous paired state. (paper)
Role of repulsive interactions in the interplay with missing strange resonances
Directory of Open Access Journals (Sweden)
Alba Paolo
2018-01-01
Full Text Available The standard implementation of the HRG model has been shown to be unable to describe all the available data on QCD matter. Here we show the balance of repulsive and attractive hadronic interactions on QCD thermodynamics through observables both calculated by lattice simulations and measured in experiment. Attractive interactions are mediated by resonance formation, which are here implemented through extra states predicted by the Quark Model, while repulsive interactions are modelled by means of Excluded Volume (EV effects. Informations on flavour dependent effective sizes are extracted. It is found that EV effects are present in lattice QCD thermodynamics, and are essential for a comprehensive description of higher order fluctuations of conserved charges.
International Nuclear Information System (INIS)
Lin, C.Y.; Ho, Y.K.
2010-01-01
The screening effects due to the exponential-cosine-screened Coulomb and screened Coulomb (Yukawa) potentials on photoionization processes are explored within the framework of complex coordinate rotation method. The energy levels of H and He + in both screened potentials shifted with various Debye screening lengths are presented. The photoionization cross sections illustrate the considerable screening effects on photoionization processes in low energy region. The shape resonances can be found near ionization thresholds for certain of Debye screening lengths. The relations between the appearance of resonances and the existence of quasi-bound states under shielding conditions are discussed. (authors)
The effects of attractive vs. repulsive instructional cuing on balance performance.
Kinnaird, Catherine; Lee, Jaehong; Carender, Wendy J; Kabeto, Mohammed; Martin, Bernard; Sienko, Kathleen H
2016-03-16
Torso-based vibrotactile feedback has been shown to improve postural performance during quiet and perturbed stance in healthy young and older adults and individuals with balance impairments. These systems typically include tactors distributed around the torso that are activated when body motion exceeds a predefined threshold. Users are instructed to "move away from the vibration". However, recent studies have shown that in the absence of instructions, vibrotactile stimulation induces small (~1°) non-volitional responses in the direction of its application location. It was hypothesized that an attractive cuing strategy (i.e., "move toward the vibration") could improve postural performance by leveraging this natural tendency. Eight healthy older adults participated in two non-consecutive days of computerized dynamic posturography testing while wearing a vibrotactile feedback system comprised of an inertial measurement unit and four tactors that were activated in pairs when body motion exceeded 1° anteriorly or posteriorly. A crossover design was used. On each day participants performed 24 repetitions of Sensory Organization Test condition 5 (SOT5), three repetitions each of SOT 1-6, three repetitions of the Motor Control Test, and five repetitions of the Adaptation Test. Performance metrics included A/P RMS, Time-in-zone and 95 % CI Ellipse. Performance improved with both cuing strategies but participants performed better when using repulsive cues. However, the rate of improvement was greater for attractive versus repulsive cuing. The results suggest that when the cutaneous signal is interpreted as an alarm, cognition overrides sensory information. Furthermore, although repulsive cues resulted in better performance, attractive cues may be as good, if not better, than repulsive cues following extended training.
Quantum Statistics: Is there an effective fermion repulsion or boson attraction?
Mullin, W. J.; Blaylock, G.
2003-01-01
Physicists often claim that there is an effective repulsion between fermions, implied by the Pauli principle, and a corresponding effective attraction between bosons. We examine the origins of such exchange force ideas, the validity for them, and the areas where they are highly misleading. We propose that future explanations of quantum statistics should avoid the idea of a effective force completely and replace it with more appropriate physical insights, some of which are suggested here.
International Nuclear Information System (INIS)
Zhang Yumei; Chen Hong.
1995-09-01
The effects of the repulsion between the electrons on the two-channel Kondo problem are studied by use of the bosonization technique. Following Emery and Kivelson, we define a special case in the spin density wave sector, in which the impurity spin is actually detached from the dynamics of the electrons. The model is thus mapped to a local Sine-Gordon system. For weak repulsion, the basic features of the overscreening picture are maintained. However, at sufficient strong repulsion the system is driven into the weak coupling regime, hence an overscreening-underscreening transition emerges. (author). 22 refs
Stabilization of thin liquid films by repulsive van der waals force
Li, Erqiang
2014-05-13
Using high-speed video recording of bubble rise experiments, we study the stability of thin liquid films trapped between a rising bubble and a surfactant-free liquid-liquid meniscus interface. Using different combinations of nonpolar oils and water that are all immiscible, we investigate the extent to which film stability can be predicted by attractive and repulsive van der Waals (vdW) interactions that are indicated by the relative magnitude of the refractive indices of the liquid combinations, for example, water (refractive index, n = 1.33), perfluorohexane (n = 1.23), and tetradecane (n = 1.43). We show that, when the film-forming phase was oil (perfluorohexane or tetradecane), the stability of the film could always be predicted from the sign of the vdW interaction, with a repulsive vdW force resulting in a stable film and an attractive vdW force resulting in film rupture. However, if aqueous electrolyte is the film-forming bulk phase between the rising air bubble and the upper oil phase, the film always ruptured, even when a repulsive vdW interaction was predicted. We interpret these results as supporting the hypothesis that a short-ranged hydrophobic attraction determines the stability of the thin water film formed between an air phase and a nonpolar oil phase. © 2014 American Chemical Society.
Phaco-efficiency test and re-aspiration analysis of repulsed particle in phacoemulsification.
Kim, Jae-hyung; Ko, Dong-Ah; Kim, Jae Yong; Kim, Myoung Joon; Tchah, Hungwon
2013-04-01
To measure the efficiency of phacoemulsification, we have developed a new experimental model for testing phaco-efficiency and analyzed re-aspiration of repulsed particles. Using a Kitaro wetlab system, a piece of blood agar (BA) was placed in an artificial chamber and the phacoemulsifier was placed horizontally. The settings of the phacoemulsifier (Infiniti, Alcon Laboratories) were 26 cc/min for aspiration, 350 cc/min for vacuum, and 95 cm of bottle height. The time to remove BAs was measured using Ozil 100 %, Ozil 40 %, and longitudinal 40 % of phaco power. The angle between the re-aspirated BA particles and the axis of the phacoemulsifier (re-aspiration zone, degree) was analyzed. The average time (seconds) to remove BAs was lower in the Ozil 100 % and the Ozil 40 % mode than in the longitudinal mode (0.37 ± 0.39, 0.85 ± 0.57, and 2.22 ± 1.40 respectively, P value < 0.01). Repulsion exceeding 1 mm occurred more frequently in the longitudinal mode than in the Ozil 100 % mode (100 % vs 40 %, P value = 0.01, Fisher's exact test). The average of re-aspiration zone was 25.9 ± 14.5 in the longitudinal 40 % and 54.0 ± 23.0 in the Ozil 40 % (P value = 0.016). The Ozil mode was more efficient than the longitudinal mode. In addition, the Ozil mode provided less repulsion and wider aspiration zone.
Distinct collective states due to trade-off between attractive and repulsive couplings
Sathiyadevi, K.; Chandrasekar, V. K.; Senthilkumar, D. V.; Lakshmanan, M.
2018-03-01
We investigate the effect of repulsive coupling together with an attractive coupling in a network of nonlocally coupled oscillators. To understand the complex interaction between these two couplings we introduce a control parameter in the repulsive coupling which plays a crucial role in inducing distinct complex collective patterns. In particular, we show the emergence of various cluster chimera death states through a dynamically distinct transition route, namely the oscillatory cluster state and coherent oscillation death state as a function of the repulsive coupling in the presence of the attractive coupling. In the oscillatory cluster state, the oscillators in the network are grouped into two distinct dynamical states of homogeneous and inhomogeneous oscillatory states. Further, the network of coupled oscillators follow the same transition route in the entire coupling range. Depending upon distinct coupling ranges, the system displays different number of clusters in the death state and oscillatory state. We also observe that the number of coherent domains in the oscillatory cluster state exponentially decreases with increase in coupling range and obeys a power-law decay. Additionally, we show analytical stability for observed solitary state, synchronized state, and incoherent oscillation death state.
Synchronous bursts on scale-free neuronal networks with attractive and repulsive coupling.
Directory of Open Access Journals (Sweden)
Qingyun Wang
Full Text Available This paper investigates the dependence of synchronization transitions of bursting oscillations on the information transmission delay over scale-free neuronal networks with attractive and repulsive coupling. It is shown that for both types of coupling, the delay always plays a subtle role in either promoting or impairing synchronization. In particular, depending on the inherent oscillation period of individual neurons, regions of irregular and regular propagating excitatory fronts appear intermittently as the delay increases. These delay-induced synchronization transitions are manifested as well-expressed minima in the measure for spatiotemporal synchrony. For attractive coupling, the minima appear at every integer multiple of the average oscillation period, while for the repulsive coupling, they appear at every odd multiple of the half of the average oscillation period. The obtained results are robust to the variations of the dynamics of individual neurons, the system size, and the neuronal firing type. Hence, they can be used to characterize attractively or repulsively coupled scale-free neuronal networks with delays.
Li, An Yong
2007-04-21
Upon formation of a H bond Y...H-XZ, intramolecular hyperconjugation n(Z)-->sigma*(X-H) of the proton donor plays a key role in red- and blueshift characters of H bonds and must be introduced in the concepts of hyperconjugation and rehybridization. Intermolecular hyperconjugation transfers electron density from Y to sigma*(X-H) and causes elongation and stretch frequency redshift of the X-H bond; intramolecular hyperconjugation couples with intermolecular hyperconjugation and can adjust electron density in sigma*(X-H); rehybridization causes contraction and stretch frequency blueshift of the X-H bond on complexation. The three factors--intra- and intermolecular hyperconjugations and rehybridization--determine commonly red- or blueshift of the formed H bond. A proton donor that has strong intramolecular hyperconjugation often forms blueshifted H bonds.
The iodine molecule insights into intra- and intermolecular perturbation in diatomic molecules
Lukashov, Sergey; Pravilov, Anatoly
2018-01-01
This book presents experimental and theoretical spectroscopic studies performed over the last 25 years on the iodine molecule’s excited states and their perturbations. It is going to be of interest to researchers who study intra- and intermolecular perturbations in diatomic molecules and more complex systems. The book offers a detailed treatment of the nonadiabatic perturbations of valence, ion pair and Rydberg states induced by intramolecular as well as intermolecular interactions in collisions or in weakly-bound complexes. It also provides an overview of current instrumentation and techniques as well as theoretical approaches describing intra- and intermolecular perturbations. The authors are experts in the use of spectroscopy for the study of intrinsic and collision-induced perturbations in diatomic iodine. They introduced new methods of two- and three-step optical population of the iodine ion-pair states. The iodine molecule has 23 valence states correlating with three dissociation limits, 20 so-called ...
The structure of small molecules with the Coulomb Explosion method
International Nuclear Information System (INIS)
Vager, Z.; Kanter, E.P.
1987-01-01
The content of this paper is divided into two parts: (1) achievements of the last two years in studying molecular ion structure with the aid of the newly developed Coulomb-Explosion (CE) method, and (2) the understanding of the modern CE data in terms of an invariant density of nuclear coordinates of the studied molecule
Yangian Y(sl(2)) in Coulomb problem
International Nuclear Information System (INIS)
Zhang Shengli
1998-01-01
In this paper, the Yangian Y(sl(2)) is shown existing in the system that a particle moves in Coulomb field. The generators of Y(sl(2)) are constructed in terms of the angular momentum operators and so-called Yangian Runge-Lenz vector. The selection rule and matrix element of Y(sl(2)) generators are calculated. (orig.)
Renormalizable Non-Covariant Gauges and Coulomb Gauge Limit
Baulieu, L
1999-01-01
To study ``physical'' gauges such as the Coulomb, light-cone, axial or temporal gauge, we consider ``interpolating'' gauges which interpolate linearly between a covariant gauge, such as the Feynman or Landau gauge, and a physical gauge. Lorentz breaking by the gauge-fixing term of interpolating gauges is controlled by extending the BRST method to include not only the local gauge group, but also the global Lorentz group. We enumerate the possible divergences of interpolating gauges, and show that they are renormalizable, and we show that the expectation value of physical observables is the same as in a covariant gauge. In the second part of the article we study the Coulomb-gauge as the singular limit of the Landau-Coulomb interpolating gauge. We find that unrenormalized and renormalized correlation functions are finite in this limit. We also find that there are finite two-loop diagrams of ``unphysical'' particles that are not present in formal canonical quantization in the Coulomb gauge. We verify that in the ...
Asymptotic coulombic conditions in the electron capture process
International Nuclear Information System (INIS)
Corchs, S.E.; Maidagan, J.M.; Rivarola, R.D.
1990-01-01
Several first order perturbative approximations of the transition amplitude for electronic capture are studied. Different models in which the long range Coulomb potential is represented by different internuclear dependent phases, in the initial and final wave functions, are analysed and compared. (Author). 8 refs., 2 figs
Molecular integrals for slater type orbitals using coulomb sturmians
DEFF Research Database (Denmark)
Avery, James Emil; Avery, John Scales
2014-01-01
The use of Slater type orbitals in molecular calculations is hindered by the slowness of integral evaluation. In the present paper, we introduce a method for overcoming this problem by expanding STO's in terms of Coulomb Sturmians, for which the problem of evaluating molecular integrals rapidly has...
Imaging of Coulomb-Driven Quantum Hall Edge States
Lai, Keji; Kundhikanjana, Worasom; Kelly, Michael A.; Shen, Zhi-Xun; Shabani, Javad; Shayegan, Mansour
2011-01-01
The edges of a two-dimensional electron gas (2DEG) in the quantum Hall effect (QHE) regime are divided into alternating metallic and insulating strips, with their widths determined by the energy gaps of the QHE states and the electrostatic Coulomb
Coulomb corrections to scattering length and effective radius
International Nuclear Information System (INIS)
Mur, V.D.; Kudryavtsev, A.E.; Popov, V.S.
1983-01-01
The problem considered is extraction of the ''purely nuclear'' scattering length asub(s) (corresponding to the strong potential Vsub(s) at the Coulomb interaction switched off) from the Coulomb-nuclear scattering length asub(cs), which is an object of experimental measurement. The difference between asub(s) and asub(cs) is especially large if the potential Vsub(s) has a level (real or virtual) with an energy close to zero. For this case formulae are obtained relating the scattering lengths asub(s) and asub(cs), as well as the effective radii rsub(s) and rsub(cs). The results are extended to states with arbitrary angular momenta l. It is shown that the Coulomb correction is especially large for the coefficient with ksup(2l) in the expansion of the effective radius; in this case the correction contains a large logarithm ln(asub(B)/rsub(0)). The Coulomb renormalization of other terms in the effective radius espansion is of order (rsub(0)/asub(B)), where r 0 is the nuclear force radius, asub(B) is the Bohr radius. The obtained formulae are tried on a number of model potentials Vsub(s), used in nuclear physics
Using the Screened Coulomb Potential to Illustrate the Variational Method
Zuniga, Jose; Bastida, Adolfo; Requena, Alberto
2012-01-01
The screened Coulomb potential, or Yukawa potential, is used to illustrate the application of the single and linear variational methods. The trial variational functions are expressed in terms of Slater-type functions, for which the integrals needed to carry out the variational calculations are easily evaluated in closed form. The variational…
Coulomb Interactions in Hanbury Brown-Twiss Experiments with Electrons
Shen, Kan
2009-01-01
This dissertation examines the effect of Coulomb interactions in Hanbury Brown-Twiss (HBT) type experiments with electrons. HBT experiments deal with intensity interference, which is related to the second-order correlation function of the particle field. This is an extension of the usual amplitude interference experiment, such as Young's…
Plasmon-mediated Coulomb drag between graphene waveguides
DEFF Research Database (Denmark)
Shylau, Artsem A.; Jauho, Antti-Pekka
2014-01-01
We analyze theoretically charge transport in Coulomb coupled graphene waveguides (GWGs). The GWGs are defined using antidot lattices, and the lateral geometry bypasses many technological challenges of earlier designs. The drag resistivity ρD, which is a measure of the many-particle interactions...
Coulomb energy of uniformly charged spheroidal shell systems.
Jadhao, Vikram; Yao, Zhenwei; Thomas, Creighton K; de la Cruz, Monica Olvera
2015-03-01
We provide exact expressions for the electrostatic energy of uniformly charged prolate and oblate spheroidal shells. We find that uniformly charged prolate spheroids of eccentricity greater than 0.9 have lower Coulomb energy than a sphere of the same area. For the volume-constrained case, we find that a sphere has the highest Coulomb energy among all spheroidal shells. Further, we derive the change in the Coulomb energy of a uniformly charged shell due to small, area-conserving perturbations on the spherical shape. Our perturbation calculations show that buckling-type deformations on a sphere can lower the Coulomb energy. Finally, we consider the possibility of counterion condensation on the spheroidal shell surface. We employ a Manning-Oosawa two-state model approximation to evaluate the renormalized charge and analyze the behavior of the equilibrium free energy as a function of the shell's aspect ratio for both area-constrained and volume-constrained cases. Counterion condensation is seen to favor the formation of spheroidal structures over a sphere of equal area for high values of shell volume fractions.
The Coulomb law and atomic levels in a superstrong B
Directory of Open Access Journals (Sweden)
Vysotsky M.I.
2014-04-01
Full Text Available The spectrum of atomic levels of hydrogen-like ions originating from the lowest Landau level in an external homogeneous superstrong magnetic field is obtained. The influence of the screening of the Coulomb potential on the values of critical nuclear charges is studied.
A conceivable lattice structure of the Coulomb law
International Nuclear Information System (INIS)
Papp, E.; Santilli, R.M.
1983-01-01
A few heuristic remarks on recent extensions of the Coulomb law via effective potentials and other means, which appear to admit a lattice structure in time and space whose spacing are given by the characteristic period of the elctron and its Compton wave-length, respectively, are presented
Chaos in a coulombic muffin-tin potential
International Nuclear Information System (INIS)
Brandis, S.
1994-04-01
We study the two-dimensional classical scattering dynamics by a Muffin-Tin potential with 3 Coulomb singularities. A complete symbolic dynamics for the periodic orbits is derivd. The classical trajectories are shown to be hyperbolic everywhere in phase space and to carry no conjugate points. (orig.)
WIX: statistical nuclear multifragmentation with collective expansion and Coulomb forces
Randrup, J.∅rgen
1993-10-01
By suitable augmentation of the event generator FREESCO, a code WIX has been constructed with which it is possible to simulate the statistical multifragmentation of a specified nuclear source, which may be both hollow and deformed, in the presence of a collective expansion and with the interfragment Coulomb forces included.
Generalized second-order Coulomb phase shift functions
International Nuclear Information System (INIS)
Rosendorff, S.
1982-01-01
Some specific properties and the evaluation of the generalized second-order Coulomb phase shift functions (two-dimensional integrals of four spherical cylinder functions) are discussed. The dependence on the three momenta k 1 ,k-bar,k 2 , corresponding to the final, intermediate, and initial states is illustrated
Coulomb plus strong interaction bound states - momentum space numerical solutions
International Nuclear Information System (INIS)
Heddle, D.P.; Tabakin, F.
1985-01-01
The levels and widths of hadronic atoms are calculated in momentum space using an inverse algorithm for the eigenvalue problem. The Coulomb singularity is handled by the Lande substraction method. Relativistic, nonlocal, complex hadron-nucleus interactions are incorporated as well as vacuum polarization and finite size effects. Coordinate space wavefunctions are obtained by employing a Fourier Bessel transformation. (orig.)
Semiclassical treatment of nuclear effects in Coulomb excitation
Energy Technology Data Exchange (ETDEWEB)
Canto, L F; Donangelo, R [Universidade Federal do Rio de Janeiro, RJ (Brazil). Inst. de Fisica; Rasmussen, J O; Ring, P; Stoyer, M A [Lawrence Berkeley Lab., CA (USA). Nuclear Science Div.
1990-09-27
We introduce the effects of the nuclear potential in the semiclassical Alder-Winther-de Boer method, both in the coupling matrix elements and as corrections to the Rutherford orbit. We compare our results to those of pure Coulomb excitation and to coupled-channel calculations. (orig.).
Coulomb displacement energies between analog levels for 44 < = A < = 239
International Nuclear Information System (INIS)
Antony, M.S.; Britz, J.; Pape, A.
1985-08-01
Experimental Coulomb displacement energie ΔEsub(C) between isobaric analog levels are tabulated for 44 <- A <- 239, extending recent work in which similar data were presented for 3 <- A <- 45. An overall parametrization in anti-Z/A sup(1/3) and uniform radius parameters rsub(o) are given
Structure of light neutron-rich nuclei through Coulomb dissociation
Indian Academy of Sciences (India)
The data analysis for Coulomb breakup of. ½ .... C (605 MeV/u) breaking up into a neutron and a .... direct break up model delivers a cross section of 107 mb for a ... separation energy for the last neutron in the even isotopes = 20 to 24 is 7 to 8 ...
Coulomb fission and transfer fission at heavy ion collisions
International Nuclear Information System (INIS)
Himmele, G.
1981-01-01
In the present thesis the first direct evidence of nuclear fission after inelastic scattering of heavy ions (sup(183,184)W, 152 Sm → 238 U; 184 W → 232 Th; 184 W, 232 Th → 248 Cm) is reported. Experiments which were performed at the UNILAC of the Gesellschaft fuer Schwerionenforschung in Darmstadt show the observed heavy ion induced fission possesses significant properties of the Coulomb fission. The observed dependence of the fission probability for inelastic scattering on the projectile charge proves that the nuclear fission is mediated by the electromagnetic interaction between heavy ions. This result suggests moreover a multiple Coulomb-excitation preceding the fission. Model calculations give a first indication, that the Coulomb fission proceeds mainly from the higher β phonons. In the irradiation with 184 W the fission probability of 232 Th is for all incident energies about 40% smaller that at 238 U. The target dependence of the Coulomb fission however doesn't allow, to give quantitative statements about the position and B(E2)-values of higher lying β phonons. (orig./HSI) [de
COULN, a program for evaluating negative energy Coulomb functions
International Nuclear Information System (INIS)
Noble, C.J.; Thompson, I.J.
1984-01-01
Program COULN calculates exponentially decaying Whittaker functions, Wsub(K,μ)(z) corresponding to negative energy Coulomb functions. The method employed is most appropriate for parameter ranges which commonly occur in atomic and molecular asymptotic scattering problems using a close-coupling approximation in the presence of closed channels. (orig.)
Analytic structure of many-body Coulombic wave functions
DEFF Research Database (Denmark)
Fournais, Søren; Hoffmann-Ostenhof, Maria; Hoffmann-Ostenhof, Thomas
2009-01-01
We investigate the analytic structure of solutions of non-relativistic Schrödinger equations describing Coulombic many-particle systems. We prove the following: Let ψ(x) with denote an N-electron wavefunction of such a system with one nucleus fixed at the origin. Then in a neighbourhood of a coal...
On the role of coulomb forces in atomic radiative emission
International Nuclear Information System (INIS)
Yngstroem, S.
1988-10-01
It is shown how the generalized Coulomb interaction (electric and magnetic fields of force) competes with the radiative interaction causing overall inhibition of the radiative capability of atoms and ions in a gaseous sample of matter. Basic quantum mechanical aspects of the electromagnetic interaction are discussed in a heuristic introduction followed by a more precise treatment in the formalism of relativistic quantum electrodynamics. (author)
Duffin-Kemmer-Petiau equation under a scalar Coulomb interaction
International Nuclear Information System (INIS)
Hassanabadi, H.; Yazarloo, B. H.; Zarrinkamar, S.; Rajabi, A. A.
2011-01-01
Approximate analytical solutions of a Duffin-Kemmer-Petiau (DKP) equation are obtained via an elegant ansatz after successive transformations. Apart from the wide application of the DKP equation in both cosmology and theoretical nuclear physics as well as the physical significance of the Coulomb interaction, this is particularly important as we have provided a solution to the corresponding Heun equation.
Exact solution of the N-dimensional generalized Dirac-Coulomb equation
International Nuclear Information System (INIS)
Tutik, R.S.
1992-01-01
An exact solution to the bound state problem for the N-dimensional generalized Dirac-Coulomb equation, whose potential contains both the Lorentz-vector and Lorentz-scalar terms of the Coulomb form, is obtained. 24 refs. (author)
Intermolecular interaction potentials of the methane dimer from the local density approximation
International Nuclear Information System (INIS)
Chen Xiangrong; Bai Yulin; Zhu Jun; Yang Xiangdong
2004-01-01
The intermolecular interaction potentials of methane (CH 4 ) dimer are calculated within the density functional theory in the local density approximation (LDA). It is found that the calculated potentials have minima when the intermolecular distance of CH 4 dimer is about 7.0 a.u., which is in good agreement with the experiment. The depth of the potential is 0.017 eV. The results obtained by our LDA calculations seem to agree well with those obtained by MP2, MP3, and CCSD from the Moeller-Plesset and coupled cluster methods by Tsuzuki et al. and with the experimental data
Electron induced break-up of helium. Benchmark experiments on a dynamical four-body Coulomb system
Energy Technology Data Exchange (ETDEWEB)
Duerr, M.
2006-07-05
This work presents an experimental study of fragmentation of helium by electron impact, in which absolute fully differential cross sections for single ionization, ionization-excitation and double ionization were determined. By applying a charged-particle imaging technique, the so-called 'reaction microscope', a large fraction of the final-state momentum space is covered, and the major limitations of previous experimental methods applied in this field could be overcome. Decisive modifications of the previous reaction microscope were undertaken, the most important one being the arrangement of the projectile beam parallel to the imaging-fields. For single ionization on helium an enhanced electron emission outside the projectile scattering plane is observed at both considered impact energies (102 eV and 1 keV), which is similar to the result found for ion-impact (M. Schulz et al., Nature (London) 422, 48 (2003)). The angle resolved cross sections obtained for double ionization at 105 eV impact energy reveal, that the process is dominated by the mutual repulsion of the three final-state continuum electrons. However, signatures of more complex dynamics are also observed. The data provide an ultimate benchmark for recently developed theories treating the dynamical three- and four-body Coulomb problem. (orig.)
Electron induced break-up of helium. Benchmark experiments on a dynamical four-body Coulomb system
International Nuclear Information System (INIS)
Duerr, M.
2006-01-01
This work presents an experimental study of fragmentation of helium by electron impact, in which absolute fully differential cross sections for single ionization, ionization-excitation and double ionization were determined. By applying a charged-particle imaging technique, the so-called 'reaction microscope', a large fraction of the final-state momentum space is covered, and the major limitations of previous experimental methods applied in this field could be overcome. Decisive modifications of the previous reaction microscope were undertaken, the most important one being the arrangement of the projectile beam parallel to the imaging-fields. For single ionization on helium an enhanced electron emission outside the projectile scattering plane is observed at both considered impact energies (102 eV and 1 keV), which is similar to the result found for ion-impact (M. Schulz et al., Nature (London) 422, 48 (2003)). The angle resolved cross sections obtained for double ionization at 105 eV impact energy reveal, that the process is dominated by the mutual repulsion of the three final-state continuum electrons. However, signatures of more complex dynamics are also observed. The data provide an ultimate benchmark for recently developed theories treating the dynamical three- and four-body Coulomb problem. (orig.)
Rapacioli, Mathias; Spiegelman, Fernand; Talbi, Dahbia; Mineva, Tzonka; Goursot, Annick; Heine, Thomas; Seifert, Gotthard
2009-06-01
The density functional based tight binding (DFTB) is a semiempirical method derived from the density functional theory (DFT). It inherits therefore its problems in treating van der Waals clusters. A major error comes from dispersion forces, which are poorly described by commonly used DFT functionals, but which can be accounted for by an a posteriori treatment DFT-D. This correction is used for DFTB. The self-consistent charge (SCC) DFTB is built on Mulliken charges which are known to give a poor representation of Coulombic intermolecular potential. We propose to calculate this potential using the class IV/charge model 3 definition of atomic charges. The self-consistent calculation of these charges is introduced in the SCC procedure and corresponding nuclear forces are derived. Benzene dimer is then studied as a benchmark system with this corrected DFTB (c-DFTB-D) method, but also, for comparison, with the DFT-D. Both methods give similar results and are in agreement with references calculations (CCSD(T) and symmetry adapted perturbation theory) calculations. As a first application, pyrene dimer is studied with the c-DFTB-D and DFT-D methods. For coronene clusters, only the c-DFTB-D approach is used, which finds the sandwich configurations to be more stable than the T-shaped ones.
Representation of the Coulomb Matrix Elements by Means of Appell Hypergeometric Function F 2
Bentalha, Zine el abidine
2018-06-01
Exact analytical representation for the Coulomb matrix elements by means of Appell's double series F 2 is derived. The finite sum obtained for the Appell function F 2 allows us to evaluate explicitly the matrix elements of the two-body Coulomb interaction in the lowest Landau level. An application requiring the matrix elements of Coulomb potential in quantum Hall effect regime is presented.
Study on a kind of ϕ-Laplacian Liénard equation with attractive and repulsive singularities.
Xin, Yun; Cheng, Zhibo
2017-01-01
In this paper, by application of the Manasevich-Mawhin continuation theorem, we investigate the existence of a positive periodic solution for a kind of ϕ -Laplacian singular Liénard equation with attractive and repulsive singularities.
Luongo, Orlando; Quevedo, Hernando
2018-01-01
The existence of current-time universe's acceleration is usually modeled by means of two main strategies. The first makes use of a dark energy barotropic fluid entering by hand the energy-momentum tensor of Einstein's theory. The second lies on extending the Hilbert-Einstein action giving rise to the class of extended theories of gravity. In this work, we propose a third approach, derived as an intrinsic geometrical effect of space-time, which provides repulsive regions under certain circumstances. We demonstrate that the effects of repulsive gravity naturally emerge in the field of a homogeneous and isotropic universe. To this end, we use an invariant definition of repulsive gravity based upon the behavior of the curvature eigenvalues. Moreover, we show that repulsive gravity counterbalances the standard gravitational attraction influencing both late and early times of the universe evolution. This phenomenon leads to the present speed up and to the fast expansion due to the inflationary epoch. In so doing, we are able to unify both dark energy and inflation in a single scheme, showing that the universe changes its dynamics when {\\ddot{H}\\over H}=-2 \\dot{H}, at the repulsion onset time where this condition is satisfied. Further, we argue that the spatial scalar curvature can be taken as vanishing because it does not affect at all the emergence of repulsive gravity. We check the goodness of our approach through two cosmological fits involving the most recent union 2.1 supernova compilation.
Charge-carrier dynamics and Coulomb effects in semiconductor tetrapods
International Nuclear Information System (INIS)
Mauser, Christian
2011-01-01
In this thesis the Coulomb interaction and its influence on localization effects and dynamics of charge carriers in semiconductor nanocrystals were studied. In the studied nanostructures it deals with colloidal tetrapod heterostructures, which consist of a cadmium selenide (CdSe) core and four tetraedrical grown cadmium sulfide (CdS) respectively cadmium telluride (CdTe) legs, which exhibit a type-I respectively type-II band transition. The dynamics and interactions were studied by means of photoluminescence (PL) and absorption measurements both on the ensemble and on single nanoparticles, as well as time-resolved PL and transient absorption spectroscopy. Additionally theoretical simulations of the wave-function distributions were performed, which are based on the effective-mass approximation. The special band structure of the CdSe/CdS tetrapods offers a unique possibility to study the Coulomb interaction. The flat conduction band in these heterostructures makes the electron via the Coulomb interaction sensitive to the localization position of the hole within the structure. The valence band has instead a potential maximum in the CdSe, which leads to a directed localization of the hole and the photoluminescence of the core. Polarization-resolved measurements showed hereby an anisotropy of the photoluminescence, which could be explained by means of simulations of the wave-function distribution with an asymmetry at the branching point. Charge-carrier localization occur mainly both in longer structures and in trap states in the CdS leg and can be demonstrated in form of a dual emission from a nanocrystal. The charge-carrier dynamics of electron and hole in tetrapods is indeed coupled by the Coulomb interaction, however it cannot be completely described in an exciton picture. The coupled dynamics and the Coulomb interaction were studied concerning a possible influence of the geometry in CdSe/CdS nanorods and compared with those of the tetrapods. The interactions of the
Catalytic Intermolecular Cross-Couplings of Azides and LUMO-Activated Unsaturated Acyl Azoliums
Li, Wenjun
2017-02-15
An example for the catalytic synthesis of densely functionalized 1,2,3-triazoles through a LUMO activation mode has been developed. The protocol is enabled by intermolecular cross coupling reactions of azides with in situ-generated alpha,beta-unsaturated acyl azoliums. High yields and broad scope as well as the investigation of reaction mechanism are reported.
Strong Intermolecular Exciton Couplings in Solid-State Circular Dichroism of Aryl Benzyl Sulfoxides
Czech Academy of Sciences Publication Activity Database
Padula, Daniele; Di Pietro, S.; Capozzi, M. A. M.; Cardellicchio, C.; Pescitelli, G.
2014-01-01
Roč. 26, č. 9 (2014), s. 462-470 ISSN 0899-0042 Institutional support: RVO:61388963 Keywords : organic crystals * TDDFT CD calculations * pairwise additive approximation * two-body effects * intermolecular forces in crystal lattices Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 1.886, year: 2014
Salting Effects as an Illustration of the Relative Strength of Intermolecular Forces
Person, Eric C.; Golden, Donnie R.; Royce, Brenda R.
2010-01-01
This quick and inexpensive demonstration of the salting of an alcohol out of an aqueous solution illustrates the impact of intermolecular forces on solubility using materials familiar to many students. Ammonium sulfate (fertilizer) is added to an aqueous 35% solution of isopropyl alcohol (rubbing alcohol and water) containing food coloring as a…
Studying Intermolecular Forces with a Dual Gas Chromatography and Boiling Point Investigation
Cunningham, William Patrick; Xia, Ian; Wickline, Kaitlyn; Huitron, Eric Ivan Garcia; Heo, Jun
2018-01-01
A procedure for the study of structural differences and intermolecular attraction between ethanol and 1-butanol based in laboratory work is described. This study provides comparisons of data retrieved from both a determination of boiling point and gas chromatography traces for the mixture. The methodology reported here should provide instructors…
Chen, Yu-Chun; Tang, Ping-Han; Wu, Ten-Ming
2013-11-28
By exploiting the instantaneous normal mode (INM) analysis for models of flexible molecules, we investigate intermolecular and intramolecular vibrations of water from the atomic point of view. With two flexible SPC/E models, our investigations include three aspects about their INM spectra, which are separated into the unstable, intermolecular, bending, and stretching bands. First, the O- and H-atom contributions in the four INM bands are calculated and their stable INM spectra are compared with the power spectra of the atomic velocity autocorrelation functions. The unstable and intermolecular bands of the flexible models are also compared with those of the SPC/E model of rigid molecules. Second, we formulate the inverse participation ratio (IPR) of the INMs, respectively, for the O- and H-atom and molecule. With the IPRs, the numbers of the three species participated in the INMs are estimated so that the localization characters of the INMs in each band are studied. Further, by the ratio of the IPR of the H atom to that of the O atom, we explore the number of involved OH bond per molecule participated in the INMs. Third, by classifying simulated molecules into subensembles according to the geometry of their local environments or their H-bond configurations, we examine the local-structure effects on the bending and stretching INM bands. All of our results are verified to be insensible to the definition of H-bond. Our conclusions about the intermolecular and intramolecular vibrations in water are given.
Spherical harmonic expansion of short-range screened Coulomb interactions
Energy Technology Data Exchange (ETDEWEB)
Angyan, Janos G [Laboratoire de Cristallographie et de Modelisation des Materiaux Mineraux et Biologiques, UMR 7036, CNRS-Universite Henri Poincare, BP 239, F-54506 Vandoeuvre-les-Nancy (France); Gerber, Iann [Laboratoire de Cristallographie et de Modelisation des Materiaux Mineraux et Biologiques, UMR 7036, CNRS-Universite Henri Poincare, BP 239, F-54506 Vandoeuvre-les-Nancy (France); Marsman, Martijn [Institut fuer Materialphysik and Center for Computational Materials Science, Universitaet Wien, Sensengasse 8, A-1090, Vienna (Austria)
2006-07-07
Spherical harmonic expansions of the screened Coulomb interaction kernel involving the complementary error function are required in various problems in atomic, molecular and solid state physics, like for the evaluation of Ewald-type lattice sums or for range-separated hybrid density functionals. A general analytical expression is derived for the kernel, which is non-separable in the radial variables. With the help of series expansions a separable approximate form is proposed, which is in close analogy with the conventional multipole expansion of the Coulomb kernel in spherical harmonics. The convergence behaviour of these expansions is studied and illustrated by the electrostatic potential of an elementary charge distribution formed by products of Slater-type atomic orbitals.
Nucleon-nucleon correlations and the Coulomb Displacement Energy
International Nuclear Information System (INIS)
Van Neck, D.; Waroquier, M.; Heyde, K.
1997-01-01
Coulomb Displacement Energies (CDE) are accurately known for a wide range of nuclear masses. Assuming isospin independence in the nuclear Hamiltonian, the CDE can in first instance be interpreted as the Coulomb interaction energy between the density of the excess neutrons and the proton charge density in the parent nucleus. However, when using reasonable mean-field models for the proton and neutron density one underestimates the CDE by about 8% on average. This discrepancy is known as the Nolen-Schiffer anomaly, and various explanations have been put forward in the past. In this work the role of nucleon-nucleon correlations are re-examined. Calculations for the pair density functions in various nuclei are presented. Preliminary results suggest that the modifications to the mean-field pair density functions cause an enhancement of the CDE in the order of 4%, which is rather A-independent. (author)
Prospects for coherently driven nuclear radiation by Coulomb excitation
International Nuclear Information System (INIS)
Karamyan, S.A.; Carroll, J.J.
2006-01-01
Possible experiments are discussed in which the Coulomb excitation of nuclear isomers would be followed by sequential energy release. The possibility of the coherent Coulomb excitation of nuclei ensconced in a crystal by channeled relativistic heavy projectiles is considered. The phase shift between neighbor-nuclei excitations can be identical to the photon phase shift for emission in forward direction. Thus, the elementary string of atoms can radiate coherently with emission of characteristic nuclear γ rays and the intensity of the radiation could be increased due to the summation of amplitudes. The Moessbauer conditions should be important for this new type of collective radiation that could be promising in the context of the γ-lasing problem
Static and dynamic properties of two-dimensional Coulomb clusters.
Ash, Biswarup; Chakrabarti, J; Ghosal, Amit
2017-10-01
We study the temperature dependence of static and dynamic responses of Coulomb interacting particles in two-dimensional confinements across the crossover from solid- to liquid-like behaviors. While static correlations that investigate the translational and bond orientational order in the confinements show the footprints of hexatic-like phase at low temperatures, dynamics of the particles slow down considerably in this phase, reminiscent of a supercooled liquid. Using density correlations, we probe long-lived heterogeneities arising from the interplay of the irregularity in the confinement and long-range Coulomb interactions. The relaxation at multiple time scales show stretched-exponential decay of spatial correlations in irregular traps. Temperature dependence of characteristic time scales, depicting the structural relaxation of the system, show striking similarities with those observed for the glassy systems, indicating that some of the key signatures of supercooled liquids emerge in confinements with lower spatial symmetries.
Stability of Dirac Liquids with Strong Coulomb Interaction.
Tupitsyn, Igor S; Prokof'ev, Nikolay V
2017-01-13
We develop and apply the diagrammatic Monte Carlo technique to address the problem of the stability of the Dirac liquid state (in a graphene-type system) against the strong long-range part of the Coulomb interaction. So far, all attempts to deal with this problem in the field-theoretical framework were limited either to perturbative or random phase approximation and functional renormalization group treatments, with diametrically opposite conclusions. Our calculations aim at the approximation-free solution with controlled accuracy by computing vertex corrections from higher-order skeleton diagrams and establishing the renormalization group flow of the effective Coulomb coupling constant. We unambiguously show that with increasing the system size L (up to ln(L)∼40), the coupling constant always flows towards zero; i.e., the two-dimensional Dirac liquid is an asymptotically free T=0 state with divergent Fermi velocity.
Coulomb effects in low-energy nuclear fragmentation
Wilson, John W.; Chun, Sang Y.; Badavi, Francis F.; John, Sarah
1993-01-01
Early versions of the Langley nuclear fragmentation code NUCFRAG (and a publicly released version called HZEFRG1) assumed straight-line trajectories throughout the interaction. As a consequence, NUCFRAG and HZEFRG1 give unrealistic cross sections for large mass removal from the projectile and target at low energies. A correction for the distortion of the trajectory by the nuclear Coulomb fields is used to derive fragmentation cross sections. A simple energy-loss term is applied to estimate the energy downshifts that greatly alter the Coulomb trajectory at low energy. The results, which are far more realistic than prior versions of the code, should provide the data base for future transport calculations. The systematic behavior of charge-removal cross sections compares favorably with results from low-energy experiments.
A Coulomb collision algorithm for weighted particle simulations
Miller, Ronald H.; Combi, Michael R.
1994-01-01
A binary Coulomb collision algorithm is developed for weighted particle simulations employing Monte Carlo techniques. Charged particles within a given spatial grid cell are pair-wise scattered, explicitly conserving momentum and implicitly conserving energy. A similar algorithm developed by Takizuka and Abe (1977) conserves momentum and energy provided the particles are unweighted (each particle representing equal fractions of the total particle density). If applied as is to simulations incorporating weighted particles, the plasma temperatures equilibrate to an incorrect temperature, as compared to theory. Using the appropriate pairing statistics, a Coulomb collision algorithm is developed for weighted particles. The algorithm conserves energy and momentum and produces the appropriate relaxation time scales as compared to theoretical predictions. Such an algorithm is necessary for future work studying self-consistent multi-species kinetic transport.
Electronic cooling via interlayer Coulomb coupling in multilayer epitaxial graphene
Mihnev, Momchil T.; Tolsma, John R.; Divin, Charles J.; Sun, Dong; Asgari, Reza; Polini, Marco; Berger, Claire; de Heer, Walt A.; MacDonald, Allan H.; Norris, Theodore B.
2015-01-01
In van der Waals bonded or rotationally disordered multilayer stacks of two-dimensional (2D) materials, the electronic states remain tightly confined within individual 2D layers. As a result, electron–phonon interactions occur primarily within layers and interlayer electrical conductivities are low. In addition, strong covalent in-plane intralayer bonding combined with weak van der Waals interlayer bonding results in weak phonon-mediated thermal coupling between the layers. We demonstrate here, however, that Coulomb interactions between electrons in different layers of multilayer epitaxial graphene provide an important mechanism for interlayer thermal transport, even though all electronic states are strongly confined within individual 2D layers. This effect is manifested in the relaxation dynamics of hot carriers in ultrafast time-resolved terahertz spectroscopy. We develop a theory of interlayer Coulomb coupling containing no free parameters that accounts for the experimentally observed trends in hot-carrier dynamics as temperature and the number of layers is varied. PMID:26399955
Coulomb artifacts and bottomonium hyperfine splitting in lattice NRQCD
Energy Technology Data Exchange (ETDEWEB)
Liu, T. [Department of Physics, University of Alberta,11455 Saskatchewan Drive, Edmonton, Alberta T6G 2J1 (Canada); Penin, A.A. [Department of Physics, University of Alberta,11455 Saskatchewan Drive, Edmonton, Alberta T6G 2J1 (Canada); Institut für Theoretische Teilchenphysik, Karlsruhe Institute of Technology,Wolfgang-Gaede-Strasse 1, 76128 Karlsruhe (Germany); Rayyan, A. [Department of Physics, University of Alberta,11455 Saskatchewan Drive, Edmonton, Alberta T6G 2J1 (Canada)
2017-02-16
We study the role of the lattice artifacts associated with the Coulomb binding effects in the analysis of the heavy quarkonium within lattice NRQCD. We find that a “naïve” perturbative matching generates spurious linear Coulomb artifacts, which result in a large systematic error in the lattice predictions for the heavy quarkonium spectrum. This effect is responsible, in particular, for the discrepancy between the recent determinations of the bottomonium hyperfine splitting in the radiatively improved lattice NRQCD (DOI: 10.1103/PhysRevD.92.054502; Arxiv:1309.5797). We show that the correct matching procedure which provides full control over discretization errors is based on the asymptotic expansion of the lattice theory about the continuum limit, which gives M{sub Υ(1S)}−M{sub η{sub b(1S)}}=52.9±5.5 MeV (DOI: 10.1103/PhysRevD.92.054502).
Coulomb excitation of atoms by fast multicharged ions
International Nuclear Information System (INIS)
Yudin, G.L.
1980-01-01
Investigated is coulomb eXcitation of discrete levels of a hydrogen-like atom by a fast multicharged ion. Obtained are dependences of probabilities of channels 1S→nS and 1S→nP on the sight parameter in the zero order of sudden excitation theory. 1S-2S transition is considered in detail. Carried out are calculations for excitation of the hydrogen atom by the wholy bare carbon atom. It is shown, that at low values of excitation pr.ocess parameter eta excitation probability is a monotonously decreasing function of the impact parameter. With the growth of eta the situation is changed, and at low impact parameters the probability of 1S-2S transition is decreased. At high impact parameters approximation of sudden excitations is unacceptable, here lagging of coulomb interaction is essential
Simulation of Coulomb interaction effects in electron sources
International Nuclear Information System (INIS)
Rouse, John; Zhu Xieqing; Liu Haoning; Munro, Eric
2011-01-01
Over many years, we have developed electron source simulation software that has been used widely in the electron optics community to aid the development of rotationally symmetric electron and ion guns. The simulation includes the modelling of cathode emission and the effects of volumetric space charge. In the present paper we describe the existing software and explain how we have extended this software to include the effects of discrete Coulomb interactions between the electrons as they travel from the cathode surface to the exit of the gun. In the paper, we will describe the numerical models we have employed, the techniques we have used to maximize the speed of the Coulomb force computation and present several illustrative examples of cases analyzed using the new software, including thermal field emitters, LaB 6 guns and flat dispenser-type cathodes.
Coulomb and Nuclear Breakup at Low Energies: Scaling Laws
Directory of Open Access Journals (Sweden)
Hussein M. S.
2013-12-01
Full Text Available We report on a recent work on the low-energy behavior of the breakup cross section in so far as it has important role in the fusion of weakly bound and halo nuclei at near-barrier energies. We assess the way the nuclear component of this cross section scales with the target mass. In complete accord with previous finding at higher energies we verify that the low energy behavior of the breakup cross section for a given projectile and relative center of mass energy with respect to the Coulomb barrier height scales as the cubic root of the mass number of the target. Surprisingly we find that the Coulomb component of the breakup cross section at these low energies also obeys scaling, but with a linear dependence on the target charge. Our findings are important when planning for experiments involving these exotic nuclei.
An entropic form for NLFP with coulombic-like potential
International Nuclear Information System (INIS)
Grassi, A.
2012-01-01
Here it is proposed a new entropy form for which it is possible to obtain a stationary solution of the Non-Linear Fokker–Planck equation (NLFP) with coulombic-like potentials. The general properties of this new entropy form are shown and the results are compared with those obtained by other entropy forms. Finally, the behavior of the stationary solution in presence of two point charges is also shown. -- Highlights: ► In this Letter we have proposed a new form of entropy. ► Starting from this new entropy form a Non-Linear Fokker–Planck equation has been derived. ► The stationary solution of the Non-Linear Fokker–Planck equation is obtained by using an external coulombic-like potential. ► A comparison with other forms of entropies has been proposed in the case of a single or two point charges.
International Nuclear Information System (INIS)
Macdonald, E.W.; Shotter, A.C.; Branford, D.; Rahighi, J.; Davinson, T.; Davis, N.J.
1992-01-01
Kinematically complete data is presented on the break-up reaction 120 Sn( 9 Be, 8 Be g.s +n) 120 Sn g.s. at E beam =90 MeV for several scattering angles inside the grazing angle. These data are compared with the predictions of a Coulomb break-up model. It is shown that the data can be understood in terms of the Coulomb model provided some account is taken of the interactions of the break-up fragments with the target. Analysis of the 9 Be break-up data, using radio-isotope measurements of the 9 Be(γ, n) cross-section, indicates that for this photo-disintegration reaction there is probably a significant direct component to the threshold cross-section, in addition to a threshold resonance at 1.69 MeV. (orig.)
Coulomb oscillations in three-layer graphene nanostructures
International Nuclear Information System (INIS)
Guettinger, J; Stampfer, C; Molitor, F; Graf, D; Ihn, T; Ensslin, K
2008-01-01
We present transport measurements on a tunable three-layer graphene single electron transistor (SET). The device consists of an etched three-layer graphene flake with two narrow constrictions separating the island from source and drain contacts. Three lateral graphene gates are used to electrostatically tune the device. An individual three-layer graphene constriction has been investigated separately showing a transport gap near the charge neutrality point. The graphene tunneling barriers show a strongly nonmonotonic coupling as a function of gate voltage indicating the presence of localized states in the constrictions. We show Coulomb oscillations and Coulomb diamond measurements proving the functionality of the graphene SET. A charging energy of ∼0.6 meV is extracted.
Is the ground state of Yang-Mills theory Coulombic?
Heinzl, T.; Ilderton, A.; Langfeld, K.; Lavelle, M.; Lutz, W.; McMullan, D.
2008-08-01
We study trial states modelling the heavy quark-antiquark ground state in SU(2) Yang-Mills theory. A state describing the flux tube between quarks as a thin string of glue is found to be a poor description of the continuum ground state; the infinitesimal thickness of the string leads to UV artifacts which suppress the overlap with the ground state. Contrastingly, a state which surrounds the quarks with non-Abelian Coulomb fields is found to have a good overlap with the ground state for all charge separations. In fact, the overlap increases as the lattice regulator is removed. This opens up the possibility that the Coulomb state is the true ground state in the continuum limit.
An infinite family of superintegrable deformations of the Coulomb potential
International Nuclear Information System (INIS)
Post, Sarah; Winternitz, Pavel
2010-01-01
We introduce a new family of Hamiltonians with a deformed Kepler-Coulomb potential dependent on an indexing parameter k. We show that this family is superintegrable for all rational k and compute the classical trajectories and quantum wavefunctions. We show that this system is related, via coupling constant metamorphosis, to a family of superintegrable deformations of the harmonic oscillator given by Tremblay, Turbiner and Winternitz. In doing so, we prove that all Hamiltonians with an oscillator term are related by coupling constant metamorphosis to systems with a Kepler-Coulomb term, both on Euclidean space. We also look at the effect of the transformation on the integrals of the motion, the classical trajectories and the wavefunctions, and give the transformed integrals explicitly for the classical system. (fast track communication)
An infinite family of superintegrable deformations of the Coulomb potential
Energy Technology Data Exchange (ETDEWEB)
Post, Sarah [Centre de recherches mathematiques, CP 6128 succ. Centre-Ville, Montreal, QC H3C 3J7 (Canada); Winternitz, Pavel, E-mail: post@CRM.UMontreal.C, E-mail: wintern@CRM.UMontreal.C [Centre de recherches mathematiques and Departement de mathematiques et de statistique, CP 6128 succ. Centre-Ville, Montreal, QC H3C 3J7 (Canada)
2010-06-04
We introduce a new family of Hamiltonians with a deformed Kepler-Coulomb potential dependent on an indexing parameter k. We show that this family is superintegrable for all rational k and compute the classical trajectories and quantum wavefunctions. We show that this system is related, via coupling constant metamorphosis, to a family of superintegrable deformations of the harmonic oscillator given by Tremblay, Turbiner and Winternitz. In doing so, we prove that all Hamiltonians with an oscillator term are related by coupling constant metamorphosis to systems with a Kepler-Coulomb term, both on Euclidean space. We also look at the effect of the transformation on the integrals of the motion, the classical trajectories and the wavefunctions, and give the transformed integrals explicitly for the classical system. (fast track communication)
Unsafe Coulomb excitation of $^{240-244}Pu$
Wiedenhöver, I; Hackman, L; Ahmad, I; Greene, J P; Amro, H; Carpenter, M P; Nisius, D T; Reiter, P; Lauritsen, T; Lister, C J; Khoo, T L; Siem, S; Cizewski, J A; Seweryniak, D; Uusitalo, J; Macchiavelli, A O; Chowdhury, P; Seabury, E H; Cline, D; Wu, C Y
1999-01-01
The high spin states of /sup 240/Pu and /sup 244/Pu have been investigated with GAMMASPHERE at ATLAS, using Coulomb excitation with a /sup 208/Pb beam at energies above the Coulomb barrier. Data on a transfer channel leading to /sup 242/Pu were obtained as well. In the case of /sup 244/Pu, the yrast band was extended to 34h(cross), revealing the completed pi i/sub 13/2/ alignment, a "first" for actinide nuclei. The yrast sequence of /sup 242/Pu was also extended to higher spin and a similar backbend was delineated. In contrast, while the ground state band of /sup 240/Pu was measured up to the highest rotational frequencies ever reported in the actinide region (~300 keV), no sign of particle alignment was observed. (11 refs).
Sankararaman, Sumithra; Menon, Gautam I; Sunil Kumar, P B
2002-09-01
We study the linearized hydrodynamics of a two-component fluid membrane near a repulsive wall, using a model that incorporates curvature-concentration coupling as well as hydrodynamic interactions. This model is a simplified version of a recently proposed one [J.-B. Manneville et al., Phys. Rev. E 64, 021908 (2001)] for nonequilibrium force centers embedded in fluid membranes, such as light-activated bacteriorhodopsin pumps incorporated in phospholipid egg phosphatidyl choline (EPC) bilayers. The pump-membrane system is modeled as an impermeable, two-component bilayer fluid membrane in the presence of an ambient solvent, in which one component, representing active pumps, is described in terms of force dipoles displaced with respect to the bilayer midpoint. We first discuss the case in which such pumps are rendered inactive, computing the mode structure in the bulk as well as the modification of hydrodynamic properties by the presence of a nearby wall. These results should apply, more generally, to equilibrium fluid membranes comprised of two components, in which the effects of curvature-concentration coupling are significant, above the threshold for phase separation. We then discuss the fluctuations and mode structure in the steady state of active two-component membranes near a repulsive wall. We find that proximity to the wall smoothens membrane height fluctuations in the stable regime, resulting in a logarithmic scaling of the roughness even for initially tensionless membranes. This explicitly nonequilibrium result is a consequence of the incorporation of curvature-concentration coupling in our hydrodynamic treatment. This result also indicates that earlier scaling arguments which obtained an increase in the roughness of active membranes near repulsive walls upon neglecting the role played by such couplings may need to be reevaluated.
Unified approach to probing Coulomb effects in tunnel ionization for any ellipticity of laser light.
Landsman, A S; Hofmann, C; Pfeiffer, A N; Cirelli, C; Keller, U
2013-12-27
We present experimental data that show significant deviations from theoretical predictions for the location of the center of the electron momenta distribution at low values of ellipticity ε of laser light. We show that these deviations are caused by significant Coulomb focusing along the minor axis of polarization, something that is normally neglected in the analysis of electron dynamics, even in cases where the Coulomb correction is otherwise taken into account. By investigating ellipticity-resolved electron momenta distributions in the plane of polarization, we show that Coulomb focusing predominates at lower values of ellipticity of laser light, while Coulomb asymmetry becomes important at higher values, showing that these two complementary phenomena can be used to probe long-range Coulomb interaction at all polarizations of laser light. Our results suggest that both the breakdown of Coulomb focusing and the onset of Coulomb asymmetry are linked to the disappearance of Rydberg states with increasing ellipticity.
On Coulomb collisions in bi-Maxwellian plasmas
Czech Academy of Sciences Publication Activity Database
Hellinger, Petr; Trávníček, Pavel M.
2009-01-01
Roč. 16, č. 5 (2009), 054501/1-054501/4 ISSN 1070-664X R&D Projects: GA AV ČR IAA300420702 Institutional research plan: CEZ:AV0Z30420517; CEZ:AV0Z10030501 Keywords : Coulomb collisions * transport coefficients * bi-Maxwellian distribution function Subject RIV: BL - Plasma and Gas Discharge Physics Impact factor: 2.475, year: 2009 http://link.aip.org/link/?PHPAEN/16/054501/1
Core polarization and the Coulomb energy difference of mirror nuclei
International Nuclear Information System (INIS)
Barroso, A.
1977-01-01
The effect of the core polarization on the Coulomb displacement energies of mirror nuclei with a LS doubly closed shell plus or minus one nucleon is studied. Using the Kallio-Kolltveit interaction it is found that the first-order configuration mixing including 2p-2h core excitations is too small and sometimes of the wrong sign to explain the Nolen-Schiffer anomaly. (Auth.)
Extended Kepler–Coulomb quantum superintegrable systems in three dimensions
International Nuclear Information System (INIS)
Kalnins, E G; Kress, J M; Miller, W Jr
2013-01-01
The quantum Kepler–Coulomb system in three dimensions is well known to be second order superintegrable, with a symmetry algebra that closes polynomially under commutators. This polynomial closure is also typical for second order superintegrable systems in 2D and for second order systems in 3D with nondegenerate (four-parameter) potentials. However, the degenerate three-parameter potential for the 3D Kepler–Coulomb system (also second order superintegrable) is an exception, as its symmetry algebra does not close polynomially. The 3D four-parameter potential for the extended Kepler–Coulomb system is not even second order superintegrable, but Verrier and Evans (2008 J. Math. Phys. 49 022902) showed it was fourth order superintegrable, and Tanoudis and Daskaloyannis (2011 arXiv:11020397v1) showed that, if a second fourth order symmetry is added to the generators, the symmetry algebra closes polynomially. Here, based on the Tremblay, Turbiner and Winternitz construction, we consider an infinite class of quantum extended Kepler–Coulomb three- and four-parameter systems indexed by a pair of rational numbers (k 1 , k 2 ) and reducing to the usual systems when k 1 = k 2 = 1. We show these systems to be superintegrable of arbitrarily high order and determine the structure of their symmetry algebras. We demonstrate that the symmetry algebras close algebraically; only for systems admitting extra discrete symmetries is polynomial closure achieved. Underlying the structure theory is the existence of raising and lowering operators, not themselves symmetry operators or even defined independent of basis, that can be employed to construct the symmetry operators and their structure relations. (paper)
Coulomb ionization of inner shells by heavy charged particles
International Nuclear Information System (INIS)
Lapicki, G.
1975-01-01
The theory of inner-shell Coulomb ionization by heavy charged particles, of atomic number small compared to the target atomic number, is developed through the extension of work by Brandt and his coworkers for K shells to L shells. In slow collisions relative to the characteristic times of the inner shell electrons, the quantum-mechanical predictions in the plane-wave Born approximation (PWBA) can exceed experimental cross sections by orders of magnitude. The effects of the perturbation of the atom by and the Coulomb deflection of the particle during collisions are included in the theory. The perturbed atomic states amount to a binding of the inner-shell electrons to the moving particle in slow collisions, and to a polarization of the inner shells by the particle passing at large impact parameters during nonadiabatic collisions. These effects, not contained in the PWBA, are treated in the framework of the perturbed stationary state (PSS) theory for slow collisions and in terms of the harmonic oscillator model of Ashley, Brandt, and Ritchie for stopping powers in fast collisions. The effect of the Coulomb deflection of the particle in the field of the target nucleus on the cross sections is incorporated in the semiclassical approximation of Bang and Hansteen. Except for the lightest target atoms, the contribution of electron capture by the particles to inner-shell ionizations is shown to be negligible. The theory as developed earlier for the K shell, and here for L shells, agrees well with the vast body of experimental data on inner-shell Coulomb ionization by heavy charged particles
Coulomb reacceleration as a clock for nuclear reactions -- II
International Nuclear Information System (INIS)
Bertulani, C.A.; Bertsch, G.F.
1994-01-01
Reacceleration effects in the Coulomb breakup of nuclei are modeled with the two-dimensional time-dependent Schroedinger equation, extending a previous one-dimensional study. The present model better describes the individual contributions of longitudinal and transverse forces to the breakup and reacceleration. Reacceleration effects are found to preserve a strong memory of the pre-breakup phase of the reaction, as was concluded with the one-dimensional model
Space charge-limited emission studies using Coulomb's Law
Carr, Christopher G.
2004-01-01
Approved for Public Release; Distribution is Unlimited Child and Langmuir introduced a solution to space charge limited emission in an infinite area planar diode. The solution follows from starting with Poisson's equation, and requires solving a non-linear differential equation. This approach can also be applied to cylindrical and spherical geometries, but only for one-dimensional cases. By approaching the problem from Coulomb's law and applying the effect of an assumed charge distribution...
Existence for viscoplastic contact with Coulomb friction problems
Directory of Open Access Journals (Sweden)
Amina Amassad
2002-01-01
frictional contact between an elastic-viscoplastic body and a rigid obstacle. We model the frictional contact both by a Tresca's friction law and a regularized Coulomb's law. We assume, in a first part, that the contact is bilateral and that no separation takes place. In a second part, we consider the Signorini unilateral contact conditions. Proofs are based on a time-discretization method, Banach and Schauder fixed point theorems.
Probing Minicharged Particles with Tests of Coulomb's Law
International Nuclear Information System (INIS)
Jaeckel, Joerg
2009-01-01
Minicharged particles arise in many extensions of the standard model. Their contribution to the vacuum polarization modifies Coulomb's law via the Uehling potential. In this Letter, we argue that tests for electromagnetic fifth forces can therefore be a sensitive probe of minicharged particles. In the low mass range < or approx. μeV existing constraints from Cavendish type experiments provide the best model-independent bounds on minicharged particles.
Many-Body Coulomb Gauge Exotic and Charmed Hybrids
Llanes-Estrada, Felipe J.; Cotanch, Stephen R.
2000-01-01
Utilizing a QCD Coulomb gauge Hamiltonian with linear confinement specified by lattice, we report a relativistic many-body calculation for the light exotic and charmed hybrid mesons. The Hamiltonian successfully describes both quark and gluon sectors, with vacuum and quasiparticle properties generated by a BCS transformation and more elaborate TDA and RPA diagonalizations for the meson ($q\\bar{q}$) and glueball ($gg$) masses. Hybrids entail a computationally intense relativistic three quasipa...
Superheavy Elements and Beyond: - Supercritical Coulomb Field and Giant Quasiatoms
International Nuclear Information System (INIS)
Greiner, Walter
2007-01-01
The status of theory of Superheavy Nuclei is reviewed. Based with the Two-Center Shell Model Potential Energy Surfaces are calculated. Fusion, fission, quasifission and other processes are discussed. I particular time-delay during the formation of giant quasi atoms/molecules will be crucial for observing the change of the Dirac vacuum in supercritical Coulomb fields by spontaneous positron emission. It will be shown how the various phenomena are interrelated
An Algorithm for Computing Screened Coulomb Scattering in Geant4
Mendenhall, Marcus H.; Weller, Robert A.
2004-01-01
An algorithm has been developed for the Geant4 Monte-Carlo package for the efficient computation of screened Coulomb interatomic scattering. It explicitly integrates the classical equations of motion for scattering events, resulting in precise tracking of both the projectile and the recoil target nucleus. The algorithm permits the user to plug in an arbitrary screening function, such as Lens-Jensen screening, which is good for backscattering calculations, or Ziegler-Biersack-Littmark screenin...
Coulomb two-body problem with internal structure
International Nuclear Information System (INIS)
Kuperin, Yu.A.; Makarov, K.A.; Mel'nikov, Yu.B.
1988-01-01
The methods of the theory of extensions to an enlarged Hilbert space are used to construct a model of the interaction of the external (Coulomb) and internal (quark) channels in the two-body problem. The mutual influence of the spectra of the corresponding channel Hamiltonians is studied: it leads, in particular, to a rearrangement of the spectra of hadronic atoms. An explicit representation is obtained for the S matrix, and its singularities on the energy shell are studied