Random model of two-level atoms interacting with electromagnetic field
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Kireev, A.N.; Meleshko, A.N.
1983-12-01
A phase transition has been studied in a random system of two-level atoms interacting with an electromagnetic field. It is shown that superradiation can arise when there is short-range order in a spin-subsystem. The existence of long-range order is irrelevant for this phase transition
Information Entropy Squeezing of a Two-Level Atom Interacting with Two-Mode Coherent Fields
Institute of Scientific and Technical Information of China (English)
LIU Xiao-Juan; FANG Mao-Fa
2004-01-01
From a quantum information point of view we investigate the entropy squeezing properties for a two-level atom interacting with the two-mode coherent fields via the two-photon transition. We discuss the influences of the initial state of the system on the atomic information entropy squeezing. Our results show that the squeezed component number,squeezed direction, and time of the information entropy squeezing can be controlled by choosing atomic distribution angle,the relative phase between the atom and the two-mode field, and the difference of the average photon number of the two field modes, respectively. Quantum information entropy is a remarkable precision measure for the atomic squeezing.
Nonlinear Jaynes–Cummings model for two interacting two-level atoms
International Nuclear Information System (INIS)
Santos-Sánchez, O de los; González-Gutiérrez, C; Récamier, J
2016-01-01
In this work we examine a nonlinear version of the Jaynes–Cummings model for two identical two-level atoms allowing for Ising-like and dipole–dipole interplays between them. The model is said to be nonlinear in the sense that it can incorporate both a general intensity-dependent interaction between the atomic system and the cavity field and/or the presence of a nonlinear medium inside the cavity. As an example, we consider a particular type of atom-field coupling based upon the so-called Buck–Sukumar model and a lossless Kerr-like cavity. We describe the possible effects of such features on the evolution of some quantities of current interest, such as atomic excitation, purity, concurrence, the entropy of the field and the evolution of the latter in phase space. (paper)
Entanglement for a Bimodal Cavity Field Interacting with a Two-Level Atom
International Nuclear Information System (INIS)
Liu Jia; Chen Ziyu; Bu Shenping; Zhang Guofeng
2009-01-01
Negativity has been adopted to investigate the entanglement in a system composed of a two-level atom and a two-mode cavity field. Effects of Kerr-like medium and the number of photon inside the cavity on the entanglement are studied. Our results show that atomic initial state must be superposed, so that the two cavity field modes can be entangled. Moreover, we also conclude that the number of photon in the two cavity mode should be equal. The interaction between modes, namely, the Kerr effect, has a significant negative contribution. Note that the atom frequency and the cavity frequency have an indistinguishable effect, so a corresponding approximation has been made in this article. These results may be useful for quantum information in optics systems.
Entanglement Criteria of Two Two-Level Atoms Interacting with Two Coupled Modes
Baghshahi, Hamid Reza; Tavassoly, Mohammad Kazem; Faghihi, Mohammad Javad
2015-08-01
In this paper, we study the interaction between two two-level atoms and two coupled modes of a quantized radiation field in the form of parametric frequency converter injecting within an optical cavity enclosed by a medium with Kerr nonlinearity. It is demonstrated that, by applying the Bogoliubov-Valatin canonical transformation, the introduced model is reduced to a well-known form of the generalized Jaynes-Cummings model. Then, under particular initial conditions for the atoms (in a coherent superposition of its ground and upper states) and the fields (in a standard coherent state) which may be prepared, the time evolution of state vector of the entire system is analytically evaluated. In order to understand the degree of entanglement between subsystems (atom-field and atom-atom), the dynamics of entanglement through different measures, namely, von Neumann reduced entropy, concurrence and negativity is evaluated. In each case, the effects of Kerr nonlinearity and detuning parameter on the above measures are numerically analyzed, in detail. It is illustrated that the amount of entanglement can be tuned by choosing the evolved parameters, appropriately.
Abo-Kahla, D. A. M.; Abdel-Aty, M.; Farouk, A.
2018-05-01
An atom with only two energy eigenvalues is described by a two-dimensional state space spanned by the two energy eigenstates is called a two-level atom. We consider the interaction between a two-level atom system with a constant velocity. An analytic solution of the systems which interacts with a quantized field is provided. Furthermore, the significant effect of the temperature on the atomic inversion, the purity and the information entropy are discussed in case of the initial state either an exited state or a maximally mixed state. Additionally, the effect of the half wavelengths number of the field-mode is investigated.
International Nuclear Information System (INIS)
Sandulescu, A.; Stefanescu, E.
1987-07-01
On the basis of Lindblad theory of open quantum systems we obtain new optical equations for the system of two-level atom interacting with a single mode of the electromagnetic field. The conventional Block equations in a generalized form with field phases are obtained in the hypothesis that all the terms are slowly varying in the rotating frame.(authors)
Wang, Jing; Tian, Xue-Dong; Liu, Yi-Mou; Cui, Cui-Li; Wu, Jin-Hui
2018-06-01
We investigate the stationary entanglement properties in a hybrid system consisting of an optical cavity, a mechanical resonator, a charged object, and an atomic ensemble. Numerical results show that this hybrid system exhibits three kinds of controllable bipartite entanglements in an experimentally accessible parameter regime with the help of the charged object. More importantly, it is viable to enhance on demand each bipartite entanglement at the expense of reducing others by modulating the Coulomb coupling strength. Last but not least, these bipartite entanglements seem more robust against on the environmental temperature for the positive Coulomb interaction.
International Nuclear Information System (INIS)
Ray, Aditi
2004-01-01
The dynamics of a two-level atom driven by a single laser beam and three-level atom (Lambda configuration) irradiated by two laser beams are studied taking into account of the quantized center-of-mass motion of the atom. It is shown that the trapped atom system under appropriate resonance condition exhibits the large time-scale revivals when the index of the vibrational sideband responsible for the atomic electronic transition is greater than unity. The revival times are shown to be dependent on the initial number of vibrational excitations and the magnitude of the Lamb-Dicke parameter. The sub-Poissonian statistics in vibrational quantum number is observed at certain time intervals. The minimum time of interaction for which the squeezed states of motional quadrature are generated is found to be decreasing with the increase in the Lamb-Dicke parameter
Valizadeh, Sh.; Tavassoly, M. K.; Yazdanpanah, N.
2018-02-01
In this paper the interaction between two two-level atoms with a single-mode quantized field is studied. To achieve exact information about the physical properties of the system, one should take into account various sources of dissipation such as photon leakage of cavity, spontaneous emission rate of atoms, internal thermal radiation of cavity and dipole-dipole interaction between the two atoms. In order to achieve the desired goals, we obtain the time evolution of the associated density operator by solving the time-dependent Lindblad equation corresponding to the system. Then, we evaluate the temporal behavior of total population inversion and quantum entanglement between the evolved subsystems, numerically. We clearly show that how the damping parameters affect on the dynamics of considered properties. By analyzing the numerical results, we observe that increasing each of the damping sources leads to faster decay of total population inversion. Also, it is observed that, after starting the interaction, the entanglement between one atom with other parts of the system as well as the entanglement between "atom-atom" subsystem and the "field", tend to some constant values very soon. Moreover, the stable values of entanglement are reduced via increasing the damping factor Γ A (ΓA^{(1)} = ΓA^{(2)} = ΓA ) where ΓA is the spontaneous emission rate of each atom. In addition, we find that by increasing the thermal photons, the entropies (entanglements) tend sooner to some increased stable values. Accordingly, we study the atom-atom entanglement by evaluating the concurrence under the influence of dissipation sources, too. At last, the effects of dissipation sources on the genuine tripartite entanglement between the three subsystems include of two two-level atoms and a quantized field are numerically studied. Due to the important role of stationary entanglement in quantum information processing, our results may provide useful hints for practical protocols which require
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Xun-Wei, Xu; Nian-Hua, Liu
2010-01-01
The effects of an applied low frequency field on the dynamics of a two-level atom interacting with a single-mode field are investigated. It is shown that the time evolution of the atomic population is mainly controlled by the coupling constants and the frequency of the low frequency field, which leads to a low frequency modulation function for the time evolution of the upper state population. The amplitude of the modulation function becomes larger as the coupling constants increase. The frequency of the modulation function is proportional to the frequency of the low frequency field, and decreases with increasing coupling constant. (classical areas of phenomenology)
Tavassoly, M. K.; Daneshmand, R.; Rustaee, N.
2018-06-01
In this paper we study the linear and nonlinear (intensity-dependent) interactions of two two-level atoms with a single-mode quantized field far from resonance, while the phase-damping effect is also taken into account. To find the analytical solution of the atom-field state vector corresponding to the considered model, after deducing the effective Hamiltonian we evaluate the time-dependent elements of the density operator using the master equation approach and superoperator method. Consequently, we are able to study the influences of the special nonlinearity function f (n) = √ {n}, the intensity of the initial coherent state field and the phase-damping parameter on the degree of entanglement of the whole system as well as the field and atom. It is shown that in the presence of damping, by passing time, the amount of entanglement of each subsystem with the rest of system, asymptotically reaches to its stationary and maximum value. Also, the nonlinear interaction does not have any effect on the entanglement of one of the atoms with the rest of system, but it changes the amplitude and time period of entanglement oscillations of the field and the other atom. Moreover, this may cause that, the degree of entanglement which may be low (high) at some moments of time becomes high (low) by entering the intensity-dependent function in the atom-field coupling.
International Nuclear Information System (INIS)
Tavassoly, M.K.; Hekmatara, H.
2015-01-01
In this paper, we consider the interaction between two two-level atoms and a two-mode binomial field with a general intensity-dependent coupling regime. The outlined dynamical problem has explicit analytical solution, by which we can evaluate a few of its physical features of interest. To achieve the purpose of the paper, after choosing a particular nonlinearity function, we investigate the quantum statistics, atomic population inversion and at last the linear entropy of the atom-field system which is a good measure for the degree of entanglement. In detail, the effects of binomial field parameters, in addition to different initial atomic states on the temporal behavior of the mentioned quantities have been analyzed. The results show that, the values of binomial field parameters and the initial state of the two atoms influence on the nonclassical effects in the obtained states through which one can tune the nonclassicality criteria appropriately. Setting intensity-dependent coupling function equal to 1 reduces the results to the constant coupling case. By comparing the latter case with the nonlinear regime, we will observe that the nonlinearity disappears the pattern of collapse-revival phenomenon in the evolution of Mandel parameter and population inversion (which can be seen in the linear case with constant coupling), however, more typical collapse-revivals will be appeared for the cross-correlation function in the nonlinear case. Finally, in both linear and nonlinear regime, the entropy remains less than (but close to) 0.5. In other words the particular chosen nonlinearity does not critically affect on the entropy of the system. (paper)
Abdalla, M. Sebawe; Khalil, E. M.; Obada, A. S.-F.
2017-08-01
The problem of the codirectional Kerr coupler has been considered several times from different point of view. In the present paper we introduce the interaction between a two-level atom and the codirectional Kerr nonlinear coupler in terms of su (2 ) Lie algebra. Under certain conditions we have adjusted the Kerr coupler and consequently we have managed to handle the problem. The wave function is obtained by using the evolution operator where the Heisnberg equation of motion is invoked to get the constants of the motion. We note that the Kerr parameter χ as well as the quantum number j plays the role of controlling the atomic inversion behavior. Also the maximum entanglement occurs after a short period of time when χ = 0. On the other hand for the entropy and the variance squeezing we observe that there is exchange between the quadrature variances. Furthermore, the variation in the quantum number j as well as in the parameter χ leads to increase or decrease in the number of fluctuations. Finally we examined the second order correlation function where classical and nonclassical phenomena are observed.
Optical resonance and two-level atoms
Allen, L
1987-01-01
""Coherent and lucid…a valuable summary of a subject to which [the authors] have made significant contributions by their own research."" - Contemporary PhysicsOffering an admirably clear account of the basic principles behind all quantum optical resonance phenomena, and hailed as a valuable contribution to the literature of nonlinear optics, this distinguished work provides graduate students and research physicists probing fields such as laser physics, quantum optics, nonlinear optics, quantum electronics, and resonance optics an ideal introduction to the study of the interaction of electroma
The geometric phase in two-level atomic systems
International Nuclear Information System (INIS)
Tian Mingzhen; Barber, Zeb W.; Fischer, Joe A.; Randall Babbitt, Wm.
2004-01-01
We report the observation of the geometric phase in a closed two-level atomic system using stimulated photon echoes. The two-level system studied consists of the two-electronic energy levels ( 3 H 4 and 3 H 6 ) of Tm 3+ doped in YAG crystal. When a two-level atom at an arbitrary superposition state is excited by a pair of specially designed laser pulses, the excited state component gains a relative phase with respect to the ground state component. We identified the phase shift to be of pure geometric nature. The dynamic phase associated to the driving Hamiltonian is unchanged. The experiment results of the phase change agree with the theory to the extent of the measurement limit
Institute of Scientific and Technical Information of China (English)
2008-01-01
The time evolution of the field quantum entropy and entanglement in a system of multi-mode coherent light field resonantly interacting with a two-level atom by de-generating the multi-photon process is studied by utilizing the Von Neumann re-duced entropy theory,and the analytical expressions of the quantum entropy of the multimode field and the numerical calculation results for three-mode field inter-acting with the atom are obtained. Our attention focuses on the discussion of the influences of the initial average photon number,the atomic distribution angle and the phase angle of the atom dipole on the evolution of the quantum field entropy and entanglement. The results obtained from the numerical calculation indicate that: the stronger the quantum field is,the weaker the entanglement between the quan-tum field and the atom will be,and when the field is strong enough,the two sub-systems may be in a disentangled state all the time; the quantum field entropy is strongly dependent on the atomic distribution angle,namely,the quantum field and the two-level atom are always in the entangled state,and are nearly stable at maximum entanglement after a short time of vibration; the larger the atomic dis-tribution angle is,the shorter the time for the field quantum entropy to evolve its maximum value is; the phase angles of the atom dipole almost have no influences on the entanglement between the quantum field and the two-level atom. Entangled states or pure states based on these properties of the field quantum entropy can be prepared.
Oscillations of Doppler-Raby of two level atom moving in resonator
International Nuclear Information System (INIS)
Kozlovskij, A.V.
2001-01-01
The interaction of the two-level atom with the quantum mode of the high-quality resonator uniformly moving by the classic trajectory, is considered. The recurrent formula for the probability of the atom transition with the photon radiation is determined through the dressed states method. It is shown, that the ratio between the Doppler shift value of the atom transition and the Raby frequency value of the atom-field system qualitatively effects the dependence of the moving atom transition probability on its position in the resonator, as well as on its value [ru
Teleporting the one-qubit state via two-level atoms with spontaneous emission
Energy Technology Data Exchange (ETDEWEB)
Hu Mingliang, E-mail: mingliang0301@xupt.edu.cn, E-mail: mingliang0301@163.com [School of Science, Xi' an University of Posts and Telecommunications, Xi' an 710061 (China)
2011-05-14
We study quantum teleportation via two two-level atoms coupled collectively to a multimode vacuum field and prepared initially in different atomic states. We concentrated on the influence of the spontaneous emission, collective damping and dipole-dipole interaction of the atoms on fidelity dynamics of quantum teleportation and obtained the region of spatial distance between the two atoms over which the state can be teleported nonclassically. Moreover, we showed through concrete examples that entanglement of the channel state is the prerequisite but not the only essential quantity for predicting the teleportation fidelity.
Protecting quantum coherence of two-level atoms from vacuum fluctuations of electromagnetic field
International Nuclear Information System (INIS)
Liu, Xiaobao; Tian, Zehua; Wang, Jieci; Jing, Jiliang
2016-01-01
In the framework of open quantum systems, we study the dynamics of a static polarizable two-level atom interacting with a bath of fluctuating vacuum electromagnetic field and explore under which conditions the coherence of the open quantum system is unaffected by the environment. For both a single-qubit and two-qubit systems, we find that the quantum coherence cannot be protected from noise when the atom interacts with a non-boundary electromagnetic field. However, with the presence of a boundary, the dynamical conditions for the insusceptible of quantum coherence are fulfilled only when the atom is close to the boundary and is transversely polarizable. Otherwise, the quantum coherence can only be protected in some degree in other polarizable direction. -- Highlights: •We study the dynamics of a two-level atom interacting with a bath of fluctuating vacuum electromagnetic field. •For both a single and two-qubit systems, the quantum coherence cannot be protected from noise without a boundary. •The insusceptible of the quantum coherence can be fulfilled only when the atom is close to the boundary and is transversely polarizable. •Otherwise, the quantum coherence can only be protected in some degree in other polarizable direction.
Quantum averaging and resonances: two-level atom in a one-mode classical laser field
Directory of Open Access Journals (Sweden)
M. Amniat-Talab
2007-06-01
Full Text Available We use a nonperturbative method based on quantum averaging and an adapted from of resonant transformations to treat the resonances of the Hamiltonian of a two-level atom interacting with a one-mode classical field in Floquet formalism. We illustrate this method by extraction of effective Hamiltonians of the system in two regimes of weak and strong coupling. The results obtained in the strong-coupling regime, are valid in the whole range of the coupling constant for the one-photon zero-field resonance.
Localization of a two-level atom via the absorption spectrum
International Nuclear Information System (INIS)
Xu, Jun; Hu, Xiang-Ming
2007-01-01
We show that it is possible to localize a two-level atom as it passes through a standing-wave field by measuring the probe-field absorption. There is 50% detecting probability of the atom at the nodes of the standing-wave field in the subwavelength domain when the probe field is tuned resonant with the atomic transition
Ultimate temperature for laser cooling of two-level neutral atoms
International Nuclear Information System (INIS)
Bagnato, V.S.; Zilio, S.C.
1989-01-01
We present a simple pedagogical method to evaluate the minimum attainable temperature for laser cooling of two-level neutral atoms. Results are given as a function of the laser detuning and intensity. We also discuss the use of this approach to predict the minimum temperature of neutral atoms confined in magnetic traps. (author) [pt
Polynomial pseudosupersymmetry underlying a two-level atom in an external electromagnetic field
International Nuclear Information System (INIS)
Samsonov, B.F.; Shamshutdinova, V.V.; Gitman, D.M.
2005-01-01
Chains of transformations introduced previously were studied in order to obtain electric fields with a time-dependent frequency for which the equation of motion of a two-level atom in the presence of these fields can be solved exactly. It is shown that a polynomial pseudosupersymmetry may be associated to such chains
Absorption spectrum of a two-level atom in a bad cavity with injected squeezed vacuum
Zhou, Peng; Swain, S.
1996-02-01
We study the absorption spectrum of a coherently driven two-level atom interacting with a resonant cavity mode which is coupled to a broadband squeezed vacuum through its input-output mirror in the bad cavity limit. We study the modification of the two-photon correlation strength of the injected squeezed vacuum inside the cavity, and show that the equations describing probe absorption in the cavity environment are formally identical to these in free space, but with modified parameters describing the squeezed vacuum. The two photon correlations induced by the squeezed vacuum are always weaker than in free space. We pay particular attention to the spectral behaviour at line centre in the region of intermediate trength driving intensities, where anomalous spectral features such as hole-burning and dispersive profiles are displayed. These unusual spectral features are very sensitive to the squeezing phase and the Rabi frequency of the driving field. We also derive the threshold value of the Rabi frequency which gives rise to the transparency of the probe beam at the driving frequency. When the Rabi frequency is less than the threshold value, the probe beam is absorbed, whilst the probe beam is amplified (without population inversion under certain conditions) when the Rabi frequency is larger than this threshold. The anomalous spectral features all take place in the vicinity of the critical point dividing the different dynamical regimes, probe absorption and amplification, of the atomic radiation. The physical origin of the strong amplification without population inversion, and the feasibility of observing it, are discussed.
A two-level solvable model involving competing pairing interactions
International Nuclear Information System (INIS)
Dussel, G.G.; Maqueda, E.E.; Perazzo, R.P.J.; Evans, J.A.
1986-01-01
A model is considered consisting of nucleons moving in two non-degenerate l-shells and interacting through two pairing residual interactions with (S, T) = (1, 0) and (0, 1). These, together with the single particle hamiltonian induce mutually destructive correlations, giving rise to various collective pictures that can be discussed as representing a two-dimensional space of phases. The model is solved exactly using an O(8)xO(8) group theoretical classification scheme. The transfer of correlated pairs and quartets is also discussed. (orig.)
Geometric manipulation of the quantum states of two-level atoms
International Nuclear Information System (INIS)
Tian, Mingzhen; Barber, Zeb W.; Fischer, Joe A.; Babbitt, Wm. Randall
2004-01-01
Manipulation of the quantum states of two-level atoms has been investigated using laser-controlled geometric phase change, which has the potential to build robust quantum logic gates for quantum computing. For a qubit based on two electronic transition levels of an atom, two basic quantum operations that can make any universal single qubit gate have been designed employing resonant laser pulses. An operation equivalent to a phase gate has been demonstrated using Tm 3+ doped in a yttrium aluminum garnet crystal
Entropy squeezing for a two-level atom in two-mode Raman coupled model with intrinsic decoherence
Institute of Scientific and Technical Information of China (English)
Zhang Jian; Shao Bin; Zou Jian
2009-01-01
In this paper,we investigate the entropy squeezing for a two-level atom interacting with two quantized fields through Raman coupling.We obtain the dynamical evolution of the total system under the influence of intrinsic decoherence when the two quantized fields are prepared in a two-mode squeezing vacuum state initially.The effects of the field squeezing factor,the two-level atomic transition frequency,the second field frequency and the intrinsic decoherence on the entropy squeezing are discussed.Without intrinsic decoherence,the increase of field squeezing factor can break the entropy squeezing.The two-level atomic transition frequency changes only the period of oscillation but not the strength of entropy squeezing.The influence of the second field frequency is complicated.With the intrinsic decoherence taken into consideration,the results show that the stronger the intrinsic decoherence is,the more quickly the entropy squeezing will disappear.The increase of the atomic transition frequency can hasten the disappearance of entropy squeezing.
Entropy squeezing for a two-level atom in two-mode Raman coupled model with intrinsic decoherence
International Nuclear Information System (INIS)
Jian, Zhang; Bin, Shao; Jian, Zou
2009-01-01
In this paper, we investigate the entropy squeezing for a two-level atom interacting with two quantized fields through Raman coupling. We obtain the dynamical evolution of the total system under the influence of intrinsic decoherence when the two quantized fields are prepared in a two-mode squeezing vacuum state initially. The effects of the field squeezing factor, the two-level atomic transition frequency, the second field frequency and the intrinsic decoherence on the entropy squeezing are discussed. Without intrinsic decoherence, the increase of field squeezing factor can break the entropy squeezing. The two-level atomic transition frequency changes only the period of oscillation but not the strength of entropy squeezing. The influence of the second field frequency is complicated. With the intrinsic decoherence taken into consideration, the results show that the stronger the intrinsic decoherence is, the more quickly the entropy squeezing will disappear. The increase of the atomic transition frequency can hasten the disappearance of entropy squeezing. (classical areas of phenomenology)
Quantum correlations between each two-level system in a pair of atoms and general coherent fields
Directory of Open Access Journals (Sweden)
S. Abdel-Khalek
Full Text Available The quantitative description of the quantum correlations between each two-level system in a two-atom system and the coherent fields initially defined in a coherent state in the framework of power-law potentials (PLPCSs is considered. Specifically, we consider two atoms locally interacting with PLPCSs and take into account the different terms of interactions, the entanglement and quantum discord are studied including the time-dependent coupling and photon transition effects. Using the monogamic relation between the entanglement of formation and quantum discord in tripartite systems, we show that the control and preservation of the different kinds of quantum correlations greatly benefit from the combination of the choice of the physical quantities. Finally, we explore the link between the dynamical behavior of quantum correlations and nonclassicality of the fields with and without atomic motion effect. Keywords: Quantum correlations, Monogamic relation, Coherent states, Power-law potentials, Wehrl entropy
International Nuclear Information System (INIS)
Ruschhaupt, A.; Muga, J. G.
2006-01-01
We present a generalized two-level scheme for an 'atom diode', namely, a laser device that lets a two-level ground-state atom pass in one direction, say from left to right, but not in the opposite direction. The laser field is composed of two lateral state-selective mirror regions and a central pumping region. We demonstrate the robustness of the scheme and propose a physical realization. It is shown that the inclusion of a counterintuitive laser field blocking the excited atoms on the left side of the device is essential for a perfect diode effect. The reason for this, the diodic behavior, and the robustness may be understood with an adiabatic approximation. The conditions to break down the approximation, which imply also the diode failure, are analyzed
Photon echo with a few photons in two-level atoms
International Nuclear Information System (INIS)
Bonarota, M; Dajczgewand, J; Louchet-Chauvet, A; Le Gouët, J-L; Chanelière, T
2014-01-01
To store and retrieve signals at the single photon level, various photon echo schemes have resorted to complex preparation steps involving ancillary shelving states in multi-level atoms. For the first time, we experimentally demonstrate photon echo operation at such a low signal intensity without any preparation step, which allows us to work with mere two-level atoms. This simplified approach relies on the so-coined ‘revival of silenced echo’ (ROSE) scheme. Low noise conditions are obtained by returning the atoms to the ground state before the echo emission. In the present paper we manage ROSE in photon counting conditions, showing that very strong control fields can be compatible with extremely weak signals, making ROSE consistent with quantum memory requirements. (paper)
Induced absorption and stimulated emission in a driven two-level atom
International Nuclear Information System (INIS)
Mavroyannis, C.
1992-01-01
We have considered the induced processes that occur in a driven two-level atom, where a laser photon is absorbed and emitted by the ground and by the excited states of the atom, respectively. In the low-intensity limit of the laser field, the induced spectra arising when a laser photon is absorbed by the ground state of the atom consist of two peaks describing induced absorption and stimulated-emission processes, respectively, where the former prevails over the latter. Asymmetry of the spectral lines occurs at off-resonance and its extent depends on the detuning of the laser field. The physical. process where a laser photon is emitted by the excited state is the reverse of that arising from the absorption of a laser photon by the ground state of the atom. The former differs from the latter in that the emission of a laser photon by the excited state occurs in the low frequency regime and that the stimulated-emission process prevails over that of the induced absorption. In this case, amplification of ultrashort pulses is likely to occur without the need of population inversion between the optical transitions. The computed spectra are graphically presented and discussed. (author)
Coherent effects on two-photon correlation and directional emission of two two-level atoms
International Nuclear Information System (INIS)
Ooi, C. H. Raymond; Kim, Byung-Gyu; Lee, Hai-Woong
2007-01-01
Sub- and superradiant dynamics of spontaneously decaying atoms are manifestations of collective many-body systems. We study the internal dynamics and the radiation properties of two atoms in free space. Interesting results are obtained when the atoms are separated by less than half a wavelength of the atomic transition, where the dipole-dipole interaction gives rise to new coherent effects, such as (a) coherence between two intermediate collective states, (b) oscillations in the two-photon correlation G (2) , (c) emission of two photons by one atom, and (d) the loss of directional correlation. We compare the population dynamics during the two-photon emission process with the dynamics of single-photon emission in the cases of a Λ and a V scheme. We compute the temporal correlation and angular correlation of two successively emitted photons using the G (2) for different values of atomic separation. We find antibunching when the atomic separation is a quarter wavelength λ/4. Oscillations in the temporal correlation provide a useful feature for measuring subwavelength atomic separation. Strong directional correlation between two emitted photons is found for atomic separation larger than a wavelength. We also compare the directionality of a photon spontaneously emitted by the two atoms prepared in phased-symmetric and phased-antisymmetric entangled states vertical bar ±> k 0 =e ik 0 ·r 1 vertical bar a 1 ,b 2 >±e ik 0 ·r 2 vertical bar b 1 ,a 2 > by a laser pulse with wave vector k 0 . Photon emission is directionally suppressed along k 0 for the phased-antisymmetric state. The directionality ceases for interatomic distances less than λ/2
Bayesian feedback versus Markovian feedback in a two-level atom
International Nuclear Information System (INIS)
Wiseman, H.M.; Mancini, Stefano; Wang Jin
2002-01-01
We compare two different approaches to the control of the dynamics of a continuously monitored open quantum system. The first is Markovian feedback, as introduced in quantum optics by Wiseman and Milburn [Phys. Rev. Lett. 70, 548 (1993)]. The second is feedback based on an estimate of the system state, developed recently by Doherty and Jacobs [Phys. Rev. A 60, 2700 (1999)]. Here we choose to call it, for brevity, Bayesian feedback. For systems with nonlinear dynamics, we expect these two methods of feedback control to give markedly different results. The simplest possible nonlinear system is a driven and damped two-level atom, so we choose this as our model system. The monitoring is taken to be homodyne detection of the atomic fluorescence, and the control is by modulating the driving. The aim of the feedback in both cases is to stabilize the internal state of the atom as close as possible to an arbitrarily chosen pure state, in the presence of inefficient detection and other forms of decoherence. Our results (obtained without recourse to stochastic simulations) prove that Bayesian feedback is never inferior, and is usually superior, to Markovian feedback. However, it would be far more difficult to implement than Markovian feedback and it loses its superiority when obvious simplifying approximations are made. It is thus not clear which form of feedback would be better in the face of inevitable experimental imperfections
International Nuclear Information System (INIS)
Slavcheva, G.; Hess, O.
2005-01-01
We propose and develop a method for theoretical description of circularly (elliptically) polarized optical pulse resonant coherent interactions with two-level atoms. The method is based on the time-evolution equations of a two-level quantum system in the presence of a time-dependent dipole perturbation for electric dipole transitions between states with total angular-momentum projection difference (ΔJ z =±1) excited by a circularly polarized electromagnetic field [Feynman et al., J. Appl. Phys. 28, 49 (1957)]. The adopted real-vector representation approach allows for coupling with the vectorial Maxwell's equations for the optical wave propagation and thus the resulting Maxwell pseudospin equations can be numerically solved in the time domain without any approximations. The model permits a more exact study of the ultrafast coherent pulse propagation effects taking into account the vector nature of the electromagnetic field and hence the polarization state of the optical excitation. We demonstrate self-induced transparency effects and formation of polarized solitons. The model represents a qualitative extension of the well-known optical Maxwell-Bloch equations valid for linearly polarized light and a tool for studying coherent quantum control mechanisms
Temporal Bell-type inequalities for two-level Rydberg atoms coupled to a high-Q resonator
International Nuclear Information System (INIS)
Huelga, S.F.; Marshall, T.W.; Santos, E.
1996-01-01
Following the strategy of showing specific quantum effects by means of the violation of a classical inequality, a pair of Bell-type inequalities is derived on the basis of certain additional assumptions, whose plausibility is discussed in detail. Such inequalities are violated by the quantum mechanical predictions for the interaction of a two-level Rydberg atom with a single mode sustained by a high-Q resonator. The experimental conditions required in order to show the existence of forbidden values, according to a hidden variables formalism, in a real experiment are analyzed for various initial field statistics. In particular, the revival dynamics expected for the interaction with a coherent field leads to classically forbidden values, which would indicate a purely quantum effect. copyright 1996 The American Physical Society
Crises-induced intermittencies in a coherently driven system of two-level atoms
International Nuclear Information System (INIS)
Pando L, C.L.; Perez, G.; Cerdeira, H.A.
1993-04-01
We study the coherent dynamics of a thin layer of two-level atoms driven by an external coherent field and a phase conjugated mirror (PCM). Since the variables of the system are defined on the Bloch sphere, the third dimension is provided by the temporal modulation of the Rabi frequencies, which are induced by a PCM which reflects an electric field with a carrier frequency different from the incident one. We show that as the PCM gain coefficient is changed period doubling leading to chaos occurs. We find crises of attractor merging and attractor widening types related to homoclinic and heteroclinic tangencies respectively. For the attractor merging crises we find the critical exponent for the characteristic time of intermittency versus the control parameter which is given by the gain coefficient of the PCM. We show that during the crises of attractor widening type, another crisis due to attractor destruction occurs as the control parameter is changed. The latter is due to the collision of the old attractor with its basin boundary when a new attractor is created. This new attractor is stable only in a very small interval in the neighborhood of this second crisis. (author). 31 refs, 15 figs
Atomic and Molecular Interactions
International Nuclear Information System (INIS)
2002-01-01
The Gordon Research Conference (GRC) on Atomic and Molecular Interactions was held at Roger Williams University, Bristol, RI. Emphasis was placed on current unpublished research and discussion of the future target areas in this field
Two-Level Designs to Estimate All Main Effects and Two-Factor Interactions
Eendebak, P.T.; Schoen, E.D.
2017-01-01
We study the design of two-level experiments with N runs and n factors large enough to estimate the interaction model, which contains all the main effects and all the two-factor interactions. Yet, an effect hierarchy assumption suggests that main effect estimation should be given more prominence
Institute of Scientific and Technical Information of China (English)
李春先; 方卯发
2003-01-01
We study the squeezing for a two-level atom in the Jaynes-Cummings model with intensity-dependent coupling using quantum information entropy, and examine the influences of the initial state of the system on the squeezed component number and direction of the information entropy squeezing. Our results show that, the squeezed component number depends on the atomic initial distribution angle, while the squeezed direction is determined by both the phases of the atom and the field for the information entropy squeezing. Quantum information entropy is shown to be a remarkable precision measure for atomic squeezing.
On the deviation from the sech2 superradiant emission law in a two-level atomic system
International Nuclear Information System (INIS)
Goncalves, A.E.
1990-01-01
The atomic superradiant emission is treated in the single particle mean field approximation. A single particle Hamiltonian, which represents a dressed two-level atom in a radiation field, can be obtained and it is verified that it describes the transient regime of the emission process. While the line shape emission for a bare atom follows the sech 2 law, for the dressed atom the line shape deviates appreciably from this law and it is verified that the deviation depends crucially on the ratio of the dynamic frequency shift to the transition frequency. This kind of deviation is observed in experimental results. (Author) [pt
Wigner functions for nonclassical states of a collection of two-level atoms
Agarwal, G. S.; Dowling, Jonathan P.; Schleich, Wolfgang P.
1993-01-01
The general theory of atomic angular momentum states is used to derive the Wigner distribution function for atomic angular momentum number states, coherent states, and squeezed states. These Wigner functions W(theta,phi) are represented as a pseudo-probability distribution in spherical coordinates theta and phi on the surface of a sphere of radius the square root of j(j +1) where j is the total angular momentum.
Coherent control of the group velocity in a dielectric slab doped with duplicated two-level atoms
Ziauddin; Chuang, You-Lin; Lee, Ray-Kuang; Qamar, Sajid
2016-01-01
Coherent control of reflected and transmitted pulses is investigated theoretically through a slab doped with atoms in a duplicated two-level configuration. When a strong control field and a relatively weak probe field are employed, coherent control of the group velocity is achieved via changing the phase shift ϕ between control and probe fields. Furthermore, the peak values in the delay time of the reflected and transmitted pulses are also studied by varying the phase shift ϕ.
International Nuclear Information System (INIS)
Grace, Matthew; Brif, Constantin; Rabitz, Herschel; Walmsley, Ian A; Kosut, Robert L; Lidar, Daniel A
2007-01-01
Methods of optimal control are applied to a model system of interacting two-level particles (e.g., spin-half atomic nuclei or electrons or two-level atoms) to produce high-fidelity quantum gates while simultaneously negating the detrimental effect of decoherence. One set of particles functions as the quantum information processor, whose evolution is controlled by a time-dependent external field. The other particles are not directly controlled and serve as an effective environment, coupling to which is the source of decoherence. The control objective is to generate target one- and two-qubit unitary gates in the presence of strong environmentally-induced decoherence and under physically motivated restrictions on the control field. The quantum-gate fidelity, expressed in terms of a novel state-independent distance measure, is maximized with respect to the control field using combined genetic and gradient algorithms. The resulting high-fidelity gates demonstrate the feasibility of precisely guiding the quantum evolution via optimal control, even when the system complexity is exacerbated by environmental coupling. It is found that the gate duration has an important effect on the control mechanism and resulting fidelity. An analysis of the sensitivity of the gate performance to random variations in the system parameters reveals a significant degree of robustness attained by the optimal control solutions
Acoustic interactions between inversion symmetric and asymmetric two-level systems
International Nuclear Information System (INIS)
Churkin, A; Schechter, M; Barash, D
2014-01-01
Amorphous solids, as well as many disordered lattices, display remarkable universality in their low temperature acoustic properties. This universality is attributed to the attenuation of phonons by tunneling two-level systems (TLSs), facilitated by the interaction of the TLSs with the phonon field. TLS-phonon interaction also mediates effective TLS–TLS interactions, which dictates the existence of a glassy phase and its low energy properties. Here we consider KBr:CN, the archetypal disordered lattice showing universality. We calculate numerically, using conjugate gradients method, the effective TLS–TLS interactions for inversion symmetric (CN flips) and asymmetric (CN rotations) TLSs, in the absence and presence of disorder, in two and three dimensions. The observed dependence of the magnitude and spatial power law of the interaction on TLS symmetry, and its change with disorder, characterizes TLS–TLS interactions in disordered lattices in both extreme and moderate dilutions. Our results are in good agreement with the two-TLS model, recently introduced to explain long-standing questions regarding the quantitative universality of phonon attenuation and the energy scale of ≈1–3 K below which universality is observed. (paper)
Energy Technology Data Exchange (ETDEWEB)
Mueller, Clemens [ARC Centre of Excellence for Engineered Quantum Systems, The University of Queensland, Brisbane (Australia); Lisenfeld, Juergen [Physikalisches Institut, Karlsruhe Institute of Technology, Karlsruhe (Germany); Shnirman, Alexander [Institut fuer Theory der Kondensierten Materie, Karlsruhe Institute of Technology, Karlsruhe (Germany); LD Landau Institute for Theoretical Physics, Moscow (Russian Federation); Poletto, Stefano [IBM TJ Watson Research Centre, Yorktown Heights (United States)
2016-07-01
Since the very first experiments, superconducting circuits have suffered from strong coupling to environmental noise, destroying quantum coherence and degrading performance. In state-of-the-art experiments, it is found that the relaxation time of superconducting qubits fluctuates as a function of time. We present measurements of such fluctuations in a 3D-transmon circuit and develop a qualitative model based on interactions within a bath of background two-level systems (TLS) which emerge from defects in the device material. In our model, the time-dependent noise density acting on the qubit emerges from its near-resonant coupling to high-frequency TLS which experience energy fluctuations due to their interaction with thermally fluctuating TLS at low frequencies. We support the model by providing experimental evidence of such energy fluctuations observed in a single TLS in a phase qubit circuit.
Sohail, Amjad; Zhang, Yang; Zhang, Jun; Yu, Chang-Shui
2016-06-28
We analytically study the optomechanically induced transparency (OMIT) in the N-cavity system with the Nth cavity driven by pump, probing laser fields and the 1st cavity coupled to mechanical oscillator. We also consider that one atom could be trapped in the ith cavity. Instead of only illustrating the OMIT in such a system, we are interested in how the number of OMIT windows is influenced by the cavities and the atom and what roles the atom could play in different cavities. In the resolved sideband regime, we find that, the number of cavities precisely determines the maximal number of OMIT windows. It is interesting that, when the two-level atom is trapped in the even-labeled cavity, the central absorptive peak (odd N) or dip (even N) is split and forms an extra OMIT window, but if the atom is trapped in the odd-labeled cavity, the central absorptive peak (odd N) or dip (even N) is only broadened and thus changes the width of the OMIT windows rather than induces an extra window.
Canyon of current suppression in an interacting two-level quantum dot
DEFF Research Database (Denmark)
Karlström, O; Pedersen, Jonas Nyvold; Samuelsson, P
2011-01-01
Motivated by the recent discovery of a canyon of conductance suppression in a two-level equal-spin quantum dot system [Phys. Rev. Lett. 104, 186804 (2010)], the transport through this system is studied in detail. At low bias and low temperature a strong current suppression is found around...... the electron-hole symmetry point independent of the couplings, in agreement with previous results. By means of a Schrieffer–Wolff transformation we are able to give an intuitive explanation to this suppression in the low-energy regime. In the general situation, numerical simulations are carried out using...... for the current suppression. It is also shown how broadening, interference, and a finite interaction energy cause a shift of the current minimum away from degeneracy. Finally we see how an increased population of the upper level leads to current peaks on each side of the suppression line. At sufficiently high...
Elementary Atom Interaction with Matter
Mrowczynski, Stanislaw
1998-01-01
The calculations of the elementary atom (the Coulomb bound state of elementary particles) interaction with the atom of matter, which are performed in the Born approximation, are reviewed. We first discuss the nonrelativistic approach and then its relativistic generalization. The cross section of the elementary atom excitation and ionization as well as the total cross section are considered. A specific selection rule, which applies for the atom formed as positronium by particle-antiparticle pa...
Quantum gate for Q switching in monolithic photonic-band-gap cavities containing two-level atoms
International Nuclear Information System (INIS)
Greentree, Andrew D.; Prawer, Steven; Hollenberg, Lloyd C. L.; Salzman, J.
2006-01-01
Photonic-band-gap cavities are prime solid-state systems to investigate light-matter interactions in the strong coupling regime. However, as the cavity is defined by the geometry of the periodic dielectric pattern, cavity control in a monolithic structure can be problematic. Thus, either the state coherence is limited by the read-out channel, or in a high-Q cavity, it is nearly decoupled from the external world, making measurement of the state extremely challenging. We present here a method for ameliorating these difficulties by using a coupled cavity arrangement, where one cavity acts as a switch for the other cavity, tuned by control of the atomic transition
Correlations between interacting Rydberg atoms
DEFF Research Database (Denmark)
Paris-Mandoki, Asaf; Braun, Christoph; Hofferberth, Sebastian
2018-01-01
This paper is a short introduction to Rydberg physics and quantum nonlinear optics using Rydberg atoms. It has been prepared as a compliment to a series of lectures delivered during the Latin American School of Physics "Marcos Moshinsky" 2017. We provide a short introduction to the properties...... of individual Rydberg atoms and discuss in detail how the interaction potential between Rydberg atom pairs is calculated. We then discuss how this interaction gives rise to the Rydberg blockade mechanism. With the aid of hallmark experiments in the field applications of the blockade for creating correlated...
Yang, Ying; Liu, Xiaobao; Wang, Jieci; Jing, Jiliang
2018-03-01
We study how to improve the precision of the quantum estimation of phase for an uniformly accelerated atom in fluctuating electromagnetic field by reflecting boundaries. We find that the precision decreases with increases of the acceleration without the boundary. With the presence of a reflecting boundary, the precision depends on the atomic polarization, position and acceleration, which can be effectively enhanced compared to the case without boundary if we choose the appropriate conditions. In particular, with the presence of two parallel reflecting boundaries, we obtain the optimal precision for atomic parallel polarization and the special distance between two boundaries, as if the atom were shielded from the fluctuation.
Lasers, light-atom interaction
International Nuclear Information System (INIS)
Cagnac, B.; Faroux, J.P.
2002-01-01
This book has a double purpose: first to explain in a way as simple as possible the interaction processes occurring between atoms and light waves, and secondly to help any scientist that needs further information to improve his knowledge of lasers. The content of this book has been parted into 3 more or less independent sections: 1) effect of an electromagnetic field on a 2-quantum state system, 2) operating mode of lasers in the framework of transition probabilities, and 3) calculation of the emitted wave. Einstein's phenomenological hypothesis has led to probability equations called rate equations, these equations do not give a true representation of the interaction process at the scale of the atom but this representation appears to be true on an average over a large population of atoms. Only quantum mechanics can describe accurately the light-atom interaction but at the cost of a far higher complexity. In the first part of the book quantum mechanics is introduced and applied under 2 simplifying hypothesis: -) the atom system has only 2 non-degenerate states and -) the intensity of the light wave is high enough to involve a large population of photons. Under these hypothesis, Rabi oscillations, Ramsey pattern and the splitting of Autler-Townes levels are explained. The second part is dedicated to the phenomenological model of Einstein that gives good results collectively. In the third part of the book, Maxwell equations are used to compute field spatial distribution that are currently found in experiments involving lasers. (A.C.)
Correlations between interacting Rydberg atoms
Paris-Mandoki, Asaf; Braun, Christoph; Hofferberth, Sebastian
2018-04-01
This paper is a short introduction to Rydberg physics and quantum nonlinear optics using Rydberg atoms. It has been prepared as a compliment to a series of lectures delivered during the Latin American School of Physics "Marcos Moshinsky" 2017. We provide a short introduction to the properties of individual Rydberg atoms and discuss in detail how the interaction potential between Rydberg atom pairs is calculated. We then discuss how this interaction gives rise to the Rydberg blockade mechanism. With the aid of hallmark experiments in the field applications of the blockade for creating correlated quantum systems are discussed. Our aim is to give an overview of this exciting and rapidly evolving field. The interested reader is referred to original work and more comprehensive reviews and tutorials for further details on these subjects.
Liu, Zeng-Xing; Xiong, Hao; Wu, Ying
2018-01-01
It is quite important to enhance and control the optomechanically induced high-order sideband generation to achieve low-power optical comb and high-sensitivity sensing with an integrable structure. Here we present and analyze a proposal for enhancement and manipulation of optical nonlinearity and high-order sideband generation in a hybrid atom-cavity optomechanical system that is coherently driven by a bichromatic input field consisting of a control field and a probe field and that works beyond the perturbative regime. Our numerical analysis with experimentally achievable parameters confirms that robust high-order sideband generation and typical spectral structures with nonperturbative features can be created even under weak driven fields. The dependence of the high-order sideband generation on the atomic parameters are also discussed in detail, including the decay rate of the atoms and the coupling parameter between the atoms and the cavity field. We show that the cutoff order as well as the amplitude of the higher-order sidebands can be well tuned by the atomic coupling strength and the atomic decay rate. The proposed mechanism of enhancing optical nonlinearity is quite general and can be adopted to optomechanical systems with different types of cavity.
International Nuclear Information System (INIS)
Li Gaoxiang; Evers, Joerg; Keitel, Christoph H
2005-01-01
We investigate the spontaneous-emission properties of a two-level atom embedded in a three-dimensional anisotropic photonic crystal. In addition to the modified density of states, the atom is driven by a coherent intense low-frequency field (LFF), which creates additional multiphoton decay channels with the exchange of two low-frequency photons and one spontaneous photon during an atomic transition. Due to the low frequency of the applied field, the various transition pathways may interfere with each other and thus give rise to a modified system dynamics. We find that even if all the atomic (bare and induced) transition frequencies are in the conducting band of the photonic crystal, there still may exist a photon-atom bound state in coexistence with propagating modes. The system also allows us to generate narrow lines in the spontaneous-emission spectrum. This spectrum is a function of the distance of the observer from the atom due to the band gap in the photonic crystal. The system properties depend on three characteristic frequencies, which are influenced by quantum interference effects. Thus these results can be attributed to a combination of interference and band-gap effects
Entanglement of a nonlinear two two-level atoms interacting with ...
Indian Academy of Sciences (India)
S Abdel-Khalek
2017-12-08
Dec 8, 2017 ... [4,5], superdense coding [6], quantum cryptography. [7,8] and quantum metrology [9]. These quantum infor- mation tasks cannot be carried out by classical resources and they rely on entangled states. This recognition led to an intensive search for mathematical tools that would enable a proper quantification ...
Strongly interacting photons and atoms
International Nuclear Information System (INIS)
Alge, W.
1999-05-01
This thesis contains the main results of the research topics I have pursued during the my PhD studies at the University of Innsbruck and partly in collaboration with the Institut d' Optique in Orsay, France. It is divided into three parts. The first and largest part discusses the possibility of using strong standing waves as a tool to cool and trap neutral atoms in optical cavities. This is very important in the field of nonlinear optics where several successful experiments with cold atoms in cavities have been performed recently. A discussion of the optical parametric oscillator in a regime where the nonlinearity dominates the evolution is the topic of the second part. We investigated mainly the statistical properties of the cavity output of the three interactive cavity modes. Very recently a system has been proposed which promises fantastic properties. It should exhibit a giant Kerr nonlinearity with negligible absorption thus leading to a photonic turnstile device based on cold atoms in cavity. We have shown that this model suffers from overly simplistic assumptions and developed several more comprehensive approaches to study the behavior of this system. Apart from the division into three parts of different contents the thesis is divided into publications, supplements and invisible stuff. The intention of the supplements is to reach researchers which work in related areas and provide them with more detailed information about the concepts and the numerical tools we used. It is written especially for diploma and PhD students to give them a chance to use the third part of our work which is actually the largest one. They consist of a large number of computer programs we wrote to investigate the behavior of the systems in parameter regions where no hope exists to solve the equations analytically. (author)
Effect of pairwise dipole–dipole interaction among three-atom systems
Indian Academy of Sciences (India)
2014-07-18
Jul 18, 2014 ... We present an analysis of a system of three two-level atoms interacting with one another through dipole–dipole interaction. The interaction manifests between the excited state of one of the atoms and the ground state of its nearest neighbour. Steady-state populations of the density matrix elements are ...
Strong interaction effects in hadronic atoms
International Nuclear Information System (INIS)
Kaufmann, W.B.
1977-01-01
The WKB method is applied to the calculation of strong interaction-induced level widths and shifts of hadronic atoms. The calculation, while elementary enough for undergraduate quantum mechanics students, gives a good account of kaonic and antiprotonic atom data
Simulation of coherent interactions between Rydberg atoms
International Nuclear Information System (INIS)
Robicheaux, F.; Hernandez, J.V.; Topcu, T.; Noordam, L.D.
2004-01-01
The results of a theoretical investigation of the coherent interaction between many Rydberg atoms are reported. The atoms are assumed to move very little during the time range we investigate. We describe the basic interaction between atoms and show that (contrary to previous theoretical studies) the interaction between the atoms can be coherent. The band structure for a perfect lattice of atoms and the density of states for an amorphous distribution of atoms are presented. We also give results for when the atoms are roughly positioned in a lattice. Finally, we performed detailed calculations to understand when the Rydberg interactions are too strong for an essential states type of approximation. The relevance of our results to previous measurements in a Rydberg gas and to possible future experiments is discussed
Optically polarized atoms understanding light-atom interactions
Auzinsh, Marcis; Rochester, Simon M
2010-01-01
This book is addressed at upper-level undergraduate and graduate students involved in research in atomic, molecular, and optical Physics. It will also be useful to researchers practising in this field. It gives an intuitive, yet sufficiently detailed and rigorous introduction to light-atom interactions with a particular emphasis on the symmetry aspects of the interaction, especially those associated with the angular momentum of atoms and light. The book will enable readers to carryout practical calculations on their own, and is richly illustrated with examples drawn from current research topic
Rayleigh scattering under light-atom coherent interaction
Takamizawa, Akifumi; Shimoda, Koichi
2012-01-01
Semi-classical calculation of an oscillating dipole induced in a two-level atom indicates that spherical radiation from the dipole under coherent interaction, i.e., Rayleigh scattering, has a power level comparable to that of spontaneous emission resulting from an incoherent process. Whereas spontaneous emission is nearly isotropic and has random polarization generally, Rayleigh scattering is strongly anisotropic and polarized in association with incident light. In the case where Rabi frequen...
Milić, Ivan; Atanacković, Olga
2014-10-01
State-of-the-art methods in multidimensional NLTE radiative transfer are based on the use of local approximate lambda operator within either Jacobi or Gauss-Seidel iterative schemes. Here we propose another approach to the solution of 2D NLTE RT problems, Forth-and-Back Implicit Lambda Iteration (FBILI), developed earlier for 1D geometry. In order to present the method and examine its convergence properties we use the well-known instance of the two-level atom line formation with complete frequency redistribution. In the formal solution of the RT equation we employ short characteristics with two-point algorithm. Using an implicit representation of the source function in the computation of the specific intensities, we compute and store the coefficients of the linear relations J=a+bS between the mean intensity J and the corresponding source function S. The use of iteration factors in the ‘local’ coefficients of these implicit relations in two ‘inward’ sweeps of 2D grid, along with the update of the source function in other two ‘outward’ sweeps leads to four times faster solution than the Jacobi’s one. Moreover, the update made in all four consecutive sweeps of the grid leads to an acceleration by a factor of 6-7 compared to the Jacobi iterative scheme.
Noise in strong laser-atom interactions: Phase telegraph noise
International Nuclear Information System (INIS)
Eberly, J.H.; Wodkiewicz, K.; Shore, B.W.
1984-01-01
We discuss strong laser-atom interactions that are subjected to jump-type (random telegraph) random-phase noise. Physically, the jumps may arise from laser fluctuations, from collisions of various kinds, or from other external forces. Our discussion is carried out in two stages. First, direct and partially heuristic calculations determine the laser spectrum and also give a third-order differential equation for the average inversion of a two-level atom on resonance. At this stage a number of general features of the interaction are able to be studied easily. The optical analog of motional narrowing, for example, is clearly predicted. Second, we show that the theory of generalized Poisson processes allows laser-atom interactions in the presence of random telegraph noise of all kinds (not only phase noise) to be treated systematically, by means of a master equation first used in the context of quantum optics by Burshtein. We use the Burshtein equation to obtain an exact expression for the two-level atom's steady-state resonance fluorescence spectrum, when the exciting laser exhibits phase telegraph noise. Some comparisons are made with results obtained from other noise models. Detailed treatments of the effects ofmly jumps, or as a model of finite laser bandwidth effects, in which the laser frequency exhibits random jumps. We show that these two types of frequency noise can be distinguished in light-scattering spectra. We also discuss examples which demonstrate both temporal and spectral motional narrowing, nonexponential correlations, and non-Lorentzian spectra. Its exact solubility in finite terms makes the frequency-telegraph noise model an attractive alternative to the white-noise Ornstein-Uhlenbeck frequency noise model which has been previously applied to laser-atom interactions
Super-Coulombic atom-atom interactions in hyperbolic media
Cortes, Cristian L.; Jacob, Zubin
2017-01-01
Dipole-dipole interactions, which govern phenomena such as cooperative Lamb shifts, superradiant decay rates, Van der Waals forces and resonance energy transfer rates, are conventionally limited to the Coulombic near-field. Here we reveal a class of real-photon and virtual-photon long-range quantum electrodynamic interactions that have a singularity in media with hyperbolic dispersion. The singularity in the dipole-dipole coupling, referred to as a super-Coulombic interaction, is a result of an effective interaction distance that goes to zero in the ideal limit irrespective of the physical distance. We investigate the entire landscape of atom-atom interactions in hyperbolic media confirming the giant long-range enhancement. We also propose multiple experimental platforms to verify our predicted effect with phonon-polaritonic hexagonal boron nitride, plasmonic super-lattices and hyperbolic meta-surfaces as well. Our work paves the way for the control of cold atoms above hyperbolic meta-surfaces and the study of many-body physics with hyperbolic media.
Interaction of strong electromagnetic fields with atoms
International Nuclear Information System (INIS)
Brandi, H.S.; Davidovich, L.; Zagury, N.
1982-06-01
Several non-linear processes involvoing the interaction of atoms with strong laser fields are discussed, with particular emphasis on the ionization problem. Non-perturbative methods which have been proposed to tackle this problem are analysed, and shown to correspond to an expansion in the intra-atomic potential. The relation between tunneling and multiphoton absorption as ionization mechanisms, and the generalization of Einstein's photoelectric equation to the strong-field case are discussed. (Author) [pt
Inter-atomic interaction between electrons, 2
International Nuclear Information System (INIS)
Haga, Eijiro; Kato, Tomohiko; Aisaka, Tsuyoshi.
1978-01-01
Intra- and inter-atomic interactions in the exchange process are defined with respect to the Wannier function rather than the atomic function. In relation to the neutron scattering data for nickel, the behavior for the effective exchange parameter I(q) in the q-dependent susceptibility is, in RPA, investigated by taking into account the main types of the nearest neighbor interactions and by extending our previous treatment. The different types of interactions lead to different behavior for the q-dependence of I(q). The contribution to I(q) from inter-atomic interactions other than the exchange type decreases as the surface area of the Fermi surface becomes large. For the exchange type, the l-th neighbor interaction with l<=4 is taken into account, and, from the comparison with the empirical result for I(q), it is found that the inter-atomic contribution to I(0) is about thirty percent with a reasonable decrease against l. (author)
Atom interferometry with trapped Bose-Einstein condensates: impact of atom-atom interactions
International Nuclear Information System (INIS)
Grond, Julian; Hohenester, Ulrich; Mazets, Igor; Schmiedmayer, Joerg
2010-01-01
Interferometry with ultracold atoms promises the possibility of ultraprecise and ultrasensitive measurements in many fields of physics, and is the basis of our most precise atomic clocks. Key to a high sensitivity is the possibility to achieve long measurement times and precise readout. Ultracold atoms can be precisely manipulated at the quantum level and can be held for very long times in traps; they would therefore be an ideal setting for interferometry. In this paper, we discuss how the nonlinearities from atom-atom interactions, on the one hand, allow us to efficiently produce squeezed states for enhanced readout and, on the other hand, result in phase diffusion that limits the phase accumulation time. We find that low-dimensional geometries are favorable, with two-dimensional (2D) settings giving the smallest contribution of phase diffusion caused by atom-atom interactions. Even for time sequences generated by optimal control, the achievable minimal detectable interaction energy ΔE min is of the order of 10 -4 μ, where μ is the chemical potential of the Bose-Einstein condensate (BEC) in the trap. From these we have to conclude that for more precise measurements with atom interferometers, more sophisticated strategies, or turning off the interaction-induced dephasing during the phase accumulation stage, will be necessary.
Entropy for the Quantized Field in the Atom-Field Interaction: Initial Thermal Distribution
Directory of Open Access Journals (Sweden)
Luis Amilca Andrade-Morales
2016-09-01
Full Text Available We study the entropy of a quantized field in interaction with a two-level atom (in a pure state when the field is initially in a mixture of two number states. We then generalise the result for a thermal state; i.e., an (infinite statistical mixture of number states. We show that for some specific interaction times, the atom passes its purity to the field and therefore the field entropy decreases from its initial value.
Anisotropic Interactions between Cold Rydberg Atoms
2015-09-28
AFRL-AFOSR-CL-TR-2015-0002 Anisotropic interactions between cold Rydberg atoms Luis Marcassa INSTITUTO DE FISICA DE SAO CARLOS Final Report 09/28...problem with the report +551633739806 Organization / Institution name Instituto de Fisica de Sao Carlos Grant/Contract Title The full title of the
Atomic and Molecular Manipulation of Chemical Interactions
National Research Council Canada - National Science Library
Ho, Wilson
2007-01-01
.... In effect, the goal is to carry out chemical changes by manipulating individual atoms and molecules to induce different bonding geometry and to create new interactions with their environment. These studies provide the scientific basis for the advancement of technology in catalysis, molecular electronics, optics, chemical and biological sensing, and magnetic storage.
Muonic atom-light nucleus interaction
International Nuclear Information System (INIS)
Kuz'michev, V.E.; Peresypkin, V.V.; Efetov, A.V.
1991-01-01
The effective potential of the interaction between light nucleus and two-particle atom at distances greater than its Bohr radius is obtained in the analytic form on the basis of a correct account of three Coulomb particle problem. Features of the interaction between p, t, 4 He, 7 Be nuclei and mesonic atoms μp, μt, μ 4 He and μ 7 Be, that arising from the differences in masses and charges of interacting particles, are studied. The corresponding potentials in the pre-threshold energy range are given. The coefficients of the symptotic formula for the effective are calculated in adiabatic approximation and with regard for the main off-shell corrections. 16 refs.; 4 figs
Anti pp interactions in anti p atoms
International Nuclear Information System (INIS)
Poth, H.
1975-01-01
The x-rays of anti p atoms were recorded to trace out a strong interaction shift and width to the electromagnetic energy and the radiation width of the low-lying levels. The energy of the levels and consequently the energy of the transitions was calculated by solving numerically the Dirac equation with an electromagnetic potential, taking into account the finite size of the nucleus and the vacuum polarization. Due to the lack of sufficient data, the antiproton-nucleon interaction was not well understood at low energies. In order to separate antiproton-proton from antiproton-neutron interactions, the studies of isotope effects were proposed. (L.M.K.)
Cavity-QED interactions of two correlated atoms
Esfandiarpour, Saeideh; Safari, Hassan; Bennett, Robert; Yoshi Buhmann, Stefan
2018-05-01
We consider the resonant van der Waals (vdW) interaction between two correlated identical two-level atoms (at least one of which being excited) within the framework of macroscopic cavity quantum electrodynamics in linear, dispersing and absorbing media. The interaction of both atoms with the body-assisted electromagnetic field of the cavity is assumed to be strong. Our time-independent evaluation is based on an extended Jaynes–Cummings model. For a system prepared in a superposition of its dressed states, we derive the general form of the vdW forces, using a Lorentzian single-mode approximation. We demonstrate the applicability of this approach by considering the case of a planar cavity and showing the position dependence of Rabi oscillations. We also show that in the limiting case of weak coupling, our results reproduce the perturbative ones for the case where the field is initially in vacuum state while the atomic state is in a superposition of two correlated states sharing one excitation.
International Nuclear Information System (INIS)
Kang Guo-Dong; Fang Mao-Fa; Ouyang Xi-Cheng; Deng Xiao-Juan
2010-01-01
Considering two identical two-level atoms interacting with a single-model dissipative coherent cavity field without rotating wave approximation, we explore the entanglement dynamics of the two atoms prepared in different states using concurrence. Interestingly, our results show that the entanglement between the two atoms that initially disentangled will come up to a large constant rapidly, and then keeps steady in the following time or always has its maximum when prepared in some special Bell states. The model considered in this study is a good candidate for quantum information processing especially for quantum computation as steady high-degree atomic entanglement resource obtained in dissipative cavity
Ab initio calculation atomics ground state wave function for interactions Ion- Atom
International Nuclear Information System (INIS)
Shojaee, F.; Bolori zadeh, M. A.
2007-01-01
Ab initio calculation atomics ground state wave function for interactions Ion- Atom Atomic wave function expressed in a Slater - type basis obtained within Roothaan- Hartree - Fock for the ground state of the atoms He through B. The total energy is given for each atom.
The Interaction between Graphene and Oxygen Atom
Directory of Open Access Journals (Sweden)
Hao Yifan
2016-01-01
Full Text Available Based on the density function theory (DFT method, the interaction between the graphene and oxygen atom is simulated by the B3LYP functional with the 6-31G basis set. Due to the symmetry of graphene (C54H18, D6h, a representative patch is put forward to represent the whole graphene to simplify the description. The representative patch on the surface is considered to gain the potential energy surface (PES. By the calculation of the PES, four possible stable isomers of the C54H18-O radical can be obtained. Meanwhile, the structures and energies of the four possible stable isomers, are further investigated thermodynamically, kinetically, and chemically. According to the transition states, the possible reaction mechanism between the graphene and oxygen atom is given.
Qureshi, Muhammad Mohsin; Rehman, Hafeez Ur; Noh, Heung-Ryoul; Kim, Jin-Tae
2016-05-01
We have investigated ultra-narrow EIA spectral features with respect to variations of polarizations and powers of pump laser beam in a degenerate two-level system of the transition of 85 Rb D2 transition line. Polarizations of the probe laser beam in two separate experiments were fixed at right circular and horizontal linear polarizations, respectively while the polarizations of the pump lasers were varied from initial polarizations same as the probe laser beams to orthogonal to probe polarizations. One homemade laser combined with AOMs was used to the pump and probe laser beams instead of two different lasers to overcome broad linewidths of the homemade lasers. Theoretically, probe absorption coefficients have been calculated from optical Bloch equations of the degenerate two level system prepared by a pump laser beam. In the case of the circular polarization, EIA signal was obtained as expected theoretically although both pump and probe beams have same polarization. The EIA signal become smaller as power increases and polarizations of the pump and probe beams were same. When the polarization of the pump beam was linear polarization, maximum EIA signal was obtained theoretically and experimentally. Experimental EIA spectral shapes with respect to variations of the pump beam polarization shows similar trends as the theoretical results.
Interaction potential for two different atoms
International Nuclear Information System (INIS)
Kuzmichev, V.E.; Peresypkin, V.V.
1991-01-01
Using the rigorous approach to the nonrelativistic four Coulomb particle problem the interaction potentials between an ordinary hydrogen and muonic-hydrogen atoms at large: R>a e +a μ (1), and intermediate: a e >R>>a μ (2) distances, where a e and a μ are the Bohr radii, are calculated in the adiabatic approximation. The van der Waals potential constants in the region (1) and an explicit potential form in the region (2) taking into account both the polarization effects and the electron screening corrections are determined. 10 refs
First-Order Quantum Phase Transition for Dicke Model Induced by Atom-Atom Interaction
International Nuclear Information System (INIS)
Zhao Xiu-Qin; Liu Ni; Liang Jiu-Qing
2017-01-01
In this article, we use the spin coherent state transformation and the ground state variational method to theoretically calculate the ground function. In order to consider the influence of the atom-atom interaction on the extended Dicke model’s ground state properties, the mean photon number, the scaled atomic population and the average ground energy are displayed. Using the self-consistent field theory to solve the atom-atom interaction, we discover the system undergoes a first-order quantum phase transition from the normal phase to the superradiant phase, but a famous Dicke-type second-order quantum phase transition without the atom-atom interaction. Meanwhile, the atom-atom interaction makes the phase transition point shift to the lower atom-photon collective coupling strength. (paper)
Interaction of slow pions with atomic nuclei
International Nuclear Information System (INIS)
Troitskij, M.A.; Tsybul'nikov, A.V.; Chekunaev, N.I.
1984-01-01
Interactions of slow pions with atomic nuclei near to pion condensation are investigated. From comparison of experimental data with the theoretical calculation results on the basis of precise microscopic approach not bound with the random phase approximation (RPA) nuclear matter fundamental parameters near a critical point can be found. Optical potential of slow pions in nuclei, πN-scattering amplitudes and lengths, π-atom level isotopic shift, phenomenon of single-nucleon pion absorption by nucleus, phenomenon of nuclear critical opalescence are considered. The results of πN-scattering lengths calculation, sup(40-44)Ca, sup(24-29)Mg, sup(16-18)O π-atom level shift are presented. It is shown that the presence of π-condensate in nuclei can explain the observed suppression of p-wave potential terms. The phenomenon of single-nucleon pion absorption by nucleus is one of direct experiments which permits to reveal the π-condensate. The nuclear opalescence phenomenon is manifested in increase of pion photoproduction reaction cross section for account of nucleus proximity to π-condensation as compared with the calculated in the Fermi-gas model. The suggested method for calculating precondensate phenomena operates the better, the nearer is the system to the condensation threshold whereas the RPA method in this region is inapplicable
International Nuclear Information System (INIS)
Grishanin, B.A.; Shatalova, G.G.
1984-01-01
Calculation is made of a coherent part of response to a weak test field of an atom located in a strong resonance field. The latter bads to a suppression of phase relaxation. This response is shown to appear both at a test field freq uency ω and at a combination frequency 2ωsub(l)-ω, where ωsub(l) is a resona nce field frequency. The spectrum of test field absorption by such a system has a symmetric form and consist of two parts, one of which corresponds to a test f ield absorption and another - to its amplification
Interaction of relativistic elementary atoms with matter. I. General formulas
International Nuclear Information System (INIS)
Mrowczyn'ski, S.
1987-01-01
The problem of the interaction of relativistic elementary atoms (Coulomb bound states of elementary particles such as positronium, pionium, etc.) with matter is studied in the reference frame where the atom is initially at rest. An atom of matter is treated as a spinless structureless fast particle. The amplitudes of elementary-atom interaction are derived in the Born approximation under the assumption that a momentum transfer to the atom does not significantly exceed an inverse Bohr radius of the atom. The elementary-atom excitation and ionization processes are considered. The transitions where the spin projection of the atom component is reversed are also studied. In particular the matrix elements for para-ortho and ortho-para transitions are given. The spin structure of the amplitudes is discussed in detail. The sum rules, which allow the calculation of the cross sections summed over atom final states are found. Finally the formulas of the atom interaction cross sections are presented
2010 Atomic & Molecular Interactions Gordon Research Conference
Energy Technology Data Exchange (ETDEWEB)
Todd Martinez
2010-07-23
The Atomic and Molecular Interactions Gordon Conferences is justifiably recognized for its broad scope, touching on areas ranging from fundamental gas phase and gas-condensed matter collision dynamics, to laser-molecule interactions, photophysics, and unimolecular decay processes. The meeting has traditionally involved scientists engaged in fundamental research in gas and condensed phases and those who apply these concepts to systems of practical chemical and physical interest. A key tradition in this meeting is the strong mixing of theory and experiment throughout. The program for 2010 conference continues these traditions. At the 2010 AMI GRC, there will be talks in 5 broadly defined and partially overlapping areas of intermolecular interactions and chemical dynamics: (1) Photoionization and Photoelectron Dynamics; (2) Quantum Control and Molecules in Strong Fields; (3) Photochemical Dynamics; (4) Complex Molecules and Condensed Phases; and (5) Clusters and Reaction Dynamics. These areas encompass many of the most productive and exciting areas of chemical physics, including both reactive and nonreactive processes, intermolecular and intramolecular energy transfer, and photodissociation and unimolecular processes. Gas phase dynamics, van der Waals and cluster studies, laser-matter interactions and multiple potential energy surface phenomena will all be discussed.
Dynamical properties of a two-level system with arbitrary nonlinearities
Indian Academy of Sciences (India)
nication, information processing and quantum computing, such as in the investigation of quantum teleportation ... They con- sidered a two-level atom interacting with an undamped cavity initially in a coherent state. ... Because concurrence pro-.
Atom-atom interactions around the band edge of a photonic crystal waveguide.
Hood, Jonathan D; Goban, Akihisa; Asenjo-Garcia, Ana; Lu, Mingwu; Yu, Su-Peng; Chang, Darrick E; Kimble, H J
2016-09-20
Tailoring the interactions between quantum emitters and single photons constitutes one of the cornerstones of quantum optics. Coupling a quantum emitter to the band edge of a photonic crystal waveguide (PCW) provides a unique platform for tuning these interactions. In particular, the cross-over from propagating fields [Formula: see text] outside the bandgap to localized fields [Formula: see text] within the bandgap should be accompanied by a transition from largely dissipative atom-atom interactions to a regime where dispersive atom-atom interactions are dominant. Here, we experimentally observe this transition by shifting the band edge frequency of the PCW relative to the [Formula: see text] line of atomic cesium for [Formula: see text] atoms trapped along the PCW. Our results are the initial demonstration of this paradigm for coherent atom-atom interactions with low dissipation into the guided mode.
The antiproton-hydrogen atom interaction
International Nuclear Information System (INIS)
Morgan, D.L. Jr.
1994-07-01
The bar p-H interaction is the most important aspect of the bar ppe system. While this interaction is worthy of study in itself, it is also relevant to a number of bar p applications, both practical and in the area of fundamental physics. Theoretical study of p-H commenced more than 20 years ago and has continued with growing interest through the present. Experimental study has been limited, but recently measurements have been made of bar p's slowing in hydrogen at KeV energies, which shed light on their interaction with hydrogen atoms. Theoretical work involving various kinds and levels of approximation has now been carried out for a variety of bar p energy domains. Particular attention has been given to bar p capture at low and sub eV energies, in which a bound bar p-p state is formed, and to H excitation and ionization at KeV energies. Such calculations now extend into the sub Kelvin domain of energies. It is beginning to be possible to make comparisons between experiment and calculation and to compare calculations to one another. These comparisons suggest that theoretical work needs to be carried out in some intermediate energy domains and that some past calculations have to be repeated with more accurate methods
Long-range interactions among three alkali-metal atoms
International Nuclear Information System (INIS)
Marinescu, M.; Starace, A.F.
1996-01-01
The long-range asymptotic form of the interaction potential surface for three neutral alkali-metal atoms in their ground states may be expressed as an expansion in inverse powers of inter-nuclear distances. The first leading powers are proportional to the dispersion coefficients for pairwise atomic interactions. They are followed by a term responsible for a three body dipole interaction. The authors results consist in evaluation of the three body dipole interaction coefficient between three alkali-metal atoms. The generalization to long-range n atom interaction terms will be discussed qualitatively
A study of atomic interaction between suspended nanoparticles and sodium atoms in liquid sodium
International Nuclear Information System (INIS)
Saito, Jun-ichi; Ara, Kuniaki
2010-01-01
A feasibility study of suppression of the chemical reactivity of sodium itself using an atomic interaction between nanoparticles and sodium atoms has been carried out. We expected that the atomic interaction strengthens when the nanoparticle metal is the transition element which has a major difference in electronegativity from sodium. We also calculated the atomic interaction between nanoparticle and sodium atoms. It became clear that the atomic bond between the nanoparticle atom and the sodium atom is larger than that between sodium atoms, and the charge transfer takes place to the nanoparticle atom from the sodium atom. Using sodium with suspended nanoparticles, the fundamental physical properties related to the atomic interaction were investigated to verify the atomic bond. The surface tension of sodium with suspended nanoparticles increased, and the evaporation rate of sodium with suspended nanoparticles also decreased compared with that of sodium. Therefore the presence of the atomic interaction between nanoparticles and sodium was verified from these experiments. Because the fundamental physical property changes by the atomic interaction, we expected changes in the chemical reactivity characteristics. The chemical reaction properties of sodium with suspended nanoparticles with water were investigated experimentally. The released reaction heat and the reaction rate of sodium with suspended nanoparticles were reduced than those of sodium. The influence of the charge state of nanoparticle on the chemical process with water was theoretically investigated to speculate on the cause of reaction suppression. The potential energy in both primary and side reactions changed by the charge transfer, and the free energy of activation of the reaction with water increased. Accordingly, the reaction barrier also increased. This suggests there is a possibility of the reduction in the reaction of sodium by the suspension of nanoparticles. Consequently the possibility of the
International Nuclear Information System (INIS)
Liu Tang-Kun; Zhang Kang-Long; Tao Yu; Shan Chuan-Jia; Liu Ji-Bing
2016-01-01
The temporal evolution of the degree of entanglement between two atoms in a system of the binomial optical field interacting with two arbitrary entangled atoms is investigated. The influence of the strength of the dipole–dipole interaction between two atoms, probabilities of the Bernoulli trial, and particle number of the binomial optical field on the temporal evolution of the atomic entanglement are discussed. The result shows that the two atoms are always in the entanglement state. Moreover, if and only if the two atoms are initially in the maximally entangled state, the entanglement evolution is not affected by the parameters, and the degree of entanglement is always kept as 1. (paper)
Interaction of rare gas metastable atoms
International Nuclear Information System (INIS)
Wang, A.Z.F.
1977-11-01
The physical and chemical properties of metastable rare gas atoms are discussed and summarized. This is followed by a detailed examination of the various possible pathways whereby the metastable's excess electronic energy can be dissipated. The phenomenon of chemi-ionization is given special emphasis, and a theoretical treatment based on the use of complex (optical) potential is presented. This is followed by a discussion on the unique advantages offered by elastic differential cross section measurements in the apprehension of the fundamental forces governing the ionization process. The methodology generally adopted to extract information about the interaction potential for scattering data is also systematically outlined. Two widely studied chemi-ionization systems are then closely examined in the light of accurate differential cross section measurements obtained in this work. The first system is He(2 3 S) + Ar for which one can obtain an interaction potential which is in good harmony with the experimental results of other investigators. The validity of using the first-order semiclassical approximation for the phase shifts calculation in the presence of significant opacities is also discussed. The second reaction studied is He*+D 2 for which measurements were made on both spin states of the metastable helium. A self-consistent interaction potential is obtained for the triplet system, and reasons are given for not being able to do likewise for the singlet system. The anomalous hump proposed by a number of laboratories is analyzed. Total elastic and ionization cross sections as well as rate constants are calculated for the triplet case. Good agreement with experimental data is found. Finally, the construction and operation of a high power repetitively pulsed nitrogen laser pumped dye laser system is described in great details. Details for the construction and operation of a flashlamp pumped dye laser are likewise given
Observation of Atom Wave Phase Shifts Induced by Van Der Waals Atom-Surface Interactions
International Nuclear Information System (INIS)
Perreault, John D.; Cronin, Alexander D.
2005-01-01
The development of nanotechnology and atom optics relies on understanding how atoms behave and interact with their environment. Isolated atoms can exhibit wavelike (coherent) behavior with a corresponding de Broglie wavelength and phase which can be affected by nearby surfaces. Here an atom interferometer is used to measure the phase shift of Na atom waves induced by the walls of a 50 nm wide cavity. To our knowledge this is the first direct measurement of the de Broglie wave phase shift caused by atom-surface interactions. The magnitude of the phase shift is in agreement with that predicted by Lifshitz theory for a nonretarded van der Waals interaction. This experiment also demonstrates that atom waves can retain their coherence even when atom-surface distances are as small as 10 nm
Interaction of complex atoms with radiation
International Nuclear Information System (INIS)
Amus'ya, M.Ya.
1984-01-01
Different manifestations of multielectron atomic structure under photoionization are discussed. Collectivization of external electron shells essential both in production cross section and in angular distribution as well as in photoelectron polarization are noted. In a wide range of quantum energies (of the order of ionization potential) an incident electron scattering on the atom irradiates quite differently than on the potential. It polarizes atoms mainly dipolarly, and virtually excited atom emits ''bremsstrahlung'' quantum. With energy growth of the incident electron at small momentum transferred to it by the atom the role of the second mechanism turns to be determinant
Positron Interactions with Atoms and Ions
Bhatia, Anand K.
2012-01-01
Dirac, in 1928, combining the ideas of quantum mechanics and the ideas of relativity invented the well-known relativistic wave equation. In his formulation, he predicted an antiparticle of the electron of spin n-bar/2. He thought that this particle must be a proton. Dirac published his interpretation in a paper 'A theory of electrons and protons.' It was shown later by the mathematician Hermann Weyl that the Dirac theory was completely symmetric between negative and positive particles and the positive particle must have the same mass as that of the electron. In his J. Robert Oppenheimer Memorial Prize Acceptance Speech, Dirac notes that 'Blackett was really the first person to obtain hard evidence for the existence of a positron but he was afraid to publish it. He wanted confirmation, he was really over cautious.' Positron, produced by the collision of cosmic rays in a cloud chamber, was detected experimentally by Anderson in 1932. His paper was published in Physical Review in 1933. The concept of the positron and its detection were the important discoveries of the 20th century. I have tried to discuss various processes involving interactions of positrons with atoms and ions. This includes scattering, bound states and resonances. It has not been possible to include the enormous work which has been carried out during the last 40 or 50 years in theory and measurements.
Ionization due to the interaction between two Rydberg atoms
International Nuclear Information System (INIS)
Robicheaux, F
2005-01-01
Using a classical trajectory Monte Carlo method, we have computed the ionization resulting from the interaction between two cold Rydberg atoms. We focus on the products resulting from close interaction between two highly excited atoms. We give information on the distribution of ejected electron energies, the distribution of internal atom energies and the velocity distribution of the atoms and ions after the ionization. If the potential for the atom is not purely Coulombic, the average interaction between two atoms can change from attractive to repulsive giving a Van de Graaff-like mechanism for accelerating atoms. In a small fraction of ionization cases, we find that the ionization leads to a positive molecular ion where all of the distances are larger than 1000 Bohr radii
Depletion interaction measured by colloidal probe atomic force microscopy
Wijting, W.K.; Knoben, W.; Besseling, N.A.M.; Leermakers, F.A.M.; Cohen Stuart, M.A.
2004-01-01
We investigated the depletion interaction between stearylated silica surfaces in cyclohexane in the presence of dissolved polydimethylsiloxane by means of colloidal probe atomic force microscopy. We found that the range of the depletion interaction decreases with increasing concentration.
Basic atomic interactions of accelerated heavy ions in matter atomic interactions of heavy ions
Tolstikhina, Inga; Winckler, Nicolas; Shevelko, Viacheslav
2018-01-01
This book provides an overview of the recent experimental and theoretical results on interactions of heavy ions with gaseous, solid and plasma targets from the perspective of atomic physics. The topics discussed comprise stopping power, multiple-electron loss and capture processes, equilibrium and non-equilibrium charge-state fractions in penetration of fast ion beams through matter including relativistic domain. It also addresses mean charge-states and equilibrium target thickness in ion-beam penetrations, isotope effects in low-energy electron capture, lifetimes of heavy ion beams, semi-empirical formulae for effective cross sections. The book is intended for researchers and graduate students working in atomic, plasma and accelerator physics.
Dependences of the van der Waals atom-wall interaction on atomic and material properties
International Nuclear Information System (INIS)
Caride, A.O.; Klimchitskaya, G.L.; Mostepanenko, V.M.; Zanette, S.I.
2005-01-01
The 1%-accurate calculations of the van der Waals interaction between an atom and a cavity wall are performed in the separation region from 3 nm to 150 nm. The cases of metastable He * and Na atoms near metal, semiconductor, and dielectric walls are considered. Different approximations to the description of wall material and atomic dynamic polarizability are carefully compared. The smooth transition to the Casimir-Polder interaction is verified. It is shown that to obtain accurate results for the atom-wall van der Waals interaction at short separations with an error less than 1% one should use the complete optical-tabulated data for the complex refractive index of the wall material and the accurate dynamic polarizability of an atom. The obtained results may be useful for the theoretical interpretation of recent experiments on quantum reflection and Bose-Einstein condensation of ultracold atoms on or near surfaces of different kinds
Atomic processes in matter-antimatter interactions
International Nuclear Information System (INIS)
Morgan, D.L.
1988-01-01
Atomic processes dominate antiproton stopping in matter at nearly all energies of interest. They significantly influence or determine the antiproton annihilation rate at all energies around or below several MeV. This article reviews what is known about these atomic processes. For stopping above about 10 eV the processes are antiproton-electron collisions, effective at medium keV through high MeV energies, and elastic collisions with atoms and adiabatic ionization of atoms, effective from medium eV through low keB energies. For annihilation above about 10 eV is the enhancement of the antiproton annihilation rate due to the antiproton-nucleus coulomb attraction, effective around and below a few tens of MeV. At about 10 eV and below, the atomic rearrangement/annihilation process determines both the stopping and annihilation rates. Although a fair amount of theoretical and some experimental work relevant to these processes exist, there are a number of energy ranges and material types for which experimental data does not exist and for which the theoretical information is not as well grounded or as accurate as desired. Additional experimental and theoretical work is required for accurate prediction of antiproton stopping and annihilation for energies and material relevant to antiproton experimentation and application
Muon, positron and antiproton interactions with atoms and molecules
Energy Technology Data Exchange (ETDEWEB)
Armour, Edward A G, E-mail: edward.armour@nottingham.ac.u [School of Mathematical Sciences, University of Nottingham, Nottingham NG7 2RD (United Kingdom)
2010-04-01
In this paper, a description is given of some interesting processes involving the interaction of a muon, a positron, or an antiproton with atoms and molecules. The process involving a muon is the resonant formation of the muonic molecular ion, dt{mu}, in the muon catalyzed fusion cycle. In the case of a positron, the process considered is positron annihilation in low-energy positron scattering by the hydrogen molecule. The antiproton is considered as the nucleus of an antihydrogen atom interacting with simple atoms. Attention is given to antiproton annihilation through the strong interaction. An outline is given of proposed tests of fundamental physics to be carried out using antihydrogen.
Atom-atom interactions around the band edge of a photonic crystal waveguide
Hood, Jonathan D.; Goban, Akihisa; Asenjo-Garcia, Ana; Lu, Mingwu; Yu, Su-Peng; Chang, Darrick E.; Kimble, H. J.
2016-09-01
Tailoring the interactions between quantum emitters and single photons constitutes one of the cornerstones of quantum optics. Coupling a quantum emitter to the band edge of a photonic crystal waveguide (PCW) provides a unique platform for tuning these interactions. In particular, the cross-over from propagating fields E(x)∝e±ikxxE(x)∝e±ikxx outside the bandgap to localized fields E(x)∝e-κx|x|E(x)∝e-κx|x| within the bandgap should be accompanied by a transition from largely dissipative atom-atom interactions to a regime where dispersive atom-atom interactions are dominant. Here, we experimentally observe this transition by shifting the band edge frequency of the PCW relative to the D1D1 line of atomic cesium for N¯=3.0±0.5N¯=3.0±0.5 atoms trapped along the PCW. Our results are the initial demonstration of this paradigm for coherent atom-atom interactions with low dissipation into the guided mode.
Exotic atoms and the kaon-nucleon interaction
International Nuclear Information System (INIS)
Batty, C.J.
1989-12-01
Recent progress in the study of p-bar-p and p-bar-nucleus atoms is briefly reviewed before moving on to a discussion of the kaon-nucleon interaction at low energies. The need for new definitive X-ray measurements for K - p atoms is emphasised. Finally some comments are made about K-bar-nucleus and Σ - , Ξ - and Ω - atoms. (author)
Study on the fine control of atoms by coherent interaction
International Nuclear Information System (INIS)
Han, Jae Min; Rho, S. P.; Park, H. M.; Lee, K. S.; Rhee, Y. J.; Yi, J. H.; Jeong, D. Y.; Ko, K. H.; Lee, J. M.; Kim, M.K.
2000-01-01
Study on one dimensional atom cooling and trapping process which is basic to the development of atom manipulation technology has been performed. A Zeeman slower has been designed and manufactured for efficient cooling of atoms. The speed of atoms finally achieved is as slow as 15 m/s with proper cooling conditions. By six circularly-polarized laser beams and quadrupole magnetic field, the atoms which have been slowed down by zeeman slower have been trapped in a small spatial region inside MOT. The higher the intensity of the slowing laser is the more is the number of atoms slowed and the maximum number of atoms trapped has been 10 8 . The atoms of several tens of μK degree have been trapped by controlling the intensity of trapping laser and intensity gradient of magnetic field. EIT phenomena caused by atomic coherent interaction has been studied for the development of atom optical elements. For the investigation of the focusing phenomena induced by the coherent interaction, experimental measurements and theoretical analysis have been performed. Spatial dependency of spectrum and double distribution signal of coupling laser have been obtained. The deflection of laser beams utilizing the EIT effects has also been considered. (author)
Photonic and Quantum Interactions of Atomic-Scale Junctions
National Aeronautics and Space Administration — In this proposal, the fundamental quantum and photonic interactions of bimetallic atomic-scale junctions (ASJs) will be explored, with three major space...
Processus d'interaction entre photons et atomes
Fellot, Dominique
1996-01-01
This work expounds the basic force interactions between photons and atoms, as well as an analysis of more complex processes. Various theoretical methods are introduced and illustrated with simple systems that help broach that subject.
Collisional interaction between metastable neon atoms
Energy Technology Data Exchange (ETDEWEB)
Drunen, Wouter Johannes van
2008-07-07
In this thesis, the study of cold gases of neon atoms in different metastable states is described. It contains measurements of the collisional parameters for both the 3s[3/2]{sub 2} and the 3s'[1/2]{sub 0} metastable state and the dependence of the inelastic loss on external fields. Furthermore, the investigation of frequency dependent laser-induced collisions, and the possibility to excite photoassociation resonances is presented. For the measurements described here, neon atoms have been confined in a magnetooptical trap, in a magnetostatic trap, or in an optical dipole trap, respectively. By laser cooling inside the magnetic trap, atomic samples with more than 95 percent occupation of the magnetic substate m{sub J} = +2 could be prepared. They have a typical temperature of 0.5 mK, central densities up to 10{sup 11} cm{sup -3}, and a central phase-space density of up to 2.2.10{sup -7}. After loading the optical dipole trap from the magnetic trap, 2.5.10{sup 6} atoms with typical temperatures of 0.1 mK, and central densities up to 5.10{sup 10} cm{sup -3} were trapped. By evaporative cooling of the atoms in the magnetic trap we could increase the phase-space density by a factor of 200 to 5.10{sup -5}. Investigating the frequency dependence of laser-induced collisions did not reveal an experimental signature for the excitation of photoassociation resonances. For the {sup 3}D{sub 3} line a frequency dependence of laser enhanced Penning ionization was observed. Measurement of the two-body loss coefficient as function of the magnetic field showed a field dependence of the inelastic loss. These losses increase towards both small and large offset fields. The implementation of an optical dipole trap allowed us to trap the {sup 3}P{sub 0} metastable state. From the trap loss measurements we determined the two-body loss coefficient of the {sup 3}P{sub 0} metastable state for both bosonic isotopes {sup 20}Ne and {sup 22}Ne. For {sup 20}Ne we obtained {beta}=6{sup +5}{sub
Collisional interaction between metastable neon atoms
International Nuclear Information System (INIS)
Drunen, Wouter Johannes van
2008-01-01
In this thesis, the study of cold gases of neon atoms in different metastable states is described. It contains measurements of the collisional parameters for both the 3s[3/2] 2 and the 3s'[1/2] 0 metastable state and the dependence of the inelastic loss on external fields. Furthermore, the investigation of frequency dependent laser-induced collisions, and the possibility to excite photoassociation resonances is presented. For the measurements described here, neon atoms have been confined in a magnetooptical trap, in a magnetostatic trap, or in an optical dipole trap, respectively. By laser cooling inside the magnetic trap, atomic samples with more than 95 percent occupation of the magnetic substate m J = +2 could be prepared. They have a typical temperature of 0.5 mK, central densities up to 10 11 cm -3 , and a central phase-space density of up to 2.2.10 -7 . After loading the optical dipole trap from the magnetic trap, 2.5.10 6 atoms with typical temperatures of 0.1 mK, and central densities up to 5.10 10 cm -3 were trapped. By evaporative cooling of the atoms in the magnetic trap we could increase the phase-space density by a factor of 200 to 5.10 -5 . Investigating the frequency dependence of laser-induced collisions did not reveal an experimental signature for the excitation of photoassociation resonances. For the 3 D 3 line a frequency dependence of laser enhanced Penning ionization was observed. Measurement of the two-body loss coefficient as function of the magnetic field showed a field dependence of the inelastic loss. These losses increase towards both small and large offset fields. The implementation of an optical dipole trap allowed us to trap the 3 P 0 metastable state. From the trap loss measurements we determined the two-body loss coefficient of the 3 P 0 metastable state for both bosonic isotopes 20 Ne and 22 Ne. For 20 Ne we obtained β=6 +5 -4 .10 -10 cm 3 /s and for 22 Ne β = 11 +7 -6 .10 -10 cm 3 /s. (orig.)
Casimir interaction between gas media of excited atoms
International Nuclear Information System (INIS)
Sherkunov, Yury
2007-01-01
The retarded dispersion interaction (Casimir interaction) between two dilute dielectric media at high temperatures is considered. The excited atoms are taken into account. It is shown that the perturbation technique cannot be applied to this problem due to divergence of integrals. A non-perturbative approach based on kinetic Green functions is implemented. We consider the interaction between two atoms (one of them is excited) embedded in an absorbing dielectric medium. We take into account the possible absorption of photons in the medium, which solves the problem of divergence. The force between two plane dilute dielectric media is calculated at pair interaction approximation. We show that the result of quantum electrodynamics differs from the Lifshitz formula for dilute gas media at high temperatures (if the number of excited atoms is significant). According to quantum electrodynamics, the interaction may be either attractive or repulsive depending on the temperature and the density numbers of the media
Single-atom gating and magnetic interactions in quantum corrals
Energy Technology Data Exchange (ETDEWEB)
Ngo, Anh T.; Kim, Eugene H.; Ulloa, Sergio E.
2017-04-01
Single-atom gating, achieved by manipulation of adatoms on a surface, has been shown in experiments to allow precise control over superposition of electronic states in quantum corrals. Using a Green's function approach, we demonstrate theoretically that such atom gating can also be used to control the coupling between magnetic degrees of freedom in these systems. Atomic gating enables control not only on the direct interaction between magnetic adatoms, but also over superpositions of many-body states which can then control long distance interactions. We illustrate this effect by considering the competition between direct exchange between magnetic impurities and the Kondo screening mediated by the host electrons, and how this is affected by gating. These results suggest that both magnetic and nonmagnetic single-atom gating may be used to investigate magnetic impurity systems with tailored interactions, and may allow the control of entanglement of different spin states.
Non-linear interactions of multi-level atoms with a near-resonant standing wave
International Nuclear Information System (INIS)
O'Kane, T.J.; Scholten, R.E.; Walkiewicz, M.R.; Farrell, P.M.
1998-01-01
Using a semiclassical density matrix formalism we have calculated the behavior of multi-level atoms interacting with a standing wave field, and show how complex non-linear phenomena, including multi-photon effects, combine to produce saturation spectra as observed in experiments. We consider both 20-level sodium and 24-level rubidium models, contrasting these with a simple 2-level case. The influence of parameters such as atomic trajectory and the time the atom remains in the beam are shown to have a critical effect on the lineshape of these resonances and the emission/absorption processes. Stable oscillations in the excited state populations for both the two-level and multi-level cases are shown to be limit cycles. These limit cycles undergo period doubling as the system evolves into chaos. Finally, using a Monte Carlo treatment, these processes average to produce saturated absorption spectra complete with power and Doppler broadening effects consistent with experiment. (authors)
Atomic interactions of charged particles with matter
International Nuclear Information System (INIS)
Bichsel, H.
1993-01-01
Ideas about the interactions of charged particles with matter are discussed. First, some experimental information is presented. Concepts related to collision cross sections and the Bethe model for them are given. The stopping power is derived and applied to the discussion of depth dose functions ('Bragg curves'). Some details of the energy loss in microscopic volumes are discussed
International Nuclear Information System (INIS)
Li Xing; Hu Xiangming
2012-01-01
It has been known that two-mode entangled light can possibly be generated by employing near-resonant interaction with an ensemble of two-level atoms. The responsible mechanism is the absorption of two photons from the strong driving field and the emission of two new photons into the cavity field. Here, we generalize such a mechanism to three separated atomic ensembles and establish cascade interactions for four nondegenerate fields. It is shown that the quadripartite cluster and Greenberger–Horne–Zeilinger entangled states occur for continuous variables. The advantage of the present scheme for the multipartite entanglement lies in that the coupling strengths are much larger due to the near resonances than for far-off-resonance-based parametric processes. (paper)
Atom-Pair Kinetics with Strong Electric-Dipole Interactions.
Thaicharoen, N; Gonçalves, L F; Raithel, G
2016-05-27
Rydberg-atom ensembles are switched from a weakly to a strongly interacting regime via adiabatic transformation of the atoms from an approximately nonpolar into a highly dipolar quantum state. The resultant electric dipole-dipole forces are probed using a device akin to a field ion microscope. Ion imaging and pair-correlation analysis reveal the kinetics of the interacting atoms. Dumbbell-shaped pair-correlation images demonstrate the anisotropy of the binary dipolar force. The dipolar C_{3} coefficient, derived from the time dependence of the images, agrees with the value calculated from the permanent electric-dipole moment of the atoms. The results indicate many-body dynamics akin to disorder-induced heating in strongly coupled particle systems.
Estimation of atomic interaction parameters by quantum measurements
DEFF Research Database (Denmark)
Kiilerich, Alexander Holm; Mølmer, Klaus
Quantum systems, ranging from atomic systems to field modes and mechanical devices are useful precision probes for a variety of physical properties and phenomena. Measurements by which we extract information about the evolution of single quantum systems yield random results and cause a back actio...... strategies, we address the Fisher information and the Cramér-Rao sensitivity bound. We investigate monitoring by photon counting, homodyne detection and frequent projective measurements respectively, and exemplify by Rabi frequency estimation in a driven two-level system....
ENDF/B-6 Photon Atomic Interaction Data Library
International Nuclear Information System (INIS)
Lemmel, H.D.
1990-09-01
The ENDF/B-6 version of the Photo-Atomic Interaction Data Library of the Livermore Evaluated Photon Data Library (EPDL) contains pair and triplet cross-sections, photoelectric cross-sections, atom form factors, coherent scattering cross-sections and some other data for all the elements from Z=1 to 100. The data library is available on magnetic tape costfree from the IAEA Nuclear Data Section. The library supersedes the earlier photo-atomic data library by the US Radiation Shielding Information Center RSIC that was included in the data libraries ENDF/B-5 and JEF-1. (author). Refs, figs and tabs
Total cross section for relativistic positronium interaction with atom
International Nuclear Information System (INIS)
Pak, A.S.; Tarasov, A.V.
1985-01-01
Total cross sections of interaction of positronium relativistic atoms with atoms are calculated. Calculations are conducted within the framework of potential theory in Born approximaton. Contributions in total cross section of coherent (σsub(coh)) and incoherent (σsub(inc)) parts are analyzed. It is shown that for light elements σsub(inc) value is comparable with σsub(coh), and for heavy ones the ratio σsub(inc)/σsub(coh) sufficiently exceeds Zsup(-1) (Z-charge of the atomic nucleus. Numerical calculation results are presented. A conclusion is made on importance of the coherent part account during the calculation of total cross sections
2004 Atomic and Molecular Interactions Gordon Research Conference
International Nuclear Information System (INIS)
Dr. Paul J. Dagdigian
2004-01-01
The 2004 Gordon Research Conference on Atomic and Molecular Interactions was held July 11-16 at Colby-Sawyer College, New London, New Hampshire. This latest edition in a long-standing conference series featured invited talks and contributed poster papers on dynamics and intermolecular interactions in a variety of environments, ranging from the gas phase through surfaces and condensed media. A total of 90 conferees participated in the conference
Van der Waals interaction between metal and atom
International Nuclear Information System (INIS)
Rao, P.R.; Mukhopadhyay, G.
1984-07-01
A dielectric response approach to the Van der Waals interaction between an atom and a planar metal surface is presented. An exact formula in terms of a form factor is derived within the point dipole approximation and non-retarded limit valid for shorter separation. The interaction potential is studied via SCIB model, and a substantial modification over its classical form is found at shorter distances. (author)
2004 Atomic and Molecular Interactions Gordon Research Conference
Energy Technology Data Exchange (ETDEWEB)
Dr. Paul J. Dagdigian
2004-10-25
The 2004 Gordon Research Conference on Atomic and Molecular Interactions was held July 11-16 at Colby-Sawyer College, New London, New Hampshire. This latest edition in a long-standing conference series featured invited talks and contributed poster papers on dynamics and intermolecular interactions in a variety of environments, ranging from the gas phase through surfaces and condensed media. A total of 90 conferees participated in the conference.
"Material interactions": from atoms & bits to entangled practices
DEFF Research Database (Denmark)
Vallgårda, Anna
and intellectually stimulating panel moderated by Prof. Mikael Wiberg consisting of a number of scholars with a well-developed view on digital materialities to fuel a discussion on material interactions - from atoms & bits to entangled practices. These scholars include: Prof. Hiroshi Ishii, Prof. Paul Dourish...
Interactions of atomic hydrogen with amorphous SiO2
Yue, Yunliang; Wang, Jianwei; Zhang, Yuqi; Song, Yu; Zuo, Xu
2018-03-01
Dozens of models are investigated by the first-principles calculations to simulate the interactions of an atomic hydrogen with a defect-free random network of amorphous SiO2 (a-SiO2) and oxygen vacancies. A wide variety of stable configurations are discovered due to the disorder of a-SiO2, and their structures, charges, magnetic moments, spin densities, and density of states are calculated. The atomic hydrogen interacts with the defect-free a-SiO2 in positively or negatively charged state, and produces the structures absent in crystalline SiO2. It passivates the neutral oxygen vacancies and generates two neutral hydrogenated E‧ centers with different Si dangling bond projections. Electron spin resonance parameters, including Fermi contacts, and g-tensors, are calculated for these centers. The atomic hydrogen interacts with the positive oxygen vacancies in dimer configuration, and generate four different positive hydrogenated defects, two of which are puckered like the Eγ‧ centers. This research helps to understand the interactions between an atomic hydrogen, and defect-free a-SiO2 and oxygen vacancies, which may generate the hydrogen-complexed defects that play a key role in the degeneration of silicon/silica-based microelectronic devices.
Dressed molecules in resonantly interacting ultracold atomic Fermi gases
Falco, G.M.; Stoof, H.T.C.
2007-01-01
We present a detailed analysis of the two-channel atom-molecule effective Hamiltonian for an ultracold two-component homogeneous Fermi gas interacting near a Feshbach resonance. We particularly focus on the two-body and many-body properties of the dressed molecules in such a gas. An exact result
Measurement of strong interaction effects in antiprotonic helium atoms
International Nuclear Information System (INIS)
Davies, J.D.; Gorringe, T.P.; Lowe, J.; Nelson, J.M.; Playfer, S.M.; Pyle, G.J.; Squier, G.T.A.
1984-01-01
The strong interaction shift and width for the 2 p level and the width for the 3d level have been measured for antiprotonic helium atoms. The results are compared with optical model calculations. The possible existence of strongly bound antiproton states in nuclei is discussed. (orig.)
Reactive Collisions and Interactions of Ultracold Dipolar Atoms
2014-10-29
Kotochigova Department of Physics, Temple University, Philadelphia, PA 19122-6082 I. COLLISIONAL INTERACTIONS OF RARE- EARTH MAGNETIC ATOMS The breakthroughs...technologies, it was not previously implemented, possibly owing to the misconception that molecular ions predominantly undergo charge-exchange reactions leading
Long-range interactions of excited He atoms with ground-state noble-gas atoms
Zhang, J.-Y.; Qian, Ying; Schwingenschlö gl, Udo; Yan, Z.-C.
2013-01-01
The dispersion coefficients C6, C8, and C10 for long-range interactions of He(n1,3S) and He(n1,3P), 2≤n≤10, with the ground-state noble-gas atoms Ne, Ar, Kr, and Xe are calculated by summing over the reduced matrix elements of multipole transition
Interaction of atomic hydrogen with ethylene adsorbed on nickel films
International Nuclear Information System (INIS)
Korchak, V.N.; Tret'yakov, I.I.; Kislyuk, M.U.
1976-01-01
The reactivity of ethylene adsorbed on the pure films of nickel at various temperatures was studied with respect to hydrogen atoms generated in the gaseous phase. The experiments were conducted in a glass vacuum apparatus enabling one to obtain the highest vacuum up to 2x20 -10 torr. The catalyst, nickel films, was produced by their deposition onto the walls of the glass reactor at a pressure of the residual gas of 10 -9 torr and a temperature of the walls of 25 deg C. Gas purity was analyzed by the mass spectrometric method. The ethylene adsorbed at the temperatures below 173 deg K reacted readily with the hydrogen atoms to yield ethane. The process ran without practically any activation energy involved and was limited by the attachment of the first hydrogen atom to the ethylene molecule. The efficiency of this interaction was 0.02 of the number of the hydrogen atoms collisions against the surface occupied by the ethylene. The adsorption of the ethylene at room and higher temperatures was accompanied by its disproportioning with the release of the hydrogen into the gaseous phase and a serious destruction of the ethylene molecules adsorbed to produce hydrogen residues interacting with neither molecular nor atomic hydrogen [ru
Interaction of GaN epitaxial layers with atomic hydrogen
Energy Technology Data Exchange (ETDEWEB)
Losurdo, M.; Giangregorio, M.M.; Capezzuto, P.; Bruno, G.; Namkoong, G.; Doolittle, W.A.; Brown, A.S
2004-08-15
GaN surface passivation processes are still under development and among others hydrogen treatments are investigated. In this study, we use non-destructive optical and electrical probes such as spectroscopic ellipsometry (SE) and surface potential Kelvin probe microscopy (SP-KPM) in conjunction with non-contact atomic force microscopy (AFM) for the study of the different reactivity of Ga-polar and N-polar GaN epitaxial layers with atomic hydrogen. The GaN epitaxial layers are grown by molecular beam epitaxy on sapphire (0 0 0 1) substrates, and GaN and AlN buffer layers are used to grow N-polar and Ga-polar films, respectively. The atomic hydrogen is produced by a remote rf (13.56 MHz) H{sub 2} plasma in order to rule out any ion bombardment of the GaN surface and make the interaction chemical. It is found that the interaction of GaN surfaces with atomic hydrogen depends on polarity, with N-polar GaN exhibiting greater reactivity. Furthermore, it is found that atomic hydrogen is effective in the passivation of grain boundaries and surface defects states.
Interaction of GaN epitaxial layers with atomic hydrogen
International Nuclear Information System (INIS)
Losurdo, M.; Giangregorio, M.M.; Capezzuto, P.; Bruno, G.; Namkoong, G.; Doolittle, W.A.; Brown, A.S.
2004-01-01
GaN surface passivation processes are still under development and among others hydrogen treatments are investigated. In this study, we use non-destructive optical and electrical probes such as spectroscopic ellipsometry (SE) and surface potential Kelvin probe microscopy (SP-KPM) in conjunction with non-contact atomic force microscopy (AFM) for the study of the different reactivity of Ga-polar and N-polar GaN epitaxial layers with atomic hydrogen. The GaN epitaxial layers are grown by molecular beam epitaxy on sapphire (0 0 0 1) substrates, and GaN and AlN buffer layers are used to grow N-polar and Ga-polar films, respectively. The atomic hydrogen is produced by a remote rf (13.56 MHz) H 2 plasma in order to rule out any ion bombardment of the GaN surface and make the interaction chemical. It is found that the interaction of GaN surfaces with atomic hydrogen depends on polarity, with N-polar GaN exhibiting greater reactivity. Furthermore, it is found that atomic hydrogen is effective in the passivation of grain boundaries and surface defects states
Many-Body Theory for Positronium-Atom Interactions
Green, D. G.; Swann, A. R.; Gribakin, G. F.
2018-05-01
A many-body-theory approach has been developed to study positronium-atom interactions. As first applications, we calculate the elastic scattering and momentum-transfer cross sections and the pickoff annihilation rate 1Zeff for Ps collisions with He and Ne. For He the cross section is in agreement with previous coupled-state calculations, while comparison with experiment for both atoms highlights discrepancies between various sets of measured data. In contrast, the calculated 1Zeff (0.13 and 0.26 for He and Ne, respectively) are in excellent agreement with the measured values.
Interactions of circular Rydberg atoms with charged particles
International Nuclear Information System (INIS)
Wang, J.
1994-01-01
Recent progress in experimental cross-field techniques has made it possible to produce oriented Rydberg atoms of any angular momentum l within a given n manifold. The largest angular momentum state l max = n - 1 of a given n manifold is of particular interest because of its semiclassical properties for n much-gt 1. The corresponding classical Kepler orbit is circular with highly localized phase space distribution. The circular Rydberg atoms afford the opportunity to study various interactions in the semiclassical regime. The authors report electron capture from circular Rydberg atoms by protons and positrons at speeds comparable to the electron orbital speed. They find orientation dependent, novel peak structures for both protons and positrons in the angular scattering of the particles. The structures may be understood in terms of quasi Thomas double scattering mechanism for capture. Other related aspects including final state population and orientation indulged scattering asymmetry will also be discussed
Atom-surface interaction: Zero-point energy formalism
International Nuclear Information System (INIS)
Paranjape, V.V.
1985-01-01
The interaction energy between an atom and a surface formed by a polar medium is derived with use of a new approach based on the zero-point energy formalism. It is shown that the energy depends on the separation Z between the atom and the surface. With increasing Z, the energy decreases according to 1/Z 3 , while with decreasing Z the energy saturates to a finite value. It is also shown that the energy is affected by the velocity of the atom, but this correction is small. Our result for large Z is consistent with the work of Manson and Ritchie [Phys. Rev. B 29, 1084 (1984)], who follow a more traditional approach to the problem
Atom depth analysis delineates mechanisms of protein intermolecular interactions
International Nuclear Information System (INIS)
Alocci, Davide; Bernini, Andrea; Niccolai, Neri
2013-01-01
Highlights: •3D atom depth analysis is proposed to identify different layers in protein structures. •Amino acid contents for each layers have been analyzed for a large protein dataset. •Charged amino acids in the most external layer are present at very different extents. •Atom depth indexes of K residues reflect their side chains flexibility. •Mobile surface charges can be responsible for long range protein–protein recognition. -- Abstract: The systematic analysis of amino acid distribution, performed inside a large set of resolved protein structures, sheds light on possible mechanisms driving non random protein–protein approaches. Protein Data Bank entries have been selected using as filters a series of restrictions ensuring that the shape of protein surface is not modified by interactions with large or small ligands. 3D atom depth has been evaluated for all the atoms of the 2,410 selected structures. The amino acid relative population in each of the structural layers formed by grouping atoms on the basis of their calculated depths, has been evaluated. We have identified seven structural layers, the inner ones reproducing the core of proteins and the outer one incorporating their most protruding moieties. Quantitative analysis of amino acid contents of structural layers identified, as expected, different behaviors. Atoms of Q, R, K, N, D residues are increasingly more abundant in going from core to surfaces. An opposite trend is observed for V, I, L, A, C, and G. An intermediate behavior is exhibited by P, S, T, M, W, H, F and Y. The outer structural layer hosts predominantly E and K residues whose charged moieties, protruding from outer regions of the protein surface, reorient free from steric hindrances, determining specific electrodynamics maps. This feature may represent a protein signature for long distance effects, driving the formation of encounter complexes and the eventual short distance approaches that are required for protein
International Nuclear Information System (INIS)
Romashev, Yu. A.; Skorobogatov, G.A.
1999-01-01
The solution of the time-dependent Hamiltonian for the classical dipole interaction of a two-level atom with a monochromatic electromagnetic wave is presented. Both atomic energy levels are assumed to be unstable. The amplitudes and probabilities of transitions between the energy levels as well as the cross-sections of resonance absorption and induced emission are obtained explicitly. It is shown that in both stationary and nonstationary limits the instability of the lower level does not lead to a differential cross section of induced emission larger than those obtained from the Breit-Wigner formula in the standard collision theory. (authors)
International Nuclear Information System (INIS)
Glushkov, A.V.
1994-01-01
Based on the method of effective potential involving the new polarization interaction potential calculated from polarization diagrams of the perturbation theory in the Thomas-Fermi approximation, the main parameters of the interatomic potentials (equilibrium distances, potential well depth) are evaluated for a system consisting of an alkali atom in the ground and excited states and of a mercury atom. The results of calculations of quasi-molecular terms for the A-Hg system, where A = Na, Cs, Fr, are reported, some of which are obtained for the first time. A comparison is made with available experimental and theoretical data. 29 refs., 2 figs., 1 tab
D-state Rydberg electrons interacting with ultracold atoms
Energy Technology Data Exchange (ETDEWEB)
Krupp, Alexander Thorsten
2014-10-02
This thesis was established in the field of ultracold atoms where the interaction of highly excited D-state electrons with rubidium atoms was examined. This work is divided into two main parts: In the first part we study D-state Rydberg molecules resulting from the binding of a D-state Rydberg electron to a ground state rubidium atom. We show that we can address specific rovibrational molecular states by changing our laser detuning and thus create perfectly aligned axial or antialigned toroidal molecules, in good agreement with our theoretical calculations. Furthermore the influence of the electric field on the Rydberg molecules was investigated, creating novel states which show a different angular dependence and alignment. In the second part of this thesis we excite single D-state Rydberg electrons in a Bose-Einstein condensate. We study the lifetime of these Rydberg electrons, the change of the shape of our condensate and the atom losses in the condensate due to this process. Moreover, we observe quadrupolar shape oscillations of the whole condensate created by the consecutive excitation of Rydberg atoms and compare all results to previous S-state measurements. In the outlook we propose a wide range of further experiments including the proposal of imaging a single electron wavefunction by the imprint of its orbit into the Bose-Einstein condensate.
Weak Interaction Measurements with Optically Trapped Radioactive Atoms
International Nuclear Information System (INIS)
Vieira, D.J.; Crane, S.G.; Guckert, R.; Zhao, X.; Brice, S.J.; Goldschmidt, A.; Hime, A.; Tupa, D.
1999-01-01
This is the final report of a three-year, Laboratory-Directed Research and Development (LDRD) project at the Los Alamos National Laboratory (LANL). The goal of this project is to apply the latest in magneto-optical and pure magnetic trapping technology to concentrate, cool, confine, and polarize radioactive atoms for precise electroweak interaction measurements. In particular, the authors have concentrated their efforts on the trapping of 82 Rb for a parity-violating, beta-asymmetry measurement. Progress has been made in successfully trapping of up to 6 million 82 Rb(t 1/2 =75s) atoms in a magneto-optical trap coupled to a mass separator. This represents a two order of magnitude improvement in the number trapped radioactive atoms over all previous work. They have also measured the atomic hyperfine structure of 82 Rb and demonstrated the MOT-to-MOT transfer and accumulation of atoms in a second trap. Finally, they have constructed and tested a time-orbiting-potential magnetic trap that will serve as a rotating beacon of spin-polarized nuclei and a beta-telescope detection system. Prototype experiments are now underway with the initial goal of making a 1% measurements of the beta-asymmetry parameter A which would match the world's best measurements
The influence of atomic coherence and dipole–dipole interaction on ...
Indian Academy of Sciences (India)
Entanglement is an essential feature of quantum mechanics. ... entanglement in a system of two identical two-level atoms with one-photon ..... [1] M A Nielsen and I L Chuang, Quantum computation and quantum information (Cambridge.
Atomic interactions in precision interferometry using Bose-Einstein condensates
International Nuclear Information System (INIS)
Jamison, Alan O.; Gupta, Subhadeep; Kutz, J. Nathan
2011-01-01
We present theoretical tools for predicting and reducing the effects of atomic interactions in Bose-Einstein condensate (BEC) interferometry experiments. To address mean-field shifts during free propagation, we derive a robust scaling solution that reduces the three-dimensional Gross-Pitaevskii equation to a set of three simple differential equations valid for any interaction strength. To model the other common components of a BEC interferometer--condensate splitting, manipulation, and recombination--we generalize the slowly varying envelope reduction, providing both analytic handles and dramatically improved simulations. Applying these tools to a BEC interferometer to measure the fine structure constant, α[S. Gupta, K. Dieckmann, Z. Hadzibabic, and D. E. Pritchard, Phys. Rev. Lett. 89, 140401 (2002)], we find agreement with the results of the original experiment and demonstrate that atomic interactions do not preclude measurement to better than part-per-billion accuracy, even for atomic species with relatively large scattering lengths. These tools help make BEC interferometry a viable choice for a broad class of precision measurements.
Dipole-dipole interactions in a hot atomic vapor and in an ultracold gas of Rydberg atoms
Sautenkov, V. A.; Saakyan, S. A.; Bronin, S. Ya; Klyarfeld, A. B.; Zelener, B. B.; Zelener, B. V.
2018-01-01
In our paper ideal and non-ideal gas media of neutral atoms are analyzed. The first we discuss a dipole broadening of atomic transitions in excited dilute and dense metal vapors. Then the theoretical studies of the dipole-dipole interactions in dense ultracold gas of Rydberg atoms are considered. Possible future experiments on a base of our experimental arrangement are suggested.
Study on the fine control of atoms by coherent interaction
Energy Technology Data Exchange (ETDEWEB)
Min, Han Jae; Rho, S. P.; Park, H. M.; Lee, K. S.; Rhee, Y. J.; Yi, J. H.; Jeong, D. Y.; Jung, E. C.; Choe, A. S.; Lee, J. M
1999-01-01
The doppler-free saturation spectroscopy of Na atoms has been performed and the proper conditions for the frequency stabilization of narrow band cw dye lasers, which was used as laser sources for the laser cooling and trapping, have been obtained as follows : a) optimum pressure of a Na vapor cell: 10 mTorr b) intensity of a pump laser : a few {mu}W c) intensity of a probe laser : 1/10 of that of a pump laser. EIT (Electromagnetically Induced Transparency) generated by coherent laser-atom interactions was investigated experimentally and analyzed theoretically. The absorption of a probe laser could be remarkably reduced more than 90 % due to EIT effect. The EIT spectrum as narrow as 6 MHz which is even narrower than the natural linewidth of an excited state could be obtained under proper conditions.
Atoms and Ions Interacting with Particles and Fields: Final Report
Energy Technology Data Exchange (ETDEWEB)
Robicheaux, Francis [Auburn Univ., AL (United States)
2014-09-18
This grant supported research in basic atomic, molecular and optical physics related to the interactions of atoms with particles and fields. The duration of the grant was the 10 year period from 8/2003 to 8/2013. All of the support from the grant was used to pay salaries of the PI, postdocs, graduate students, and undergraduates and travel to conferences and meetings. The results were in the form of publications in peer reviewed journals. There were 65 peer reviewed publications over these 10 years with 8 of the publications in Physical Review Letters; all of the other articles were in respected peer reviewed journals (Physical Review A, New Journal of Physics, Journal of Physics B, ...). I will disuss the results for the periods of time relevant for each grant period.
Study on the fine control of atoms by coherent interaction
International Nuclear Information System (INIS)
Min, Han Jae; Rho, S. P.; Park, H. M.; Lee, K. S.; Rhee, Y. J.; Yi, J. H.; Jeong, D. Y.; Jung, E. C.; Choe, A. S.; Lee, J. M.
1999-01-01
The doppler-free saturation spectroscopy of Na atoms has been performed and the proper conditions for the frequency stabilization of narrow band cw dye lasers, which was used as laser sources for the laser cooling and trapping, have been obtained as follows : a) optimum pressure of a Na vapor cell: 10 mTorr b) intensity of a pump laser : a few μW c) intensity of a probe laser : 1/10 of that of a pump laser. EIT (Electromagnetically Induced Transparency) generated by coherent laser-atom interactions was investigated experimentally and analyzed theoretically. The absorption of a probe laser could be remarkably reduced more than 90 % due to EIT effect. The EIT spectrum as narrow as 6 MHz which is even narrower than the natural linewidth of an excited state could be obtained under proper conditions
Bose-Einstein atoms in atomic traps with predominantly attractive two-body interactions
International Nuclear Information System (INIS)
Hussein, M.S.; Vorov, O.K.
2002-01-01
Using the Perron-Frobenius theorem, we prove that the results by Wilkin, Gunn, and Smith [Phys. Rev. Lett. 80, 2265 (1998)] for the ground states at angular momentum L of N harmonically trapped Bose atoms, interacting via weak attractive δ 2 (r) forces, are valid for a broad class of predominantly attractive interactions V(r), not necessarily attractive for any r. This class is described by sufficient conditions on the two-body matrix elements of the potential V(r). It includes, in particular, the Gaussian attraction of arbitrary radius, -1/r-Coulomb and log(r)-Coulomb forces, as well as all the short-range interactions satisfying inequality ∫d 2 r-vectorV(r)<0. In the precollapse regime, the angular momentum L is concentrated in the collective 'center-of-mass' mode, and there is no condensation at high L
APIPIS: the Atomic Physics Ion-Photon Interaction System
International Nuclear Information System (INIS)
Johnson, B.M.; Jones, K.W.; Meron, M.; Kostroun, V.O.
1985-01-01
A proposed new facility for the study of highly charged heavy ions is described. The basic elements of APIPIS, the Atomic Physics Ion-Photon Interaction System, are: (1) a source of multiply-charged ions; (2) a linear accelerator; (3) a synchrotron storage ring; and (4) a source of high brightness x rays. The placement of a heavy ion storage ring at the x-ray ring of the National Synchrotron Light Source will provide unique opportunities for the study of photo-excitation of heavy ions
Interaction of antihydrogen with ordinary atoms and solid surfaces
Energy Technology Data Exchange (ETDEWEB)
Froelich, Piotr, E-mail: piotr.froelich@kvac.uu.se; Voronin, Alexei [P.N. Lebedev Physical Institute (Russian Federation)
2012-12-15
The characteristic features of cold atom-antiatom collisions and antiatom-surface interactions are discussed and illustrated by the results for hydrogen-antihydrogen scattering and for quantum reflection of ultracold antihydrogen from a metallic surface. We discuss in some detail the case of spin-exchange in ultracold H-bar - H collisions, exposing the interplay of Coulombic, strong and dispersive forces, and demonstrating the sensitivity of the spin-exchange cross sections to hypothetical violations of Charge-Parity-Time (CPT) symmetry.
Attractive interaction between an atom and a surface
International Nuclear Information System (INIS)
Manson, J.R.; Ritchie, R.H.
1983-01-01
Using a general self-energy formalism we examine the interaction between an atom and a surface. Considered in detail are deviations from the Van der Waals force due to recoil and finite velocity of the particle. Calculations for positronium near a metal surface show that for such systems recoil and velocity effects are significant even at very low energies. We also examine the mechanisms for energy exchange with the surface and calculations show that single quantum events do not always dominate the exchange rates. 8 references, 2 figures
Low-energy positron interactions with atoms and molecules
International Nuclear Information System (INIS)
Surko, C M; Gribakin, G F; Buckman, S J
2005-01-01
This paper is a review of low-energy positron interactions with atoms and molecules. Processes of interest include elastic scattering, electronic and vibrational excitation, ionization, positronium formation and annihilation. An overview is presented of the currently available theoretical and experimental techniques to study these phenomena, including the use of trap-based positron beam sources to study collision processes with improved energy resolution. State-resolved measurements of electronic and vibrational excitation cross sections and measurement of annihilation rates in atoms and molecules as a function of incident positron energy are discussed. Where data are available, comparisons are made with analogous electron scattering cross sections. Resonance phenomena, common in electron scattering, appear to be less common in positron scattering. Possible exceptions include the sharp onsets of positron-impact electronic and vibrational excitation of selected molecules. Recent energy-resolved studies of positron annihilation in hydrocarbons containing more than a few carbon atoms provide direct evidence that vibrational Feshbach resonances underpin the anomalously large annihilation rates observed for many polyatomic species. We discuss open questions regarding this process in larger molecules, as well as positron annihilation in smaller molecules where the theoretical picture is less clear. (topical review)
Interaction of atomic hydrogen with charcoal at 77 K
International Nuclear Information System (INIS)
Gorodetsky, A.E.; Vnukov, S.P.; Zalavutdinov, R.Kh.; Zakharov, A.P.; Buryak, A.K.; Ulyanov, A.V.; Federici, G.; Day, Chr.
2005-01-01
Charcoal is a working material of sorption cryopumps in the ITER project. The interaction of thermal hydrogen molecules and atoms with charcoal has been analyzed by TDS (77-300 K) and sorption measurements at 77 K. A stream quartz reactor with an H 2 RF discharge was used for the production of H atoms. The ratio of H and H 2 in the gas mixture in the afterglow zone was ∼10 -4 , hydrogen flow and inlet pressure were 6.9 sccm and 30 Pa, respectively. After exposure in the H/H 2 mixture during 1 hour the marked change in the shape of the TD spectra and decrease of the charcoal sorption capacity for hydrogen and nitrogen were detected. A wide spectrum of hydrocarbon fragments formed at 77 K was registered by mass-spectrometry at charcoal heating up to 700 K. The specific adsorption volume of charcoal, which was measured by N 2 adsorption at 77 K, decreased directly as amount of H atoms passed through the section with charcoal. (author)
Energy Technology Data Exchange (ETDEWEB)
Jiang, Jun, E-mail: phyjiang@yeah.net [Key Laboratory of Atomic and Molecular Physics and Functional Materials of Gansu Province, College of Physics and Electronic Engineering, Northwest Normal University, Lanzhou 730070 (China); School of Engineering, Charles Darwin University, Darwin, Northern Territory, 0909 (Australia); Mitroy, J. [School of Engineering, Charles Darwin University, Darwin, Northern Territory, 0909 (Australia); Cheng, Yongjun, E-mail: cyj83mail@gmail.com [School of Engineering, Charles Darwin University, Darwin, Northern Territory, 0909 (Australia); Academy of Fundamental and Interdisciplinary Science, Harbin Institute of Technology, Harbin 150080 (China); Bromley, M.W.J., E-mail: brom@physics.uq.edu.au [School of Mathematics and Physics, The University of Queensland, Brisbane, Queensland 4075 (Australia)
2015-01-15
Effective oscillator strength distributions are systematically generated and tabulated for the alkali atoms, the alkaline-earth atoms, the alkaline-earth ions, the rare gases and some miscellaneous atoms. These effective distributions are used to compute the dipole, quadrupole and octupole static polarizabilities, and are then applied to the calculation of the dynamic polarizabilities at imaginary frequencies. These polarizabilities can be used to determine the long-range C{sub 6}, C{sub 8} and C{sub 10} atom–atom interactions for the dimers formed from any of these atoms and ions, and we present tables covering all of these combinations.
International Nuclear Information System (INIS)
Jiang, Jun; Mitroy, J.; Cheng, Yongjun; Bromley, M.W.J.
2015-01-01
Effective oscillator strength distributions are systematically generated and tabulated for the alkali atoms, the alkaline-earth atoms, the alkaline-earth ions, the rare gases and some miscellaneous atoms. These effective distributions are used to compute the dipole, quadrupole and octupole static polarizabilities, and are then applied to the calculation of the dynamic polarizabilities at imaginary frequencies. These polarizabilities can be used to determine the long-range C 6 , C 8 and C 10 atom–atom interactions for the dimers formed from any of these atoms and ions, and we present tables covering all of these combinations
Cold atoms at unitarity and inverse square interaction
Energy Technology Data Exchange (ETDEWEB)
Bhaduri, R K [Department of Physics and Astronomy, McMaster University, Hamilton L8S 4M1 (Canada); Murthy, M V N [The Institute of Mathematical Sciences, Chennai 600113 (India); Srivastava, M K [Department of Physics, Indian Institute of Technology, Roorkee 247667 (India)
2009-12-14
Consider two identical atoms in a spherical harmonic oscillator interacting with a zero-range interaction which is tuned to produce an s-wave zero-energy bound state. The quantum spectrum of the system is known to be exactly solvable. We note that the same partial wave quantum spectrum is obtained by the one-dimensional scale-invariant inverse square potential. Long known as the Calogero-Sutherland-Moser (CSM) model, it leads to the fractional exclusion statistics (FES) of Haldane and Wu. The statistical parameter is deduced from the analytically calculated second virial coefficient. When FES is applied to a Fermi gas at unitarity, it gives good agreement with experimental data without the use of any free parameter.
Atom-scale molecular interactions in lipid raft mixtures
DEFF Research Database (Denmark)
Niemelä, Perttu S; Hyvönen, Marja T; Vattulainen, Ilpo
2009-01-01
We review the relationship between molecular interactions and the properties of lipid environments. A specific focus is given on bilayers which contain sphingomyelin (SM) and sterols due to their essential role for the formation of lipid rafts. The discussion is based on recent atom-scale molecular...... dynamics simulations, complemented by extensive comparison to experimental data. The discussion is divided into four sections. The first part investigates the properties of one-component SM bilayers and compares them to bilayers with phosphatidylcholine (PC), the focus being on a detailed analysis...... examples of this issue. The third part concentrates on the specificity of intermolecular interactions in three-component mixtures of SM, PC and cholesterol (CHOL) under conditions where the concentrations of SM and CHOL are dilute with respect to that of PC. The results show how SM and CHOL favor one...
Near-atomic model of microtubule-tau interactions.
Kellogg, Elizabeth H; Hejab, Nisreen M A; Poepsel, Simon; Downing, Kenneth H; DiMaio, Frank; Nogales, Eva
2018-06-15
Tau is a developmentally regulated axonal protein that stabilizes and bundles microtubules (MTs). Its hyperphosphorylation is thought to cause detachment from MTs and subsequent aggregation into fibrils implicated in Alzheimer's disease. It is unclear which tau residues are crucial for tau-MT interactions, where tau binds on MTs, and how it stabilizes them. We used cryo-electron microscopy to visualize different tau constructs on MTs and computational approaches to generate atomic models of tau-tubulin interactions. The conserved tubulin-binding repeats within tau adopt similar extended structures along the crest of the protofilament, stabilizing the interface between tubulin dimers. Our structures explain the effect of phosphorylation on MT affinity and lead to a model of tau repeats binding in tandem along protofilaments, tethering together tubulin dimers and stabilizing polymerization interfaces. Copyright © 2018 The Authors, some rights reserved; exclusive licensee American Association for the Advancement of Science. No claim to original U.S. Government Works.
Study of Adhesion Interaction Using Atomic Force Microscopy
Grybos, J.; Pyka-Fosciak, G.; Lebed, K.; Lekka, M.; Stachura, Z.; Styczeñ, J.
2003-05-01
An atomic force microscope is a useful tool to study the interaction forces at molecular level. In particular the atomic force microscope can measure an unbinding force needed to separate the two single molecule complexes. Recent studies have shown that such unbinding force depends linearly on the logarithm of the applied loading rate, defined as a product of scanning velocity and the spring constant characterizing the investigated system (cantilever vs. surface). This dependence can be used to study the energy landscape shape of a molecular complex by the estimation of energy barrier locations and the related dissociation rates. In the present work the complex consisting of ethylene(di)aminetetraacetic acid and the bovine serum albumin was measured. The dependence between the unbinding force and the logarithm of the loading rate was linear. Using the Bell model describing the dissociation of the above molecules caused by the action of the external bond breaking force, two parameters were estimated: the dissociation rate and the position of the energy barrier needed to overcome during a transition from a bound to unbound state. The obtained results are similar to those obtained for a typical ligand--receptor interaction.
Analytical local electron-electron interaction model potentials for atoms
International Nuclear Information System (INIS)
Neugebauer, Johannes; Reiher, Markus; Hinze, Juergen
2002-01-01
Analytical local potentials for modeling the electron-electron interaction in an atom reduce significantly the computational effort in electronic structure calculations. The development of such potentials has a long history, but some promising ideas have not yet been taken into account for further improvements. We determine a local electron-electron interaction potential akin to those suggested by Green et al. [Phys. Rev. 184, 1 (1969)], which are widely used in atom-ion scattering calculations, electron-capture processes, and electronic structure calculations. Generalized Yukawa-type model potentials are introduced. This leads, however, to shell-dependent local potentials, because the origin behavior of such potentials is different for different shells as has been explicated analytically [J. Neugebauer, M. Reiher, and J. Hinze, Phys. Rev. A 65, 032518 (2002)]. It is found that the parameters that characterize these local potentials can be interpolated and extrapolated reliably for different nuclear charges and different numbers of electrons. The analytical behavior of the corresponding localized Hartree-Fock potentials at the origin and at long distances is utilized in order to reduce the number of fit parameters. It turns out that the shell-dependent form of Green's potential, which we also derive, yields results of comparable accuracy using only one shell-dependent parameter
Dynamics of moving interacting atoms in a laser radiation field and optical size resonances
International Nuclear Information System (INIS)
Gadomskii, O.N.; Glukhov, A.G.
2005-01-01
The forces acting on interacting moving atoms exposed to resonant laser radiation are calculated. It is shown that the forces acting on the atoms include the radiation pressure forces as well as the external and internal bias forces. The dependences of the forces on the atomic spacing, polarization, and laser radiation frequency are given. It is found that the internal bias force associated with the interaction of atomic dipoles via the reemitted field may play an important role in the dynamics of dense atomic ensembles in a light field. It is shown that optical size resonances appear in the system of interacting atoms at frequencies differing substantially from transition frequencies in the spectrum of atoms. It is noted that optical size resonances as well as the Doppler frequency shift in the spectrum of interacting atoms play a significant role in the processes of laser-radiation-controlled motion of the atoms
Atomic and plasma-material interaction data for fusion. V.4
International Nuclear Information System (INIS)
1993-01-01
The International Atomic Energy Agency, through its Atomic and Molecular Data Unit, coordinates a wide spectrum of programmes for the compilation, evaluation, and generation of atomic, molecular, and plasma-wall interaction data for fusion research. The present volume is exclusively devoted to cross sections for collisions of hydrogen atoms with electron, protons and multiply charged ions
Rabi Oscillations between Ground and Rydberg States with Dipole-Dipole Atomic Interactions
International Nuclear Information System (INIS)
Johnson, T. A.; Urban, E.; Henage, T.; Isenhower, L.; Yavuz, D. D.; Walker, T. G.; Saffman, M.
2008-01-01
We demonstrate Rabi oscillations of small numbers of 87 Rb atoms between ground and Rydberg states with n≤43. Coherent population oscillations are observed for single atoms, while the presence of two or more atoms decoheres the oscillations. We show that these observations are consistent with van der Waals interactions of Rydberg atoms
International Nuclear Information System (INIS)
Sushilov, N.V.; Kholodkevich, E.D.
1995-01-01
An analytical expression is derived for the polarization induced by a weak probe field with periodically modulated amplitude in a two-level medium saturated by a strong amplitude-and phase-modulated resonance field. It is shown that the absorption spectrum of the probe field includes parametric resonances, the maxima corresponding to the condition δ= 2nΓ-Ω w and the minima to that of δ= (2n + 1)Γ- w , where δ is the probe-field detuning front the resonance frequency, Ω w is the modulation frequency of the probe-field amplitude, and Γ is the transition line width, n = 1, 2, 3, hor-ellipsis. At the specific modulation parameters, a substantial region of negative values (i.e., the region of amplification without the population inversion) exists in the absorption spectrum of the probe field
Models of the atomic nucleus. With interactive software
International Nuclear Information System (INIS)
Cook, N.D.
2006-01-01
This book-and-CD-software package supplies users with an interactive experience for nuclear visualization via a computer-graphical interface, similar in principle to the molecular visualizations already available in chemistry. Models of the Atomic Nucleus, a largely non-technical introduction to nuclear theory, explains the nucleus in a way that makes nuclear physics as comprehensible as chemistry or cell biology. The book/software supplements virtually any of the current textbooks in nuclear physics by providing a means for 3D visual display of the diverse models of nuclear structure. For the first time, an easy-to-master software for scientific visualization of the nucleus makes this notoriously ''non-visual'' field become immediately 'visible.' After a review of the basics, the book explores and compares the competing models, and addresses how the lattice model best resolves remaining controversies. The appendix explains how to obtain the most from the software provided on the accompanying CD. (orig.)
Unlocking higher harmonics in atomic force microscopy with gentle interactions.
Santos, Sergio; Barcons, Victor; Font, Josep; Verdaguer, Albert
2014-01-01
In dynamic atomic force microscopy, nanoscale properties are encoded in the higher harmonics. Nevertheless, when gentle interactions and minimal invasiveness are required, these harmonics are typically undetectable. Here, we propose to externally drive an arbitrary number of exact higher harmonics above the noise level. In this way, multiple contrast channels that are sensitive to compositional variations are made accessible. Numerical integration of the equation of motion shows that the external introduction of exact harmonic frequencies does not compromise the fundamental frequency. Thermal fluctuations are also considered within the detection bandwidth of interest and discussed in terms of higher-harmonic phase contrast in the presence and absence of an external excitation of higher harmonics. Higher harmonic phase shifts further provide the means to directly decouple the true topography from that induced by compositional heterogeneity.
Long-range interactions of excited He atoms with ground-state noble-gas atoms
Zhang, J.-Y.
2013-10-09
The dispersion coefficients C6, C8, and C10 for long-range interactions of He(n1,3S) and He(n1,3P), 2≤n≤10, with the ground-state noble-gas atoms Ne, Ar, Kr, and Xe are calculated by summing over the reduced matrix elements of multipole transition operators. The large-n expansions for the sums over the He oscillator strength divided by the corresponding transition energy are presented for these series. Using the expansions, the C6 coefficients for the systems involving He(131,3S) and He(131,3P) are calculated and found to be in good agreement with directly calculated values.
International Nuclear Information System (INIS)
Mostepanenko, V M; Babb, J F; Caride, A O; Klimchitskaya, G L; Zanette, S I
2006-01-01
The Casimir-Polder and van der Waals interactions between an atom and a flat cavity wall are investigated under the influence of real conditions including the dynamic polarizability of the atom, actual conductivity of the wall material and nonzero temperature of the wall. The cases of different atoms near metal and dielectric walls are considered. It is shown that to obtain accurate results for the atom-wall interaction at short separations, one should use the complete tabulated optical data for the complex refractive index of the wall material and the accurate dynamic polarizability of an atom. At relatively large separations in the case of a metal wall, one may use the plasma model dielectric function to describe the dielectric properties of the wall material. The obtained results are important for the theoretical interpretation of experiments on quantum reflection and Bose-Einstein condensation
Long-range interactions between alkali and alkaline-earth atoms
International Nuclear Information System (INIS)
Jiang Jun; Cheng Yongjun; Mitroy, J
2013-01-01
Dispersion coefficients between the alkali metal atoms (Li–Rb) and alkaline-earth metal atoms (Be–Sr) are evaluated using matrix elements computed from frozen core configuration interaction calculations. Besides dispersion coefficients with both atoms in their respective ground states, dispersion coefficients are also given for the case where one atom is in its ground state and the other atom is in a low-lying excited state. (paper)
Atom interaction propensities of oxygenated chemical functions in crystal packings
Directory of Open Access Journals (Sweden)
Christian Jelsch
2017-03-01
Full Text Available The crystal contacts of several families of hydrocarbon compounds substituted with one or several types of oxygenated chemical groups were analyzed statistically using the Hirshfeld surface methodology. The propensity of contacts to occur between two chemical types is described with the contact enrichment descriptor. The systematic large enrichment ratios of some interactions like the O—H...O hydrogen bonds suggests that these contacts are a driving force in the crystal packing formation. The same statement holds for the weaker C—H...O hydrogen bonds in ethers, esters and ketones, in the absence of polar H atoms. The over-represented contacts in crystals of oxygenated hydrocarbons are generally of two types: electrostatic attractions (hydrogen bonds and hydrophobic interactions. While Cl...O interactions are generally avoided, in a minority of chloro-oxygenated hydrocarbons, significant halogen bonding does occur. General tendencies can often be derived for many contact types, but outlier compounds are instructive as they display peculiar or rare features. The methodology also allows the detection of outliers which can be structures with errors. For instance, a significant number of hydroxylated molecules displaying over-represented non-favorable oxygen–oxygen contacts turned out to have wrongly oriented hydroxyl groups. Beyond crystal packings with a single molecule in the asymmetric unit, the behavior of water in monohydrate compounds and of crystals with Z′ = 2 (dimers are also investigated. It was found in several cases that, in the presence of several oxygenated chemical groups, cross-interactions between different chemical groups (e.g. water/alcohols; alcohols/phenols are often favored in the crystal packings. While some trends in accordance with common chemical principles are retrieved, some unexpected results can however appear. For example, in crystals of alcohol–phenol compounds, the strong O—H...O hydrogen bonds between
Kaonic atoms – studies of the strong interaction with strangeness
Directory of Open Access Journals (Sweden)
Marton J.
2014-01-01
Full Text Available The strong interaction of charged antikaons (K− with nucleons and nuclei in the low-energy regime is a fascinating topic. The antikaon plays a peculiar role in hadron physics due to the strong attraction antikaon-nucleon which is a key question for possible kaonic nuclear bound states. A rather direct experimental access to the antikaon-nucleon scattering lengths is provided by precision X-ray spectroscopy of transitions to low-lying states in light kaonic atoms like kaonic hydrogen and deuterium. After the successful completion of precision measurements on kaonic hydrogen and helium isotopes by SIDDHARTA at DAΦNE/LNF, new X-ray studies with the focus on kaonic deuterium are in preparation (SIDDHARTA2. In the future with kaonic deuterium data the antikaon-nucleon isospin-dependent scattering lengths can be extracted for the first time. An overview of the experimental results of SIDDHARTA and an outlook to future perspectives in the SIDDHARTA2 experiments in this frontier research field will be given.
Controlling interactions between highly magnetic atoms with Feshbach resonances.
Kotochigova, Svetlana
2014-09-01
This paper reviews current experimental and theoretical progress in the study of dipolar quantum gases of ground and meta-stable atoms with a large magnetic moment. We emphasize the anisotropic nature of Feshbach resonances due to coupling to fast-rotating resonant molecular states in ultracold s-wave collisions between magnetic atoms in external magnetic fields. The dramatic differences in the distribution of resonances of magnetic (7)S3 chromium and magnetic lanthanide atoms with a submerged 4f shell and non-zero electron angular momentum is analyzed. We focus on dysprosium and erbium as important experimental advances have been recently made to cool and create quantum-degenerate gases for these atoms. Finally, we describe progress in locating resonances in collisions of meta-stable magnetic atoms in electronic P-states with ground-state atoms, where an interplay between collisional anisotropies and spin-orbit coupling exists.
DEFF Research Database (Denmark)
Petrosyan, David; Molmer, Klaus
2013-01-01
We study two-photon excitation of Rydberg states of atoms under stimulated adiabatic passage with delayed laser pulses. We find that the combination of strong interaction between the atoms in Rydberg state and the spontaneous decay of the intermediate exited atomic state leads to the Rydberg exci...... for deterministic creation and, possibly, extraction of Rydberg atoms or ions one at a time. The sympathetic monitoring via decay of ancilla particles may find wider applications for state preparation and probing of interactions in dissipative many-body systems.......We study two-photon excitation of Rydberg states of atoms under stimulated adiabatic passage with delayed laser pulses. We find that the combination of strong interaction between the atoms in Rydberg state and the spontaneous decay of the intermediate exited atomic state leads to the Rydberg...
Tuttle, William D.; Thorington, Rebecca L.; Viehland, Larry A.; Breckenridge, W. H.; Wright, Timothy G.
2018-03-01
Accurate interatomic potentials were calculated for the interaction of a singly charged carbon cation, C+, with a single rare gas atom, RG (RG = Ne-Xe). The RCCSD(T) method and basis sets of quadruple-ζ and quintuple-ζ quality were employed; each interaction energy was counterpoise corrected and extrapolated to the basis set limit. The lowest C+(2P) electronic term of the carbon cation was considered, and the interatomic potentials calculated for the diatomic terms that arise from these: 2Π and 2Σ+. Additionally, the interatomic potentials for the respective spin-orbit levels were calculated, and the effect on the spectroscopic parameters was examined. In doing this, anomalously large spin-orbit splittings for RG = Ar-Xe were found, and this was investigated using multi-reference configuration interaction calculations. The latter indicated a small amount of RG → C+ electron transfer and this was used to rationalize the observations. This is taken as evidence of an incipient chemical interaction, which was also examined via contour plots, Birge-Sponer plots and various population analyses across the C+-RG series (RG = He-Xe), with the latter showing unexpected results. Trends in several spectroscopic parameters were examined as a function of the increasing atomic number of the RG atom. Finally, each set of RCCSD(T) potentials was employed, including spin-orbit coupling to calculate the transport coefficients for C+ in RG, and the results were compared with the limited available data. This article is part of the theme issue `Modern theoretical chemistry'.
Interaction mechanisms between ceramic particles and atomized metallic droplets
Wu, Yue; Lavernia, Enrique J.
1992-10-01
The present study was undertaken to provide insight into the dynamic interactions that occur when ceramic particles are placed in intimate contact with a metallic matrix undergoing a phase change. To that effect, Al-4 wt pct Si/SiCp composite droplets were synthesized using a spray atomization and coinjection approach, and their solidification microstructures were studied both qualitatively and quantitatively. The present results show that SiC particles (SiCp) were incor- porated into the matrix and that the extent of incorporation depends on the solidification con- dition of the droplets at the moment of SiC particle injection. Two factors were found to affect the distribution and volume fraction of SiC particles in droplets: the penetration of particles into droplets and the entrapment and/or rejection of particles by the solidification front. First, during coinjection, particles collide with the atomized droplets with three possible results: they may penetrate the droplets, adhere to the droplet surface, or bounce back after impact. The extent of penetration of SiC particles into droplets was noted to depend on the kinetic energy of the particles and the magnitude of the surface energy change in the droplets that occurs upon impact. In liquid droplets, the extent of penetration of SiC particles was shown to depend on the changes in surface energy, ΔEs, experienced by the droplets. Accordingly, large SiC particles encoun- tered more resistance to penetration relative to small ones. In solid droplets, the penetration of SiC particles was correlated with the dynamic pressure exerted by the SiC particles on the droplets during impact and the depth of the ensuing crater. The results showed that no pene- tration was possible in such droplets. Second, once SiC particles have penetrated droplets, their final location in the microstructure is governed by their interactions with the solidification front. As a result of these interactions, both entrapment and rejection of
Atomic and plasma-material interaction data for fusion. V. 3
International Nuclear Information System (INIS)
1992-01-01
This volume of Atomic and Plasma-Material Interaction Data for Fusion is devoted to atomic collision processes of helium atoms and of beryllium and boron atoms and ions in fusion plasmas. Most of the articles included in this volume are extended versions of the contributions presented at the IAEA experts' meetings on Atomic Data for Helium Beam Fusion Alpha Particle Diagnostics and on the Atomic Database for Beryllium and Boron, held in June 1991 at the IAEA headquarters in Vienna, or have resulted from the cross-section data analyses and evaluations performed by the working groups of these meetings. Refs, figs and tabs
Convergence of configuration-interaction single-center calculations of positron-atom interactions
International Nuclear Information System (INIS)
Mitroy, J.; Bromley, M. W. J.
2006-01-01
The configuration interaction (CI) method using orbitals centered on the nucleus has recently been applied to calculate the interactions of positrons interacting with atoms. Computational investigations of the convergence properties of binding energy, phase shift, and annihilation rate with respect to the maximum angular momentum of the orbital basis for the e + Cu and PsH bound states, and the e + -H scattering system were completed. The annihilation rates converge very slowly with angular momentum, and moreover the convergence with radial basis dimension appears to be slower for high angular momentum. A number of methods of completing the partial wave sum are compared; an approach based on a ΔX J =a(J+(1/2)) -n +b(J+(1/2)) -(n+1) form [with n=4 for phase shift (or energy) and n=2 for the annihilation rate] seems to be preferred on considerations of utility and underlying physical justification
Pacheco, Alexander B; Reyes, Andrés; Micha, David A
2006-10-21
The absorption of light during atomic collisions is treated by coupling electronic excitations, treated quantum mechanically, to the motion of the nuclei described within a short de Broglie wavelength approximation, using a density matrix approach. The time-dependent electric dipole of the system provides the intensity of light absorption in a treatment valid for transient phenomena, and the Fourier transform of time-dependent intensities gives absorption spectra that are very sensitive to details of the interaction potentials of excited diatomic states. We consider several sets of atomic expansion functions and atomic pseudopotentials, and introduce new parametrizations to provide light absorption spectra in good agreement with experimentally measured and ab initio calculated spectra. To this end, we describe the electronic excitation of the valence electron of excited alkali atoms in collisions with noble gas atoms with a procedure that combines l-dependent atomic pseudopotentials, including two- and three-body polarization terms, and a treatment of the dynamics based on the eikonal approximation of atomic motions and time-dependent molecular orbitals. We present results for the collision induced absorption spectra in the Li-He system at 720 K, which display both atomic and molecular transition intensities.
Petković, Milena; Nakarada, Đura; Etinski, Mihajlo
2018-05-25
Interacting Quantum Atoms methodology is used for a detailed analysis of hydrogen abstraction reaction from hydroquinone by methoxy radical. Two pathways are analyzed, which differ in the orientation of the reactants at the corresponding transition states. Although the discrepancy between the two barriers amounts to only 2 kJ/mol, which implies that the two pathways are of comparable probability, the extent of intra-atomic and inter-atomic energy changes differs considerably. We thus demonstrated that Interacting Quantum Atoms procedure can be applied to unravel distinct energy transfer routes in seemingly similar mechanisms. Identification of energy components with the greatest contribution to the variation of the overall energy (intra-atomic and inter-atomic terms that involve hydroquinone's oxygen and the carbon atom covalently bound to it, the transferring hydrogen and methoxy radical's oxygen), is performed using the Relative energy gradient method. Additionally, the Interacting Quantum Fragments approach shed light on the nature of dominant interactions among selected fragments: both Coulomb and exchange-correlation contributions are of comparable importance when considering interactions of the transferring hydrogen atom with all other atoms, whereas the exchange-correlation term dominates interaction between methoxy radical's methyl group and hydroquinone's aromatic ring. This study represents one of the first applications of Interacting Quantum Fragments approach on first order saddle points. © 2018 Wiley Periodicals, Inc. © 2018 Wiley Periodicals, Inc.
Interaction of Rydberg atoms with two contrapropagating ultrashort laser pulses
International Nuclear Information System (INIS)
Lugovskoy, A. V.; Bray, I.
2006-01-01
In this paper we investigate how Rydberg atoms respond to perturbation by two contrapropagating ultrashort laser pulses. We consider the case where the durations of both pulses τ 1 and τ 2 are shorter than the inverse of the initial-state energy ε i -1 . When acting alone such a pulse passes through the atom without noticeable alteration in the atomic state. The situation is different if two such pulses interfere in the region of atom localization. In this case the atomic response is significantly enhanced. This is due to the nonzero momentum transferred to the electron by the interplay of the electric field of one pulse and the magnetic field of the other. The sudden perturbation approximation is used to evaluate the transition probabilities. They are shown to depend on the atom position with respect to the pulse interference region. This dependence is determined by the relationship between the atomic diameter d i and the interference-region size l=c(τ 1 +τ 2 ) (c is the speed of light). If d i i >>l the transition probabilities are sensitive to the electron density distribution along the propagation direction. The probabilities of the initial-state destruction and atom ionization drop as l/d i irrespective of the characteristics of the pulses
Atom–atom interactions around the band edge of a photonic crystal waveguide
Hood, Jonathan D.; Goban, Akihisa; Asenjo-Garcia, Ana; Lu, Mingwu; Yu, Su-Peng; Chang, Darrick E.; Kimble, H. J.
2016-01-01
Tailoring the interactions between quantum emitters and single photons constitutes one of the cornerstones of quantum optics. Coupling a quantum emitter to the band edge of a photonic crystal waveguide (PCW) provides a unique platform for tuning these interactions. In particular, the cross-over from propagating fields E(x)∝e±ikxx outside the bandgap to localized fields E(x)∝e−κx|x| within the bandgap should be accompanied by a transition from largely dissipative atom–atom interactions to a regime where dispersive atom–atom interactions are dominant. Here, we experimentally observe this transition by shifting the band edge frequency of the PCW relative to the D1 line of atomic cesium for N¯=3.0±0.5 atoms trapped along the PCW. Our results are the initial demonstration of this paradigm for coherent atom–atom interactions with low dissipation into the guided mode. PMID:27582467
Frequency shifts in spontaneous emission from two interacting atoms
International Nuclear Information System (INIS)
James, D.F.V.
1993-01-01
A model radiating system consisting of two atoms in close proximity is analyzed. This system demonstrates the influence of spatial coherence on the spectrum of the radiation field. Explicit expressions for the degree of coherence, the source spectrum, and the spectrum of the radiation field are derived. The results are discussed in terms of Wolf's work [Phys. Rev. Lett. 56, 1370 (1986)] on this effect, which can be considered in terms of a multiple-atom analog of the effects of radiation reaction on a single atom, i.e., spontaneous decay and the Lamb shift
International Nuclear Information System (INIS)
Li Ke; Ling Weijun
2011-01-01
The information entropy properties of the atoms of coupled Λ-type three-level atoms interacting with coherent field are studied by means of quantum theory, and discussed the time evolutions of the information entropy of the atoms via the average photon number, initial state of the atoms, detuning, coupling constant between the atoms and the coefficient of Kerr medium. Numerical calculation results show that the time evolutions of the information entropy properties of the atoms strongly dependent on the initial state of the system and the average photon number. Detuning, coupling constant between the atoms and the Kerr coefficient still make influence on the information entropy of the atoms. (authors)
Elastic interactions between hydrogen atoms in metals. II. Elastic interaction energies
International Nuclear Information System (INIS)
Shirley, A.I.; Hall, C.K.
1986-01-01
The fully harmonic lattice approximation derived in a previous paper is used to calculate the elastic interaction energies in the niobium-hydrogen system. The permanent-direct, permanent-indirect, induced-direct, and induced-indirect forces calculated previously each give rise to a corresponding elastic interaction between hydrogen atoms. The latter three interactions have three- and four-body terms in addition to the usual two-body terms. These quantities are calculated and compared with the corresponding two-body permanent elastic interactions obtained in the harmonic-approximation treatment of Horner and Wagner. The results show that the total induced elastic energy is approximately (1/3) the size of the total permanent elastic energy and opposite to it in sign. The total elastic energy due to three-body interactions is approximately (1/4) the size of the total two-body elastic energy, while the total four-body elastic energy is approximately 5% of the total two-body energy. These additional elastic energies are expected to have a profound effect on the thermodynamic and phase-change behavior of a metal hydride
Graphene as a flexible template for controlling magnetic interactions between metal atoms.
Lee, Sungwoo; Kim, Dongwook; Robertson, Alex W; Yoon, Euijoon; Hong, Suklyun; Ihm, Jisoon; Yu, Jaejun; Warner, Jamie H; Lee, Gun-Do
2017-03-01
Metal-doped graphene produces magnetic moments that have potential application in spintronics. Here we use density function theory computational methods to show how the magnetic interaction between metal atoms doped in graphene can be controlled by the degree of flexure in a graphene membrane. Bending graphene by flexing causes the distance between two substitutional Fe atoms covalently bonded in graphene to gradually increase and these results in the magnetic moment disappearing at a critical strain value. At the critical strain, a carbon atom can enter between the two Fe atoms and blocks the interaction between relevant orbitals of Fe atoms to quench the magnetic moment. The control of interactions between doped atoms by exploiting the mechanical flexibility of graphene is a unique approach to manipulating the magnetic properties and opens up new opportunities for mechanical-magnetic 2D device systems.
Intershell interaction in excited atom and ion photoionization
International Nuclear Information System (INIS)
Amusia, M.Ya.; Avdonina, N.B.
1989-01-01
It is demonstrated, that the photoionization cross section of an excited electron in Cs atom isoelectronic sequence acquire additional structure if the virtual polarization of the core by the incident photon is taken into account. (orig.)
Long-range interactions of excited He atoms with the alkaline earth atoms Mg, Ca, and Sr
Zhang, J.-Y.; Babb, J. F.; Mitroy, J.; Sadeghpour, H. R.; Schwingenschlö gl, Udo; Yan, Z.-C.
2013-01-01
Dispersion coefficients for the long-range interactions of the first four excited states of He, i.e., He(2 1, 3 S) and He(2 1, 3 P), with the low-lying states of the alkaline earth atoms Mg, Ca, and Sr are calculated by summing over the reduced matrix elements of multipole transition operators.
Long-range interactions of excited He atoms with the alkaline earth atoms Mg, Ca, and Sr
Zhang, J.-Y.
2013-04-05
Dispersion coefficients for the long-range interactions of the first four excited states of He, i.e., He(2 1, 3 S) and He(2 1, 3 P), with the low-lying states of the alkaline earth atoms Mg, Ca, and Sr are calculated by summing over the reduced matrix elements of multipole transition operators.
Directory of Open Access Journals (Sweden)
Finkelstein Alexei V
2007-07-01
Full Text Available Abstract Background The prediction of ligand binding or protein structure requires very accurate force field potentials – even small errors in force field potentials can make a 'wrong' structure (from the billions possible more stable than the single, 'correct' one. However, despite huge efforts to optimize them, currently-used all-atom force fields are still not able, in a vast majority of cases, even to keep a protein molecule in its native conformation in the course of molecular dynamics simulations or to bring an approximate, homology-based model of protein structure closer to its native conformation. Results A strict analysis shows that a specific coupling of multi-atom Van der Waals interactions with covalent bonding can, in extreme cases, increase (or decrease the interaction energy by about 20–40% at certain angles between the direction of interaction and the covalent bond. It is also shown that on average multi-body effects decrease the total Van der Waals energy in proportion to the square root of the electronic component of dielectric permittivity corresponding to dipole-dipole interactions at small distances, where Van der Waals interactions take place. Conclusion The study shows that currently-ignored multi-atom Van der Waals interactions can, in certain instances, lead to significant energy effects, comparable to those caused by the replacement of atoms (for instance, C by N in conventional pairwise Van der Waals interactions.
International Nuclear Information System (INIS)
Fuchs, Alain; Villani, Cedric; Guthleben, Denis; Leduc, Michele; Brenner, Anastasios; Pouthas, Joel; Perrin, Jean
2014-01-01
Completed by recent contributions on various topics (atoms and the Brownian motion, the career of Jean Perrin, the evolution of atomic physics since Jean Perrin, relationship between scientific atomism and philosophical atomism), this book is a reprint of a book published at the beginning of the twentieth century in which the author addressed the relationship between atomic theory and chemistry (molecules, atoms, the Avogadro hypothesis, molecule structures, solutes, upper limits of molecular quantities), molecular agitation (molecule velocity, molecule rotation or vibration, molecular free range), the Brownian motion and emulsions (history and general features, statistical equilibrium of emulsions), the laws of the Brownian motion (Einstein's theory, experimental control), fluctuations (the theory of Smoluchowski), light and quanta (black body, extension of quantum theory), the electricity atom, the atom genesis and destruction (transmutations, atom counting)
Ramsey interferometry with a two-level generalized Tonks-Girardeau gas
International Nuclear Information System (INIS)
Mousavi, S. V.; Campo, A. del; Lizuain, I.; Muga, J. G.
2007-01-01
We propose a solvable generalization of the Tonks-Girardeau model that describes a coherent one-dimensional (1D) gas of cold two-level bosons which interact with two external fields in a Ramsey interferometer. They also interact among themselves by idealized, infinitely strong contact potentials, with interchange of momentum and internal state. We study the corresponding Ramsey fringes and the quantum projection noise which, essentially unaffected by the interactions, remains that for ideal bosons. The dual system of this gas, an ideal gas of two-level fermions coupled by the interaction with the separated fields, produces the same fringes and noise fluctuations. The cases of time-separated and spatially separated fields are studied. For spatially separated fields the fringes may be broadened slightly by increasing the number of particles, but only for large particle numbers far from present experiments with Tonks-Girardeau gases. The uncertainty in the determination of the atomic transition frequency diminishes, essentially with the inverse root of the particle number. The difficulties to implement the model experimentally and possible shortcomings of strongly interacting 1D gases for frequency standards and atomic clocks are discussed
Atomic oxygen-MoS sub 2 chemical interactions
Energy Technology Data Exchange (ETDEWEB)
Cross, J.B.; Martin, J.A. (Los Alamos National Lab., NM (USA)); Pope, L.E. (Sandia National Labs., Albuquerque, NM (USA)); Koontz, S.L. (National Aeronautics and Space Administration, Johnson Space Center, Houston, TX (USA))
1990-10-01
The present study shows that an O-atom translation energy of 1.5 eV, SO{sub 2} is generated and outgases from an anhydrous MoS{sub 2} surface with an initial reactivity nearly 50% that of kapton. The reaction of atomic oxygen with MoS{sub 2} has little or no translational energy barrier, i.e. thermally generated atomic oxygen reacts as readily as that having 1.5 eV of translational energy. For MoS{sub 2} films sputter-deposited at 50-70deg C, friction measurements showed a high initial friction coefficient (up to 0.25) for MoS{sub 2} surfaces exposed to atomic oxygen, which dropped to the normal low values after several cycles of operation in air and ultrahigh vacuum. For MoS{sub 2} films deposited at 200deg C, the friction coefficient was not affected by the O-atom exposure. (orig.).
Decoherence-Free Interaction between Giant Atoms in Waveguide Quantum Electrodynamics.
Kockum, Anton Frisk; Johansson, Göran; Nori, Franco
2018-04-06
In quantum-optics experiments with both natural and artificial atoms, the atoms are usually small enough that they can be approximated as pointlike compared to the wavelength of the electromagnetic radiation with which they interact. However, superconducting qubits coupled to a meandering transmission line, or to surface acoustic waves, can realize "giant artificial atoms" that couple to a bosonic field at several points which are wavelengths apart. Here, we study setups with multiple giant atoms coupled at multiple points to a one-dimensional (1D) waveguide. We show that the giant atoms can be protected from decohering through the waveguide, but still have exchange interactions mediated by the waveguide. Unlike in decoherence-free subspaces, here the entire multiatom Hilbert space (2^{N} states for N atoms) is protected from decoherence. This is not possible with "small" atoms. We further show how this decoherence-free interaction can be designed in setups with multiple atoms to implement, e.g., a 1D chain of atoms with nearest-neighbor couplings or a collection of atoms with all-to-all connectivity. This may have important applications in quantum simulation and quantum computing.
Decoherence-Free Interaction between Giant Atoms in Waveguide Quantum Electrodynamics
Kockum, Anton Frisk; Johansson, Göran; Nori, Franco
2018-04-01
In quantum-optics experiments with both natural and artificial atoms, the atoms are usually small enough that they can be approximated as pointlike compared to the wavelength of the electromagnetic radiation with which they interact. However, superconducting qubits coupled to a meandering transmission line, or to surface acoustic waves, can realize "giant artificial atoms" that couple to a bosonic field at several points which are wavelengths apart. Here, we study setups with multiple giant atoms coupled at multiple points to a one-dimensional (1D) waveguide. We show that the giant atoms can be protected from decohering through the waveguide, but still have exchange interactions mediated by the waveguide. Unlike in decoherence-free subspaces, here the entire multiatom Hilbert space (2N states for N atoms) is protected from decoherence. This is not possible with "small" atoms. We further show how this decoherence-free interaction can be designed in setups with multiple atoms to implement, e.g., a 1D chain of atoms with nearest-neighbor couplings or a collection of atoms with all-to-all connectivity. This may have important applications in quantum simulation and quantum computing.
Darboux transformation for two-level system
Energy Technology Data Exchange (ETDEWEB)
Bagrov, V.; Baldiotti, M.; Gitman, D.; Shamshutdinova, V. [Instituto de Fisica, Universidade de Sao Paulo, Caixa Postal 66318-CEP, 05315-970 Sao Paulo, S.P. (Brazil)
2005-06-01
We develop the Darboux procedure for the case of the two-level system. In particular, it is demonstrated that one can construct the Darboux intertwining operator that does not violate the specific structure of the equations of the two-level system, transforming only one real potential into another real potential. We apply the obtained Darboux transformation to known exact solutions of the two-level system. Thus, we find three classes of new solutions for the two-level system and the corresponding new potentials that allow such solutions. (Abstract Copyright [2005], Wiley Periodicals, Inc.)
A Waveguide Platform for Collective Light-Atom Interaction
DEFF Research Database (Denmark)
Sørensen, Heidi Lundgaard
is compared against a prediction derived from a numerical model build upon an easy experimental calibration of the viscosity profile within the heater. Very good agreement between the modeled and measured fiber shape is found. We next study the coherent back-scattering off atoms confined as two one......-dimensional strings in the evanescent field of a tapered optical fiber. By applying a near-resonant standing wave field, the atoms are arranged into a periodic Bragg structure in close analogy to a photo-refractive medium with a refractive index grating. We observe more than 10% power reflection off about 1000...
Atomic and plasma-material interaction data for fusion. Vol.1
International Nuclear Information System (INIS)
1991-01-01
The International Atomic Energy Agency, through its Atomic and Molecular Data Unit, coordinates a wide spectrum of programmes for the compilation, evaluation, and generation of atomic, molecular, and plasma-wall interaction data for fusion research. The present, first, volume of Atomic and Plasma-Material Interaction Data for Fusion, contains extended versions of the reviews presented at the IAEA Advisory Group Meeting on Particle-Surface Interaction Data for Fusion, held 19-21 April 1989 at the IAEA Headquarters in Vienna, The plasma-wall interaction processes covered here are those considered most important for the operational performance of magnetic confinement fusion reactors. In addition to processes due to particle impact under normal operation, plasma-wall interaction effects due to off-normal plasma events (disruptions, electron runaway bombardment) are covered, and a summary of the status of data information on these processes is given from the point of view of magnetic fusion reactor design. Refs, figs and tabs
Atomic forces between noble gas atoms, alkali ions, and halogen ions for surface interactions
Wilson, J. W.; Outlaw, R. A.; Heinbockel, J. H.
1988-01-01
The components of the physical forces between noble gas atoms, alkali ions, and halogen ions are analyzed and a data base developed from analysis of the two-body potential data, the alkali-halide molecular data, and the noble gas crystal and salt crystal data. A satisfactory global fit to this molecular and crystal data is then reproduced by the model to within several percent. Surface potentials are evaluated for noble gas atoms on noble gas surfaces and salt crystal surfaces with surface tension neglected. Within this context, the noble gas surface potentials on noble gas and salt crystals are considered to be accurate to within several percent.
Dark Entangled Steady States of Interacting Rydberg Atoms
DEFF Research Database (Denmark)
Dasari, Durga; Mølmer, Klaus
2013-01-01
their short-lived excited states lead to rapid, dissipative formation of an entangled steady state. We show that for a wide range of physical parameters, this entangled state is formed on a time scale given by the strengths of coherent Raman and Rabi fields applied to the atoms, while it is only weakly...
Inelastic Processes in the Interaction of an Atom with an Ultrashort Electromagnetic Pulse
International Nuclear Information System (INIS)
Matveev, V.I.; Gusarevich, E.S.; Pashev, I.N.
2005-01-01
Electron transitions occurring during the interaction of a heavy relativistic atom with a spatially inhomogeneous ultrashort electromagnetic pulse are considered by solving the Dirac equation. The corresponding transition probabilities are expressed in terms of known inelastic atomic form factors, which are widely used in the theory of relativistic collisions between charged particles and atoms. By way of example, the inelastic processes accompanying the interaction of ultrashort pulses with hydrogen-like atoms are considered. The probabilities of ionization and production of a bound-free electron-positron pair on a bare nucleus, which are accompanied by the formation of a hydrogen-like atom in the final state and a positron in the continuum, are calculated. The developed technique makes it possible to take into account exactly not only the spatial inhomogeneity of an ultrashort electromagnetic pulse, but also the magnetic interaction
Santhanam, K S V; Chen, Xu; Gupta, S
2014-04-01
Ab initio studies of ferromagnetic atom interacting with carbon nanotubes have been reported in the literature that predict when the interaction is strong, a higher hybridization with confinement effect will result in spin polarization in the ferromagnetic atom. The spin polarization effect on the thermal oxidation to form its oxide is modeled here for the ferromagnetic atom and its alloy, as the above studies predict the 4s electrons are polarized in the atom. The four models developed here provide a pathway for distinguishing the type of interaction that exists in the real system. The extent of spin polarization in the ferromagnetic atom has been examined by varying the amount of carbon nanotubes in the composites in the thermogravimetric experiments. In this study we report the experimental results on the CoNi alloy which appears to show selective spin polarization. The products of the thermal oxidation has been analyzed by Fourier Transform Infrared Spectroscopy.
Estimation of atomic interaction parameters by photon counting
DEFF Research Database (Denmark)
Kiilerich, Alexander Holm; Mølmer, Klaus
2014-01-01
Detection of radiation signals is at the heart of precision metrology and sensing. In this article we show how the fluctuations in photon counting signals can be exploited to optimally extract information about the physical parameters that govern the dynamics of the emitter. For a simple two......-level emitter subject to photon counting, we show that the Fisher information and the Cram\\'er- Rao sensitivity bound based on the full detection record can be evaluated from the waiting time distribution in the fluorescence signal which can, in turn, be calculated for both perfect and imperfect detectors...
Engineering the Dynamics of Effective Spin-Chain Models for Strongly Interacting Atomic Gases
DEFF Research Database (Denmark)
Volosniev, A. G.; Petrosyan, D.; Valiente, M.
2015-01-01
We consider a one-dimensional gas of cold atoms with strong contact interactions and construct an effective spin-chain Hamiltonian for a two-component system. The resulting Heisenberg spin model can be engineered by manipulating the shape of the external confining potential of the atomic gas. We...
Taber, Keith S.
2013-01-01
Comparing the atom to a "tiny solar system" is a common teaching analogy, and the extent to which learners saw the systems as analogous was investigated. English upper secondary students were asked parallel questions about the physical interactions between the components of a simple atomic system and a simple solar system to investigate…
A model for the interaction between F centers and H atoms in ionic crystals
International Nuclear Information System (INIS)
Dumke, V.R.; Souza, M. de
1975-01-01
The interaction between an F center and neutral hydrogen atoms, the most simple paramagnetic defects in ionic crystals, is described in terms of a perturbation theory of two square potential wells. The good agreement with experimental data indicates that lattice distortion due to the presence of the hydrogen atoms is negligible [pt
Dynamic evolution of double Λ five-level atom interacting with one ...
Indian Academy of Sciences (India)
Home; Journals; Pramana – Journal of Physics; Volume 89; Issue 6. Dynamic evolution ... Five-level atom; squeezing; collapse revivals. Abstract. In this paper, the model describing a double Λ five-level atom interacting with a single mode electromagnetic cavity field in the (off) non-resonate case is studied. We obtained the ...
You, Y.; Yan, M. F.
2013-05-01
C and N atoms are the most frequent foreign interstitial atoms (FIAs), and often incorporated into the surface layers of steels to enhance their properties by thermochemical treatments. Al, Si, Ti, V, Cr, Mn, Co, Ni, Cu, Nb and Mo are the most common alloying elements in steels, also can be called foreign substitutional atoms (FSAs). The FIA and FSA interactions play an important role in the diffusion of C and N atoms, and the microstructures and mechanical properties of surface modified layers. Ab initio calculations based on the density functional theory are carried out to investigate FIA interactions with FSA in ferromagnetic bcc iron. The FIA-FSA interactions are analyzed systematically from five aspects, including interaction energies, density of states (DOS), bond populations, electron density difference maps and local magnetic moments.
Long-range dispersion interactions. I. Formalism for two heteronuclear atoms
International Nuclear Information System (INIS)
Zhang, J.-Y.; Mitroy, J.
2007-01-01
A general procedure for systematically evaluating the long-range dispersion interaction between two heteronuclear atoms in arbitrary states is outlined. The C 6 dispersion parameter can always be written in terms of sum rules involving oscillator strengths only and formulas for a number of symmetry cases are given. The dispersion coefficients for excited alkali-metal atoms interacting with the ground-state H and He are tabulated
Long-range interactions between excited helium and alkali-metal atoms
Zhang, J.-Y.; Schwingenschlö gl, Udo; Shi, T.-Y.; Tang, L.-Y.; Yan, Z.-C.
2012-01-01
–5% in the coefficient C6, and 1–10% in the coefficients C8 and C10. The dispersion coefficients Cn for the interaction of He(2 1,3S) and He(2 1,3P) with the ground-state alkali-metal atoms and for the interaction of He(2 1,3S) with the alkali-metal atoms in their first
Atomic and plasma-material interaction data for fusion. V. 6
International Nuclear Information System (INIS)
1995-01-01
Volume 6 of the supplement ''atomic and plasma-material interaction data for fusion'' to the journal ''Nuclear Fusion'' includes critical assessments and results of original experimental and theoretical studies on inelastic collision processes among the basic and dominant impurity constituents of fusion plasmas. Processes considered in the 15 papers constituting this volume are: electron impact excitation of excited Helium atoms, electron impact excitation and ionization of plasma impurity ions and atoms, electron-impurity-ion recombination and excitation, ionization and electron capture in collisions of plasma protons and impurity ions with the main fusion plasma neutral components helium and atomic and molecular hydrogen. Refs, figs, tabs
International Nuclear Information System (INIS)
Wiorkowski, P.; Walther, H.
1990-01-01
Modern methods of laser spectroscopy allow the study of single atoms or ions in an unperturbed environment. This has opened up interesting new experiments, among them the detailed study of radiation-atom coupling. In this paper, the following two experiments dealing with this problem are reviewed: the single-atom maser and the study of the resonance fluorescence of a single stored ion. The simplest and most fundamental system for studying radiation-matter coupling is a single two-level atom interacting with a single mode of an electromagnetic field in a cavity. This problem received a great deal of attention shortly after the maser was invented
Spin-rotation interaction of alkali-metal endash He-atom pairs
International Nuclear Information System (INIS)
Walker, T.G.; Thywissen, J.H.; Happer, W.
1997-01-01
A treatment of the spin-rotation coupling between alkali-metal atoms and He atoms is presented. Rotational distortions are accounted for in the wave function using a Coriolis interaction in the rotating frame. The expectation value of the spin-orbit interaction gives values of the spin-rotation coupling that explain previous experimental results. For spin-exchange optical pumping, the results suggest that lighter alkali-metal atoms would be preferred spin-exchange partners, other factors being equal. copyright 1997 The American Physical Society
Emission and electron transitions in an atom interacting with an ultrashort electromagnetic pulse
International Nuclear Information System (INIS)
Matveev, V.I.
2003-01-01
Electron transitions and emission of an atom interacting with a spatially inhomogeneous ultrashort electromagnetic pulse are considered. The excitation and ionization probabilities are obtained as well as the spectra and cross sections of the reemission of such a pulse by atoms. By way of an example, one- and two-electron inelastic processes accompanying the interaction of ultrashort pulses with hydrogen- and helium-like atoms are considered. The developed technique makes it possible to take into account exactly the spatial nonuniformity of the ultrashort pulse field and photon momenta in the course of reemission
Dispersion interaction between an atom and linear molecule
International Nuclear Information System (INIS)
Carvalho, I.L. de
1987-01-01
The Jacobi-Csanak method is adapted to the calculation of the dipole-dipole, dipole-quadrupole, quadrupole-dipole, and quadrupole-quadrupole terms of the dispersion energy of an atom-linear molecule system. The angle-dependent parts of the Born amplitudes for the linear molecule are represented by real spherical harmonics. The dispersion energy is finite at all distances and reproduces the usual expression in the asymptotic region (R≥4.7 (angstrom)). In the intermediary region (2.4(angstrom) ≤ R [pt
International Nuclear Information System (INIS)
Fabre, Claude
2003-01-01
This document contains two nearly identical courses on the interaction between matter and electromagnetic radiation. The second one addresses a few more issues in sub-paragraphs, but follows the same organisation and plan. A first part addresses tools in quantum optics. It presents phenomenological approaches (the Lorentz and Einstein models), the semi-conventional approach (isolated atom, effect of the environment with the Bloch equations, interaction with a non-monochromatic field, oscillator force), the quantum description of the free electromagnetic field (corpuscular aspect of the thermal radiation field, decomposition of the conventional electromagnetic field into modes, quantification of free radiation, radiation kinetic moment and pulse, radiation stationary states, value of the electric field in a quantum state), the interaction between atom and quantum field (interaction Hamiltonian, interaction process, photo-detection). The second part addresses some phenomena of quantum optics such as spontaneous emission, quasi-resonant interactions in two-level systems, three-level systems, fluctuations and correlations in the matter-radiation interaction. Appendices contain elements on atom structure, and on the density matrix
Coherence and fluctuations in the interaction between moving atoms and a quantum field
International Nuclear Information System (INIS)
Hu, B.L.; Raval, A.
1998-01-01
Mesoscopic physics deals with three fundamental issues: quantum coherence, fluctuations and correlations. Here we analyze these issues for atom optics, using a simplified model of an assembly of atoms (or detectors, which are particles with some internal degree of freedom) moving in arbitrary trajectories in a quantum field. Employing the influence functional formalism, we study the self-consistent effect of the field on the atoms, and their mutual interactions via coupling to the field. We derive the coupled Langevin equations for the atom assemblage and analyze the relation of dissipative dynamics of the atoms (detectors) with the correlation and fluctuations of the quantum field. This provides a useful theoretical framework for analysing the coherent properties of atom-field systems. (author)
International Nuclear Information System (INIS)
Auffray, J.P.
1997-01-01
The atom through centuries, has been imagined, described, explored, then accelerated, combined...But what happens truly inside the atom? And what are mechanisms who allow its stability? Physicist and historian of sciences, Jean-Paul Auffray explains that these questions are to the heart of the modern physics and it brings them a new lighting. (N.C.)
Toward a Rigorous Definition of a Strength of Any Interaction Between Bader's Atomic Basins.
Ananyev, Ivan V; Karnoukhova, Valentina A; Dmitrienko, Artem O; Lyssenko, Konstantin A
2017-06-15
Strength of interaction between Bader's atomic basins, enclosed by zero-flux surfaces of electron distribution, was proposed to be a measure of elastic deformation of an interaction. The set containing 53 atomic aggregate and covering all range of interaction strength (from van der Waals interactions to triple covalent bonds) was calculated by DFT and perturbation theory methods. Further analysis was performed to seek correlations between various local quantities based on electron density and effective force constants of stretching diatomic vibrations. The linear trend between effective force constants and the potential energy density at the (3, -1) critical point of electron distribution was found. This correlation was improved by the integration of the potential energy density over an interbasin zero-flux surface of electron density. Simple mechanical explanation of established trends is presented. The correlations can be further used to at least semiquantitatively compare any pair of interactions between Bader's atomic basins.
International Nuclear Information System (INIS)
Li, Xiaowei; Wang, Aiying; Lee, Kwang-Ryeol
2012-01-01
The interaction between impurity atom (Si, Ge, and Sn) and carbon atom in diamond-like carbon (DLC) system was investigated by the first principles simulation method based on the density functional theory. The tetrahedral configuration was selected as the calculation model for simplicity. When the bond angle varied in a range of 90°–130° from the equivalent state of 109.471°, the distortion energy and the electronic structures including charge density of the highest occupied molecular orbital (HOMO) and partial density of state (PDOS) in the different systems were calculated. The results showed that the addition of Si, Ge and Sn atom into amorphous carbon matrix significantly decreased the distortion energy of the system as the bond angles deviated from the equilibrium one. Further studies of the HOMO and PDOS indicated that the weak covalent bond between Si(Ge, Sn) and C atoms was formed with the decreased strength and directionality, which were influenced by the electronegative difference. These results implied that the electron transfer behavior at the junction of carbon nano-devices could be tailored by the impurity element, and the compressive stress in DLC films could be reduced by the incorporation of Si, Ge and Sn because of the formation of weaker covalent bonds. - Highlights: ►Distortion energy after bond angle distortion was decreased comparing with C-C unit. ►The weak covalent bond was formed between impurity atoms and corner carbon atoms. ►Observed electron transfer behavior affected the strength and directionality of bond. ►Reduction of strength and directionality of bond contributed to small energy change.
Ion mobilities and ion-atom interaction potentials
International Nuclear Information System (INIS)
Gatland, I.R.
1982-01-01
The techniques for measuring the mobilities of ions in gases, relating interaction potentials to mobilities, and determining potentials from experimental mobilities are reviewed. Applications are presented for positive alkali ions and negative halogen ions in inert gases. (Auth.)
Energetic Analysis of Conjugated Hydrocarbons Using the Interacting Quantum Atoms Method.
Jara-Cortés, Jesús; Hernández-Trujillo, Jesús
2018-07-05
A number of aromatic, antiaromatic, and nonaromatic organic molecules was analyzed in terms of the contributions to the electronic energy defined in the quantum theory of atoms in molecules and the interacting quantum atoms method. Regularities were found in the exchange and electrostatic interatomic energies showing trends that are closely related to those of the delocalization indices defined in the theory. In particular, the CC interaction energies between bonded atoms allow to rationalize the energetic stabilization associated with the bond length alternation in conjugated polyenes. This approach also provides support to Clar's sextet rules devised for aromatic systems. In addition, the H⋯H bonding found in some of the aromatic molecules studied was of an attractive nature, according to the stabilizing exchange interaction between the bonded H atoms. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.
Inelastic processes in interaction of an atom with ultrashort pulse of an electromagnetic field
International Nuclear Information System (INIS)
Matveev, V.I.; Gusarevich, E.S.; Pashev, I.N.
2005-01-01
Electron transitions occurring when a heavy relativistic atom interacts with a spatially inhomogeneous ultrashort electromagnetic pulse are considered. Transition probabilities are expressed in terms of the known inelastic atomic form factors. By way of example, the inelastic processes accompanying the interaction of ultrashort pulses with hydrogen-like atoms are considered. The probabilities of ionization and production of a bound-free electron-positron pair on a bare nucleus, which are accompanied by the formation of a hydrogen-like atom in the final state and a positron in the continuum, are calculated. The developed technique makes it possible to take into exact account magnetic interaction besides spatial inhomogeneity of an ultrashort electromagnetic pulse [ru
Theoretical investigation of electron-positive ion/atom interactions
International Nuclear Information System (INIS)
Msezane, A.Z.
1992-01-01
Very brief summaries are given on three research topics. Electron impact elastic, excitation, and total cross sections for K were investigated by using elaborate Cl target wave functions in the close-coupling approximation. Photoionization cross sections from ground-state Na were calculated near the 2s 2 2p 5 3s and 2s2p 6 3s inner-shell thresholds; also, the photoionization cross sections of excited 3p 2 P o and 3d 2 D states were calculated with the R-matrix methodology near the 2s2p 6 3s thresholds. A numerical approach was developed to calculate the charge transfer matrix elements for ion-atom(ion) collisions; this was used for the proton-hydrogen collision problem as an illustration
Coherence and decoherence in the interaction of light with atoms
Carmichael, H. J.
1997-12-01
Amplification without population inversion in a resonant V-type atomic medium is analyzed using the theory of quantum trajectories. A global view of the dynamics underlying the amplification is provided by a quantum stochastic process governing an interplay between coherence and decoherence. The quantum trajectories decompose into distinct ``gain cycles'' and ``loss cycles'' which determine, respectively, the emission and absorption spectra that might be calculated from perturbation theory. Two methods for calculating net gain are developed, motivated by complementary views of the exchange of energy between an atom and a probe field. One time averages the energy radiated continuously by the induced dipole, while the other determines probabilities for discontinuous energy exchange through the emission and absorption of individual quanta. In the latter case, the emission and absorption probabilities are evaluated as sums over probabilities for classical records that define the unobservable exchange of a quantum with the probe field in terms of observable scattering events. Quantum trajectories for a V-type medium driven by a coherent field are compared with those for a medium driven incoherently. Two relationships which connect amplification to population inversion in the latter case are shown to be lacking in the former; hence the possibility for amplification without population inversion arises from the following: (1) a decoupling of the rate of gain-cycle (loss-cycle) initiation from the time-averaged population in the initial state for gain (loss), and (2) loss of the symmetry that the final state for emission be the initial state for absorption and vice versa. The specific influences of these general observations vary from model to model. The details are worked out for the resonant V-type medium, where the quantum trajectory analysis sheds light on the meaning of ``without population inversion'' and ``cancellation of absorption by quantum interference.''
International Nuclear Information System (INIS)
Gainutdinov, R Kh; Mutygullina, A A
2009-01-01
We discuss the interaction of an atom subject to an intense driving laser field with its own radiation field. In contrast to the states of bare atoms, the energy difference between some dressed states with the same total angular momentum, its projection and parity may be very small. The self-interaction of a combined atom-laser system associated with nonradiative transitions between such states is effectively strong. We show that the contribution to the radiative shift of the sidebands of the Mollow spectrum, which comes from such processes, is very significant and may be much larger than the trivial Lamb shift, which is the simple redistribution of the Lamb shifts of the corresponding bare states. In the final part, we discuss the possibility that in the Mollow spectrum nonlocality of electromagnetic interaction, which in other cases is hidden in the regularization and renormalization procedures, can manifest itself explicitly.
International Nuclear Information System (INIS)
Grechukhin, D.P.; Soldatov, A.A.
1977-01-01
The intensity of the satellite lines of the 2s1/2→1s1/2 radiative transition in a mesic atom due to configurational interaction between the meson and shell electrons of the mesic atom is estimated. The intensity of these satellite lines is shown to be about six orders of magnitude greater than the intensity of the emission in the 2s1/2→1s1/2 meson transition. Configurational interaction between the meson and conductivity band electrons in metals precludes the usage of a metal target for stopping the mesons in the experiment. Estimates show that for mesic atoms produced in a gas the Stark effect of the electric dipole field induced in collisions between atoms of the medium and a mesic atom (Z>=2) stripped of electrons significantly restricts the density of the medium from above such that the density is 14 at/cm 3 ; in the case of the Stark effect of the intra-atomic field and collisions between a μH atom and atoms of the medium the corresponding value is 11 at/cm 3
Resonance interaction energy between two entangled atoms in a photonic bandgap environment.
Notararigo, Valentina; Passante, Roberto; Rizzuto, Lucia
2018-03-26
We consider the resonance interaction energy between two identical entangled atoms, where one is in the excited state and the other in the ground state. They interact with the quantum electromagnetic field in the vacuum state and are placed in a photonic-bandgap environment with a dispersion relation quadratic near the gap edge and linear for low frequencies, while the atomic transition frequency is assumed to be inside the photonic gap and near its lower edge. This problem is strictly related to the coherent resonant energy transfer between atoms in external environments. The analysis involves both an isotropic three-dimensional model and the one-dimensional case. The resonance interaction asymptotically decays faster with distance compared to the free-space case, specifically as 1/r 2 compared to the 1/r free-space dependence in the three-dimensional case, and as 1/r compared to the oscillatory dependence in free space for the one-dimensional case. Nonetheless, the interaction energy remains significant and much stronger than dispersion interactions between atoms. On the other hand, spontaneous emission is strongly suppressed by the environment and the correlated state is thus preserved by the spontaneous-decay decoherence effects. We conclude that our configuration is suitable for observing the elusive quantum resonance interaction between entangled atoms.
Interaction of attosecond electromagnetic pulses with atoms: The exactly solvable model
International Nuclear Information System (INIS)
Popov, Yu. V.; Kouzakov, K. A.; Vinitsky, S. I.; Gusev, A. A.
2007-01-01
We consider the exactly solvable model of interaction of zero-duration electromagnetic pulses with an atom. The model has a number of peculiar properties which are outlined in the cases of a single pulse and two opposite pulses. In perspective, it can be useful in different fields of physics involving interaction of attosecond laser pulses with quantum systems
Transport properties for some atom-ion interactions in air
International Nuclear Information System (INIS)
Biolsi, L.; Holland, P.M.; Procter and Gamble Co., Cincinnati, OH)
1985-01-01
The thermal conductivity and viscosity for the N-N(+) and O-O(+) interactions have been calculated, using the kinetic theory of gases, from 500 K-20,000 K. Accurate spectroscopically determined potentials have been used for the calculations. The results are compared with previous results obtained using less accurate potentials. 62 references
Continuous atom laser with Bose-Einstein condensates involving three-body interactions
Energy Technology Data Exchange (ETDEWEB)
Carpentier, A V; Michinel, H; Novoa, D [Area de Optica, Facultade de Ciencias de Ourense, Universidade de Vigo, As Lagoas s/n, Ourense, ES-32004 (Spain); Olivieri, D N, E-mail: avcarpentier@uvigo.e [Area de Linguaxes e sistemas informaticos, Escola Superior de EnxenerIa Informatica, Universidade de Vigo, As Lagoas s/n, Ourense, ES-32004 (Spain)
2010-05-28
We demonstrate, through numerical simulations, the emission of a coherent continuous matter wave of constant amplitude from a Bose-Einstein condensate in a shallow optical dipole trap. The process is achieved by spatial control of the variations of the scattering length along the trapping axis, including elastic three-body interactions due to dipole interactions. In our approach, the outcoupling mechanism is atomic interactions, and thus, the trap remains unaltered. We calculate analytically the parameters for the experimental implementation of this continuous wave atom laser.
Maxwell, Peter I; Popelier, Paul L A
2017-11-05
Accurate description of the intrinsic preferences of amino acids is important to consider when developing a biomolecular force field. In this study, we use a modern energy partitioning approach called Interacting Quantum Atoms to inspect the cause of the φ and ψ torsional preferences of three dipeptides (Gly, Val, and Ile). Repeating energy trends at each of the molecular, functional group, and atomic levels are observed across both (1) the three amino acids and (2) the φ/ψ scans in Ramachandran plots. At the molecular level, it is surprisingly electrostatic destabilization that causes the high-energy regions in the Ramachandran plot, not molecular steric hindrance (related to the intra-atomic energy). At the functional group and atomic levels, the importance of key peptide atoms (O i -1 , C i , N i , N i +1 ) and some sidechain hydrogen atoms (H γ ) are identified as responsible for the destabilization seen in the energetically disfavored Ramachandran regions. Consistently, the O i -1 atoms are particularly important for the explanation of dipeptide intrinsic behavior, where electrostatic and steric destabilization unusually complement one another. The findings suggest that, at least for these dipeptides, it is the peptide group atoms that dominate the intrinsic behavior, more so than the sidechain atoms. © 2017 The Authors. Journal of Computational Chemistry Published by Wiley Periodicals, Inc. © 2017 The Authors. Journal of Computational Chemistry Published by Wiley Periodicals, Inc.
Two-Level Semantics and Code Generation
DEFF Research Database (Denmark)
Nielson, Flemming; Nielson, Hanne Riis
1988-01-01
A two-level denotational metalanguage that is suitable for defining the semantics of Pascal-like languages is presented. The two levels allow for an explicit distinction between computations taking place at compile-time and computations taking place at run-time. While this distinction is perhaps...... not absolutely necessary for describing the input-output semantics of programming languages, it is necessary when issues such as data flow analysis and code generation are considered. For an example stack-machine, the authors show how to generate code for the run-time computations and still perform the compile...
Intersegmental interactions in supercoiled DNA: atomic force microscope study
Energy Technology Data Exchange (ETDEWEB)
Shlyakhtenko, Luda S.; Miloseska, Lela; Potaman, Vladimir N.; Sinden, Richard R.; Lyubchenko, Yuri L
2003-10-15
Intersegmental interactions in DNA facilitated by the neutralization of electrostatic repulsion was studied as a function of salt concentration and DNA supercoiling. DNA samples with defined superhelical densities were deposited onto aminopropyl mica at different ionic conditions and imaged in air after drying of the samples. Similar to hydrodynamic data, we did not observe a collapse of supercoiled DNA, as proposed earlier by cryo-EM studies. Instead, the formation of the contacts between DNA helices within supercoiled loops with no visible space between the duplexes was observed. The length of such close contacts increased upon increasing NaCl concentration. DNA supercoiling was a critical factor for the stabilization of intersegmental contacts. Implications of the observed effect for understanding DNA compaction in the cell and for regulation DNA transactions via interaction of distantly separated DNA regions are discussed.
Experimental studies of ions and atoms interaction with insulating surface
International Nuclear Information System (INIS)
Villette, J.
2000-10-01
Grazing collisions ( + , Ne + , Ne 0 , Na + on LiF (001) single crystal, an ionic insulator, are investigated by a time of flight technique. The incident beam is chopped and the scattered particles are collected on a position sensitive detector providing differential cross section while the time of flight gives the energy loss. Deflection plates allow the charge state analysis. Secondary electrons are detected in coincidence allowing direct measurements of electron emission yield, angular and energetic distribution through time of flight measurements. The target electronic structure characterized by a large band gap, governs the collisional processes: charge exchange, electronic excitations and electron emission. In particular, these studies show that the population of local target excitations surface excitons is the major contribution to the kinetic energy transfer (stopping power). Auger neutralization of Ne + and He + ions reveals the population of quasi-molecular excitons, an exciton bound on two holes. Referenced in the literature as trion. A direct energy balance determines the binding energy associated with these excited states of the surface. Besides these electronic energy loss processes, two nuclear energy loss mechanisms are characterized. These processes imply momentum transfer to individual target atoms during close binary collisions or, if the projectile is charged, to collective mode of optical phonons induced by the projectile coulomb field. The effect of the temperature on the scattering profile, the contribution of topological surface defects to the energy loss profile and to skipping motion on the surface are analyzed in view of classical trajectory simulations. (author)
Ion-atom interactions probed by photofragment spectroscopy
International Nuclear Information System (INIS)
Helm, H.
1984-01-01
Photofragment spectroscopy studies energetic and dynamical properties of molecular states interacting with dissociation continuum. So far, data for eighteen diatomic molecular ions have been gathered by this technique. This paper is a review of these investigations, introduced by a discussion of the experimental methods used. The wealth of information accessible by ion photofragment spectroscopy challenges the experimentalist in the application of innovative techniques and the theoretician for less approximate accounts of the Hamiltonian. (Auth.)
Long-range interactions between excited helium and alkali-metal atoms
Zhang, J.-Y.
2012-12-03
The dispersion coefficients for the long-range interaction of the first four excited states of He, i.e., He(2 1,3S) and He(2 1,3P), with the low-lying states of the alkali-metal atoms Li, Na, K, and Rb are calculated by summing over the reduced matrix elements of the multipole transition operators. For the interaction between He and Li the uncertainty of the calculations is 0.1–0.5%. For interactions with other alkali-metal atoms the uncertainty is 1–3% in the coefficient C5, 1–5% in the coefficient C6, and 1–10% in the coefficients C8 and C10. The dispersion coefficients Cn for the interaction of He(2 1,3S) and He(2 1,3P) with the ground-state alkali-metal atoms and for the interaction of He(2 1,3S) with the alkali-metal atoms in their first 2P states are presented in this Brief Report. The coefficients for other pairs of atomic states are listed in the Supplemental Material.
Interactions between C and Cu atoms in single-layer graphene: direct observation and modelling.
Kano, Emi; Hashimoto, Ayako; Kaneko, Tomoaki; Tajima, Nobuo; Ohno, Takahisa; Takeguchi, Masaki
2016-01-07
Metal doping into the graphene lattice has been studied recently to develop novel nanoelectronic devices and to gain an understanding of the catalytic activities of metals in nanocarbon structures. Here we report the direct observation of interactions between Cu atoms and single-layer graphene by transmission electron microscopy. We document stable configurations of Cu atoms in the graphene sheet and unique transformations of graphene promoted by Cu atoms. First-principles calculations based on density functional theory reveal a reduction of energy barrier that caused rotation of C-C bonds near Cu atoms. We discuss two driving forces, electron irradiation and in situ heating, and conclude that the observed transformations were mainly promoted by electron irradiation. Our results suggest that individual Cu atoms can promote reconstruction of single-layer graphene.
Position and Momentum Entanglement of Dipole-Dipole Interacting Atoms in Optical Lattices
Opatrný, T.; Kolář, M.; Kurizki, G.
We consider a possible realization of the position- and momentum-correlated atomic pairs that are confined to adjacent sites of two mutually shifted optical lattices and are entangled via laser-induced dipole-dipole interactions. The Einstein-Podolsky-Rosen (EPR) "paradox" [Einstein 1935] with translational variables is then modified by lattice-diffraction effects. We study a possible mechanism of creating such diatom entangled states by varying the effective mass of the atoms.
Inelastic transitions of atoms and molecules induced by van der Waals interaction with a surface
International Nuclear Information System (INIS)
Baudon, J.; Hamamda, M.; Boustimi, M.; Bocvarski, V.; Taillandier-Loize, T.; Dutier, G.; Perales, F.; Ducloy, M.
2012-01-01
Inelastic processes occuring in thermal-velocity metastable atoms and molecules passing at a mean distance (1–100 nm) are investigated. These processes are caused by the quadrupolar part of the van der Waals interaction: fine-structure transitions in atoms (Ar ∗ , Kr ∗ ), rovibrational transitions in N 2 ∗ ( 3 Σ u + ), transitions among magnetic sub-levels in the presence of a magnetic field.
Mechanism and kinetics of Fe, Cr, Mo and Mn atom interaction with molecular oxygen
International Nuclear Information System (INIS)
Akhmadov, U.S.; Zaslonko, I.S.; Smirnov, V.N.
1988-01-01
Rate constants of atomic interaction of some transition metals (Fe, Cr, Mo, Mn) with molecular oxygen are measured in shock waves using the resonance atomic-absorption method. A new method for determination of the parameter γ in the modified Lambert-Beer law D=ε(lN)γ is suggested and applied. Bond strength in CrO and MoO molecules is estimated
Huang, K.-N.
1977-01-01
A computational procedure for calculating correlated wave functions is proposed for three-particle systems interacting through Coulomb forces. Calculations are carried out for the muonic helium atom. Variational wave functions which explicitly contain interparticle coordinates are presented for the ground and excited states. General Hylleraas-type trial functions are used as the basis for the correlated wave functions. Excited-state energies of the muonic helium atom computed from 1- and 35-term wave functions are listed for four states.
DFT Modeling of Cross-Linked Polyethylene: Role of Gold Atoms and Dispersion Interactions.
Blaško, Martin; Mach, Pavel; Antušek, Andrej; Urban, Miroslav
2018-02-08
Using DFT modeling, we analyze the concerted action of gold atoms and dispersion interactions in cross-linked polyethylene. Our model consists of two oligomer chains (PEn) with 7, 11, 15, 19, or 23 carbon atoms in each oligomer cross-linked with one to three Au atoms through C-Au-C bonds. In structures with a single gold atom the C-Au-C bond is located in the central position of the oligomer. Binding energies (BEs) with respect to two oligomer radical fragments and Au are as high as 362-489 kJ/mol depending on the length of the oligomer chain. When the dispersion contribution in PEn-Au-PEn oligomers is omitted, BE is almost independent of the number of carbon atoms, lying between 293 and 296 kJ/mol. The dispersion energy contributions to BEs in PEn-Au-PEn rise nearly linearly with the number of carbon atoms in the PEn chain. The carbon-carbon distance in the C-Au-C moiety is around 4.1 Å, similar to the bond distance between saturated closed shell chains in the polyethylene crystal. BEs of pure saturated closed shell PEn-PEn oligomers are 51-187 kJ/mol. Both Au atoms and dispersion interactions contribute considerably to the creation of nearly parallel chains of oligomers with reasonably high binding energies.
Motion of Rydberg atoms with strong permanent-electric-dipole interactions
International Nuclear Information System (INIS)
Gonçalves, Luís Felipe; Thaicharoen, Nithiwadee; Raithel, Georg
2016-01-01
Using classical trajectories simulations, we investigate the dynamics of a cold sample of Rydberg atoms with high permanent electric dipole moments. The dipolar state can be created using an adiabatic passage through an avoided crossing between an S-like state and a linear Stark state. The simulations yield the pair-correlation functions (PCF) of the atom samples, which allow us to extract the motion of Rydberg-atom pairs in the many-body system. The results reveal the strength and the anisotropic character of the underlying interaction. The simulation is employed to test the suitability of experimental methods designed to derive interaction parameters from PCF. Insight is obtained about the stability of the method against variation of experimentally relevant parameters. Transient correlations due to interaction-induced heating are observed. (paper)
International Nuclear Information System (INIS)
Kaliambos, L.A.
2008-01-01
Fundamental interactions of spinning electrons at an interelectron separation less than 578.8 fm yield attractive electromagnetic forces with S = 0 creating vibrations under a motional emf. They explain the indistinguishability of electrons and give a vibration energy able for calculating the ground-state energies of many-electron atoms without using any perturbative approximation. Such forces create two-electron orbitals able to account for the exclusion principal and the mechanism of covalent bonds. In the outer subshells of atoms the penetrating orbitals interact also as pair-pair systems and deform drastically the probability densities of the quantum mechanical electron clouds. Such a dynamics of deformation removes the degeneracy and leads to the deviation from the shell scheme. However in the interior of atoms the large nuclear charge leads to a spherically symmetric potential with non-interacting pairs for creating shells of degenerate states giving an accurate explanation of the X-ray lines. On the other hand, considerable charge distributions in nucleons as multiples of 2e/3 and - e/3 determined by the magnetic moments, interact for creating the nuclear structure with p-n bonds. Such spin-spin interactions show that the dominant concept of the untisymmetric wave function for fermions is inapplicable not only in the simple p-n, p-p, and n-n systems but also in the LS coupling of atoms in which the electrons interact from different quantum states giving either S = 0 or S = l. (author)
Atom-field interaction in the single-quantum limit in a two dimensional travelling-wave cavity
International Nuclear Information System (INIS)
Youn, Sun Hyun; Chough, Young Tak; An, Kyung Won
2003-01-01
We analyze the interaction of an atom with two dimensional travelling-wave cavity modes in the strong coupling region, with the quantized atomic center of mass motion taken into account. Analytic and numerical calculation shows that the atom in two independent pairs of travelling wave modes can be made to interact only with a particular travelling mode by matching the initial momentum and the detuning of the cavities. We also numerically investigate the atomic momentum deflection in the cavities
DEFF Research Database (Denmark)
Ruban, Andrei; Skriver, Hans Lomholt
2002-01-01
We have used the locally self-consistent Green's-function (LSGF) method in supercell calculations to establish the distribution of the net charges assigned to the atomic spheres of the alloy components in metallic alloys with different compositions and degrees of order. This allows us to determine......-site local interaction zone. We demonstrate that the basic mechanism that governs the charge distribution is the screening of the net charges of the alloy components that makes the direct Coulomb interactions short ranged. In the atomic-sphere approximation, this screening appears to be almost independent...
Atomic and Plasma-Material Interaction Data for Fusion. V. 16
International Nuclear Information System (INIS)
Braams, B.J.; Chung, H.-K.
2014-03-01
A wide variety of atomic, molecular, radiative and plasma-wall interaction processes involving a mixture of atoms, ions and molecules occur in the plasmas produced in nuclear fusion experiments. In the low temperature divertor and near wall region, molecules and molecular ions are formed. The plasma particles react with electrons and with each other. Plasma modelling requires cross-sections and rate coefficients for all these processes, and in addition spectral signatures to support interpretation of data from fusion experiments. The mission of the International Atomic Energy Agency Nuclear Data Section (IAEA/NDS) in the area of atomic and molecular data is to enhance the competencies of Member States in their research into nuclear fusion through the provision of internationally recommended atomic, molecular, plasma-material interaction and material properties databases. One mechanism by which the IAEA pursues this mission is the Coordinated Research Project (CRP). The present volume of Atomic and Plasma-Material Interaction Data for Fusion contains contributions from participants in the CRP 'Atomic and Molecular Data for Plasma Modelling' (2004-2008). This CRP was concerned with data for processes in the near wall and divertor plasma and plasma-wall interaction in fusion experiments, with focus on cross-sections for molecular reactions. Participants in the CRP came from 14 different institutes, many with strong ties to fusion plasma modelling and experiment. D. Humbert of the Nuclear Data Section was scientific secretary of the CRP. Participants' contributions for this volume were collected and refereed after the conclusion of the CRP
Tensorial analysis of the long-range interaction between metastable alkaline-earth-metal atoms
International Nuclear Information System (INIS)
Santra, Robin; Greene, Chris H.
2003-01-01
Alkaline-earth-metal atoms in their lowest (nsnp) 3 P 2 state are exceptionally long lived and can be trapped magnetically. The nonspherical atomic structure leads to anisotropic long-range interactions between two metastable alkaline-earth-metal atoms. The anisotropy affects the rotational motion of the diatomic system and couples states of different rotational quantum numbers. This paper develops a tensorial decomposition of the most important long-range interaction operators, and a systematic inclusion of molecular rotations, in the presence of an external magnetic field. This analysis illuminates the nature of the coupling between the various degrees of freedom. The consequences are illustrated by application to a system of practical interest: metastable 88 Sr. Using atomic parameters determined in a nearly ab initio calculation, we compute adiabatic potential-energy curves. The anisotropic interatomic interaction, in combination with the applied magnetic field, is demonstrated to induce the formation of a long-range molecular potential well. This curve correlates to two fully polarized, low-field seeking atoms in a rotational s-wave state. The coupling among molecular rotational states controls the existence of the potential well, and its properties vary as a function of magnetic-field strength, thus allowing the scattering length in this state to be tuned. The scattering length of metastable 88 Sr displays a resonance at a field of 339 G
Interaction of epitaxial silicene with overlayers formed by exposure to Al atoms and O2 molecules.
Friedlein, R; Van Bui, H; Wiggers, F B; Yamada-Takamura, Y; Kovalgin, A Y; de Jong, M P
2014-05-28
As silicene is not chemically inert, the study and exploitation of its electronic properties outside of ultrahigh vacuum environments require the use of insulating capping layers. In order to understand if aluminum oxide might be a suitable encapsulation material, we used high-resolution synchrotron photoelectron spectroscopy to study the interactions of Al atoms and O2 molecules, as well as the combination of both, with epitaxial silicene on thin ZrB2(0001) films grown on Si(111). The deposition of Al atoms onto silicene, up to the coverage of about 0.4 Al per Si atoms, has little effect on the chemical state of the Si atoms. The silicene-terminated surface is also hardly affected by exposure to O2 gas, up to a dose of 4500 L. In contrast, when Al-covered silicene is exposed to the same dose, a large fraction of the Si atoms becomes oxidized. This is attributed to dissociative chemisorption of O2 molecules by Al atoms at the surface, producing reactive atomic oxygen species that cause the oxidation. It is concluded that aluminum oxide overlayers prepared in this fashion are not suitable for encapsulation since they do not prevent but actually enhance the degradation of silicene.
Interaction and dynamics of add-atoms with 2-dimensional structures
The interaction and dynamics of add-atoms with graphene, graphene-derivate structures and, later, MoSi$_2$, two-dimensional – single and few – atomic layers will be studied with the Perturbed Angular Correlation – PAC – technique. Graphene is also envisaged as new platform for growing semiconductor nanostructure devices, such as quantum dots and as a particularly powerful catalyst. Understanding nucleation of nanostructures and clusters on graphene and related phases in wet conditions as they are used in chemical methods in research and industry require complementary studies. These systems will therefore be studied systematically using radioactive probe atoms attaching via a transfer media (e.g., water in catalysis process) or being deposited with soft-landing techniques under vacuum and UHV conditions, as put in place at the ASPIC setup at ISOLDE. The hyperfine fields obtained under different environments are expected to reveal basic information on the rich atomic and physical mechanisms associated w...
Atomic and plasma-material interaction data for fusion. V. 2
International Nuclear Information System (INIS)
1992-01-01
This issues of the Atomic and Plasma-Material Interaction Data for Fusion contains 9 papers on atomic and molecular processes in the edge region of magnetically confined fusion plasmas, including spectroscopic data for fusion edge plasmas; electron collision processes with plasma edge neutrals; electron-ion collisions in the plasma edge; cross-section data for collisions of electrons with hydrocarbon molecules; dissociative and energy transfer reactions involving vibrationally excited hydrogen or deuterium molecules; an assessment of ion-atom collision data for magnetic fusion plasma edge modeling; an extended scaling of cross sections for the ionization of atomic and molecular hydrogen as well as helium by multiply-charged ions; ion-molecule collision processes relevant to fusion edge plasmas; and radiative losses and electron cooling rates for carbon and oxygen plasma impurities. Refs, figs and tabs
Towards passive and active laser stabilization using cavity-enhanced atomic interaction
DEFF Research Database (Denmark)
Schäffer, Stefan Alaric; Christensen, Bjarke Takashi Røjle; Rathmann, Stefan Mossor
2017-01-01
Ultra stable frequency references such as the ones used in optical atomic clocks and for quantum metrology may be obtained by stabilizing a laser to an optical cavity that is stable over time. State-of-the-art frequency references are constructed in this way, but their stabilities are currently...... experimental efforts derived from these proposals, to use cavity-enhanced interaction with atomic 88Sr samples as a frequency reference for laser stabilization. Such systems can be realized using both passive and active approaches where either the atomic phase response is used as an error signal, or the narrow...... atomic transition itself is used as a source for a spectrally pure laser. Both approaches shows the promise of being able to compete with the current state of the art in stable lasers and have similar limitations on their ultimately achievable linewidths [1, 2]....
International Nuclear Information System (INIS)
Benisti, D.
2011-01-01
This manuscript provides a theoretical description, sometimes illustrated by experimental results, of several examples of field-matter interaction in various domains of physics, showing how the same basic concepts and theoretical methods may be used in very different physics situations. The issues addressed here are nonlinear field-matter interaction in plasma physics within the framework of classical mechanics (with a particular emphasis on wave-particle interaction), the linear analysis of beam-plasma instabilities in the relativistic regime, and the quantum description of laser-atom interaction, including quantum electrodynamics. Novel methods are systematically introduced in order to solve some very old problems, like the nonlinear counterpart of the Landau damping rate in plasma physics, for example. Moreover, our results directly apply to inertial confinement fusion, laser propagation in an atomic vapor, ion acceleration in a magnetized plasma and the physics of the Reversed Field Pinch for magnetic fusion. (author)
Rosenblum, Serge; Borne, Adrien; Dayan, Barak
2017-03-01
The long-standing goal of deterministic quantum interactions between single photons and single atoms was recently realized in various experiments. Among these, an appealing demonstration relied on single-photon Raman interaction (SPRINT) in a three-level atom coupled to a single-mode waveguide. In essence, the interference-based process of SPRINT deterministically swaps the qubits encoded in a single photon and a single atom, without the need for additional control pulses. It can also be harnessed to construct passive entangling quantum gates, and can therefore form the basis for scalable quantum networks in which communication between the nodes is carried out only by single-photon pulses. Here we present an analytical and numerical study of SPRINT, characterizing its limitations and defining parameters for its optimal operation. Specifically, we study the effect of losses, imperfect polarization, and the presence of multiple excited states. In all cases we discuss strategies for restoring the operation of SPRINT.
International Nuclear Information System (INIS)
Rajput, B.S.
1977-01-01
Using the reduced expansions of second quantized electromagnetic vector potential operator in terms of irreducible representations of Pioncare group in the interaction Hamiltonian, the exact matrix elements of interaction of electromagnetic field with a hydrogenic atom have been derived and the contributions of transitions for different combinations of angular momentum quantum numbers to the transition probabilities of various lines in Lyman-, Balmer-, and Paschen-series have been computed. (author)
Effect of pairwise dipole–dipole interaction among three-atom systems
Indian Academy of Sciences (India)
The excitement to study dynamics of dipole–dipole interaction stems from the fact that ... As the detailed results for the two-atom case are published in [13], only .... state are |gee〉, |ege〉 and |eeg〉 and are denoted as |5〉, |6〉 and |7〉. Finally, the ...
Long-range dispersion interactions. III: Method for two homonuclear atoms
International Nuclear Information System (INIS)
Mitroy, J.; Zhang, J.-Y.
2007-01-01
A procedure for systematically evaluating the long-range dispersion interaction between two homonuclear atoms in arbitrary LS coupled states is outlined. The method is then used to generate dispersion coefficients for a number of the low-lying states of the Na and Mg dimers
International Nuclear Information System (INIS)
Jarlskog, C.
1976-07-01
Parity violation experiments in atoms are probing structure of the weak neutral current couplings of the electrons and the quarks in the same range as the neutrino interactions are measuring couplings of neutrinos and quarks. In addition, leptonic neutral currents determine couplings of neutrinos and electrons. Therefore the three type of experiments give complete information and impose strong restrictions on theoretical possibilities. (BJ) [de
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
International Nuclear Information System (INIS)
Piil, Rune; Moelmer, Klaus
2007-01-01
By adjusting the tunneling couplings over longer than nearest-neighbor distances, it is possible in discrete lattice models to reproduce the properties of the lowest energy band of a real, continuous periodic potential. We propose to include such terms in problems with interacting particles, and we show that they have significant consequences for scattering and bound states of atom pairs in periodic potentials
Atom Core Interactive Electronic Book to Develop Self Efficacy and Critical Thinking Skills
Pradina, Luthfia Puspa; Suyatna, Agus
2018-01-01
The purpose of this research is to develop interactive atomic electronic school book (IESB) to cultivate critical thinking skills and confidence of students grade 12. The method used in this research was the ADDIE (Analyze Design Development Implementation Evaluation) development procedure which is limited to the test phase of product design…
Influence of atomic force microscope tip-sample interaction on the study of scaling behavior
Aue, J.; de Hosson, J.T.M.
1997-01-01
Images acquired with atomic force microscopy are based on tip-sample interaction. It is shown that using scanning probe techniques for determining scaling parameters of a surface leads to an underestimate of the actual scaling dimension, due to the dilation of tip and surface. How much we
Controlling the optical bistability and multistability in a two-level pumped-probe system
International Nuclear Information System (INIS)
Mahmoudi, Mohammad; Sahrai, Mostafa; Masoumeh Mousavi, Seyede
2010-01-01
We study the behavior of the optical bistability (OB) and multistability (OM) in a two-level pumped-probe atomic system by means of a unidirectional ring cavity. We show that the optical bistability in a two-level atomic system can be controlled by adjusting the intensity of the pump field and the detuning between two fields. We find that applying the pumping field decreases the threshold of the optical bistability.
International Nuclear Information System (INIS)
Ryazanov, A.I.; Metelkin, E.V.
1980-01-01
Cascades of atomic collisions created by high energy particles as a result of irradiation of solids by them are considered. The solution of the problem is based on the investigation of the Boltzmann stationary kinetic equation for moving atoms. For this equation a model scattering indicatrix is constructed with an arbitrary form of the potential of interaction of moving atoms with lattice atoms. The choice of the model scattering indicatrix of atoms is determined by the normalization, the average energy loss in a single collision and by the deviation of the energy losses really occurring in the collision from the mean value, as well as by the initial kinetic equation for moving atoms. The energy distribution of moving atoms for arbitrary interatomic interaction potentials has been obtained using the constructed model scattering indicatrix. On the basis of the theory constructed a cascade is calculated with an interatomic interaction potential in the form of the Thomas-Fermi potential and the power potential. (author)
Basharov, A. M.
2018-03-01
The Markov model of spontaneous emission of an atom localized in a spatial region with a broadband electromagnetic field with zero photon density is considered in the conditions of coupling of the electromagnetic field with the broadband field of a neighboring space. The evolution operator of the system and the kinetic equation for the atom are obtained. It is shown that the field coupling constant affects the rate of spontaneous emission of the atom, but is not manifested in the atomic frequency shift. The analytic expression for the radiative decay constant for the atom is found to be analogous in a certain sense to the expression for the decay constant for a singly excited localized ensemble of identical atoms in the conditions when the effect of stabilization of its excited state by the Stark interaction with the vacuum broadband electromagnetic field is manifested. The model is formulated based on quantum stochastic differential equations of the non- Wiener type and the generalized algebra of the Ito differential of quantum random processes.
UROX 2.0: an interactive tool for fitting atomic models into electron-microscopy reconstructions
International Nuclear Information System (INIS)
Siebert, Xavier; Navaza, Jorge
2009-01-01
UROX is software designed for the interactive fitting of atomic models into electron-microscopy reconstructions. The main features of the software are presented, along with a few examples. Electron microscopy of a macromolecular structure can lead to three-dimensional reconstructions with resolutions that are typically in the 30–10 Å range and sometimes even beyond 10 Å. Fitting atomic models of the individual components of the macromolecular structure (e.g. those obtained by X-ray crystallography or nuclear magnetic resonance) into an electron-microscopy map allows the interpretation of the latter at near-atomic resolution, providing insight into the interactions between the components. Graphical software is presented that was designed for the interactive fitting and refinement of atomic models into electron-microscopy reconstructions. Several characteristics enable it to be applied over a wide range of cases and resolutions. Firstly, calculations are performed in reciprocal space, which results in fast algorithms. This allows the entire reconstruction (or at least a sizeable portion of it) to be used by taking into account the symmetry of the reconstruction both in the calculations and in the graphical display. Secondly, atomic models can be placed graphically in the map while the correlation between the model-based electron density and the electron-microscopy reconstruction is computed and displayed in real time. The positions and orientations of the models are refined by a least-squares minimization. Thirdly, normal-mode calculations can be used to simulate conformational changes between the atomic model of an individual component and its corresponding density within a macromolecular complex determined by electron microscopy. These features are illustrated using three practical cases with different symmetries and resolutions. The software, together with examples and user instructions, is available free of charge at http://mem.ibs.fr/UROX/
Tunable-Range, Photon-Mediated Atomic Interactions in Multimode Cavity QED
Directory of Open Access Journals (Sweden)
Varun D. Vaidya
2018-01-01
Full Text Available Optical cavity QED provides a platform with which to explore quantum many-body physics in driven-dissipative systems. Single-mode cavities provide strong, infinite-range photon-mediated interactions among intracavity atoms. However, these global all-to-all couplings are limiting from the perspective of exploring quantum many-body physics beyond the mean-field approximation. The present work demonstrates that local couplings can be created using multimode cavity QED. This is established through measurements of the threshold of a superradiant, self-organization phase transition versus atomic position. Specifically, we experimentally show that the interference of near-degenerate cavity modes leads to both a strong and tunable-range interaction between Bose-Einstein condensates (BECs trapped within the cavity. We exploit the symmetry of a confocal cavity to measure the interaction between real BECs and their virtual images without unwanted contributions arising from the merger of real BECs. Atom-atom coupling may be tuned from short range to long range. This capability paves the way toward future explorations of exotic, strongly correlated systems such as quantum liquid crystals and driven-dissipative spin glasses.
Atomic wavefunctions probed through strong-field light-matter interaction
Energy Technology Data Exchange (ETDEWEB)
Mairesse, Y; Villeneuve, D M; Corkum, P B; Dudovich, N [Natl Res Council Canada, Ottawa, ON K1A 0R6 (Canada); Shafir, D; Dudovich, N [Weizmann Inst Sci, Dept Phys Complex Syst, IL-76100 Rehovot, (Israel); Mairesse, Y [Univ Bordeaux 1, CELIA, CNRS, UMR 5107, CEA, F-33405 Talence (France)
2009-07-01
Strong-field light-matter interactions can encode the spatial properties of the electronic wavefunctions that contribute to the process. In particular, the broadband harmonic spectra, measured for a series of molecular alignments, can be used to create a tomographic reconstruction of molecular orbitals. Here, we present an extension of the tomography approach to systems that cannot be naturally aligned. We demonstrate this ability by probing the two-dimensional properties of atomic wavefunctions. By manipulating an electron-ion re-collision process, we are able to resolve the symmetry of the atomic wavefunction with high contrast. (authors)
Interaction of slow and highly charged ions with surfaces: formation of hollow atoms
Energy Technology Data Exchange (ETDEWEB)
Stolterfoht, N; Grether, M; Spieler, A; Niemann, D [Hahn-Meitner Institut, Berlin (Germany). Bereich Festkoerperphysik; Arnau, A
1997-03-01
The method of Auger spectroscopy was used to study the interaction of highly charged ions with Al and C surfaces. The formation of hollow Ne atoms in the first surface layers was evaluated by means of a Density Functional theory including non-linear screening effects. The time-dependent filling of the hollow atom was determined from a cascade model yielding information about the structure of the K-Auger spectra. Variation of total intensities of the L- and K-Auger peaks were interpreted by the cascade model in terms of attenuation effects on the electrons in the solid. (author)
Engaging the Terminal: Promoting Halogen Bonding Interactions with Uranyl Oxo Atoms.
Carter, Korey P; Kalaj, Mark; Surbella, Robert G; Ducati, Lucas C; Autschbach, Jochen; Cahill, Christopher L
2017-11-02
Engaging the nominally terminal oxo atoms of the linear uranyl (UO 2 2+ ) cation in non-covalent interactions represents both a significant challenge and opportunity within the field of actinide hybrid materials. An approach has been developed for promoting oxo atom participation in a range of non-covalent interactions, through judicious choice of electron donating equatorial ligands and appropriately polarizable halogen-donor atoms. As such, a family of uranyl hybrid materials was generated based on a combination of 2,5-dihalobenzoic acid and aromatic, chelating N-donor ligands. Delineation of criteria for oxo participation in halogen bonding interactions has been achieved by preparing materials containing 2,5-dichloro- (25diClBA) and 2,5-dibromobenzoic acid (25diBrBA) coupled with 2,2'-bipyridine (bipy) (1 and 2), 1,10-phenanthroline (phen) (3-5), 2,2':6',2''-terpyridine (terpy) (6-8), or 4'-chloro-2,2':6',2''-terpyridine (Cl-terpy) (9-10), which have been characterized through single crystal X-ray diffraction, Raman, Infrared (IR), and luminescence spectroscopy, as well as through density functional calculations of electrostatic potentials. Looking comprehensively, these results are compared with recently published analogues featuring 2,5-diiodobenzoic acid which indicate that although inclusion of a capping ligand in the uranyl first coordination sphere is important, it is the polarizability of the selected halogen atom that ultimately drives halogen bonding interactions with the uranyl oxo atoms. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.
Transport and interaction blockade of cold bosonic atoms in a triple-well potential
International Nuclear Information System (INIS)
Schlagheck, P; Malet, F; Cremon, J C; Reimann, S M
2010-01-01
We theoretically investigate the transport properties of cold bosonic atoms in a quasi-one-dimensional (1D) triple-well potential that consists of two large outer wells, which act as microscopic source and drain reservoirs, and a small inner well, which represents a quantum-dot-like scattering region. Bias and gate 'voltages' introduce a time-dependent tilt of the triple-well configuration, and are used to shift the energetic level of the inner well with respect to the outer ones. By means of exact diagonalization considering a total number of six atoms in the triple-well potential, we find diamond-like structures for the occurrence of single-atom transport in the parameter space spanned by the bias and gate voltages. We discuss the analogy with Coulomb blockade in electronic quantum dots, and point out how one can infer the interaction energy in the central well from the distance between the diamonds.
Interaction-induced decay of a heteronuclear two-atom system
Xu, Peng; Yang, Jiaheng; Liu, Min; He, Xiaodong; Zeng, Yong; Wang, Kunpeng; Wang, Jin; Papoular, D. J.; Shlyapnikov, G. V.; Zhan, Mingsheng
2015-01-01
Two-atom systems in small traps are of fundamental interest for understanding the role of interactions in degenerate cold gases and for the creation of quantum gates in quantum information processing with single-atom traps. One of the key quantities is the inelastic relaxation (decay) time when one of the atoms or both are in a higher hyperfine state. Here we measure this quantity in a heteronuclear system of 87Rb and 85Rb in a micro optical trap and demonstrate experimentally and theoretically the presence of both fast and slow relaxation processes, depending on the choice of the initial hyperfine states. This experimental method allows us to single out a particular relaxation process thus provides an extremely clean platform for collisional physics studies. Our results have also implications for engineering of quantum states via controlled collisions and creation of two-qubit quantum gates. PMID:26199051
NATO Advanced Study Institute on Laser Interactions with Atoms, Solids,and Plasmas
1994-01-01
The aim of this NATO Advanced Study Institute was to bring together scientists and students working in the field of laser matter interactions in order to review and stimulate developmentoffundamental science with ultra-short pulse lasers. New techniques of pulse compression and colliding-pulse mode-locking have made possible the construction of lasers with pulse lengths in the femtosecond range. Such lasers are now in operation at several research laboratories in Europe and the United States. These laser facilities present a new and exciting research direction with both pure and applied science components. In this ASI the emphasis is on fundamental processes occurring in the interaction of short laser pulses with atoms, molecules, solids, and plasmas. In the case of laser-atom (molecule) interactions, high power lasers provide the first access to extreme high-intensity conditions above 10'8 Watts/em', a new frontier for nonlinear interaction of photons with atoms and molecules. New phenomena observed include ...
Branicio, Paulo S.; Vastola, Guglielmo; Jhon, Mark H.; Sullivan, Michael B.; Shenoy, Vivek B.; Srolovitz, David J.
2016-10-01
The deformation of graphene due to the chemisorption of hydrogen atoms on its surface and the long-range elastic interaction between hydrogen atoms induced by these deformations are investigated using a multiscale approach based on first principles, empirical interactions, and continuum modeling. Focus is given to the intrinsic low-temperature structure and interactions. Therefore, all calculations are performed at T =0 , neglecting possible temperature or thermal fluctuation effects. Results from different methods agree well and consistently describe the local deformation of graphene on multiple length scales reaching 500 Å . The results indicate that the elastic interaction mediated by this deformation is significant and depends on the deformation of the graphene sheet both in and out of plane. Surprisingly, despite the isotropic elasticity of graphene, within the linear elastic regime, atoms elastically attract or repel each other depending on (i) the specific site they are chemisorbed; (ii) the relative position of the sites; (iii) and if they are on the same or on opposite surface sides. The interaction energy sign and power-law decay calculated from molecular statics agree well with theoretical predictions from linear elasticity theory, considering in-plane or out-of-plane deformations as a superposition or in a coupled nonlinear approach. Deviations on the exact power law between molecular statics and the linear elastic analysis are evidence of the importance of nonlinear effects on the elasticity of monolayer graphene. These results have implications for the understanding of the generation of clusters and regular formations of hydrogen and other chemisorbed atoms on graphene.
Molecular dynamics study of the interactions of incident N or Ti atoms with the TiN(001) surface
International Nuclear Information System (INIS)
Xu, Zhenhai; Zeng, Quanren; Yuan, Lin; Qin, Yi; Chen, Mingjun; Shan, Debin
2016-01-01
Graphical abstract: - Highlights: • Interactions of incident N or Ti atoms with TiN(001) surface are studied by CMD. • The impact position of incident N on the surface determines the interaction modes. • Adsorption could occur due to the atomic exchange process. • Resputtering and reflection may simultaneously occur. • The initial sticking coefficient of N on TiN(001) is much smaller than that of Ti. - Abstract: The interaction processes between incident N or Ti atoms and the TiN(001) surface are simulated by classical molecular dynamics based on the second nearest-neighbor modified embedded-atom method potentials. The simulations are carried out for substrate temperatures between 300 and 700 K and kinetic energies of the incident atoms within the range of 0.5–10 eV. When N atoms impact against the surface, adsorption, resputtering and reflection of particles are observed; several unique atomic mechanisms are identified to account for these interactions, in which the adsorption could occur due to the atomic exchange process while the resputtering and reflection may simultaneously occur. The impact position of incident N atoms on the surface plays an important role in determining the interaction modes. Their occurrence probabilities are dependent on the kinetic energy of incident N atoms but independent on the substrate temperature. When Ti atoms are the incident particles, adsorption is the predominant interaction mode between particles and the surface. This results in the much smaller initial sticking coefficient of N atoms on the TiN(001) surface compared with that of Ti atoms. Stoichiometric TiN is promoted by N/Ti flux ratios larger than one.
Two-level tunneling systems in amorphous alumina
Lebedeva, Irina V.; Paz, Alejandro P.; Tokatly, Ilya V.; Rubio, Angel
2014-03-01
The decades of research on thermal properties of amorphous solids at temperatures below 1 K suggest that their anomalous behaviour can be related to quantum mechanical tunneling of atoms between two nearly equivalent states that can be described as a two-level system (TLS). This theory is also supported by recent studies on microwave spectroscopy of superconducting qubits. However, the microscopic nature of the TLS remains unknown. To identify structural motifs for TLSs in amorphous alumina we have performed extensive classical molecular dynamics simulations. Several bistable motifs with only one or two atoms jumping by considerable distance ~ 0.5 Å were found at T=25 K. Accounting for the surrounding environment relaxation was shown to be important up to distances ~ 7 Å. The energy asymmetry and barrier for the detected motifs lied in the ranges 0.5 - 2 meV and 4 - 15 meV, respectively, while their density was about 1 motif per 10 000 atoms. Tuning of motif asymmetry by strain was demonstrated with the coupling coefficient below 1 eV. The tunnel splitting for the symmetrized motifs was estimated on the order of 0.1 meV. The discovered motifs are in good agreement with the available experimental data. The financial support from the Marie Curie Fellowship PIIF-GA-2012-326435 (RespSpatDisp) is gratefully acknowledged.
Model analysis of molecular conformations in terms of weak interactions between non bonded atoms
International Nuclear Information System (INIS)
Lombardi, E.
1988-01-01
The aim of the present paper is to establish a reliable basis for the evaluation of stable conformations and rotational barriers for molecules, with possible applications to systems of biological interest. It is proceeded in two steps: first, the effect of chemical environment on orbitals of a given atom is studied for diatomic units, adopting a valence-bond approach and considering, as prototypes, the two simplest series of diatomic molecules with one valence electron each, i.e. the alkali diatomics and the alkali hydrides. In the model, the orbital of the hydrogen atom by a simple (''1S'') gaussian function, the valence orbital of an alkali atom by a function (r 2 -a 2 ) times a simple gaussian (''2S'' gaussian). Dissociation energies D e and equilibrium distances R e are calculated using a scanning procedure. Agreement with experiment is quantitative for the alkali diatomics. For alkali hydrides, good agreement is obtained only if validity of a rule β e R e =constant, for the two atoms separately, is postulated; β e is the characteristic parameter of a ''1S'' gaussian (hydrogen) or a ''2S'' gaussian (alkali atom) function. In a second step, the authors assume validity of the same rule in conformational analysis for any single bonded A-B molecule with A=C, O, N, P, Si, Ge and B=H, or a halogen atom. Gauge β e values for H, F and C are obtained by fitting experimental rotational barriers in C 2 H 6 , C 2 F 6 and C 3 H 8 . Stable conformation of, and barriers to rotation in, ethane-like rotors are determined, applying first-order exchange perturbation theory, in terms of two- and many-center exchange interactions in cluster of non-bonded atoms. Some 60 molecules are analyzed. Agreement with experiments is strikngly good except for a few systematic deviation. Reasons for such discrepancies are discussed
Memory Effects in the Two-Level Model for Glasses
Aquino, Gerardo; Allahverdyan, Armen; Nieuwenhuizen, Theo M.
2008-07-01
We study an ensemble of two-level systems interacting with a thermal bath. This is a well-known model for glasses. The origin of memory effects in this model is a quasistationary but nonequilibrium state of a single two-level system, which is realized due to a finite-rate cooling and slow thermally activated relaxation. We show that single-particle memory effects, such as negativity of the specific heat under reheating, vanish for a sufficiently disordered ensemble. In contrast, a disordered ensemble displays a collective memory effect [similar to the Kovacs effect], where nonequilibrium features of the ensemble are monitored via a macroscopic observable. An experimental realization of the effect can be used to further assess the consistency of the model.
International Nuclear Information System (INIS)
Deschaud, B.; Peyrusse, O.; Rosmej, F.B.
2014-01-01
Generalized atomic processes are proposed to establish a consistent description from the free-atom approach to the heated and even up to the cold solid. It is based on a rigorous introduction of the Fermi-Dirac statistics, Pauli blocking factors and on the respect of the principle of detailed balance via the introduction of direct and inverse processes. A probability formalism driven by the degeneracy of the free electrons enables to establish a link of atomic rates valid from the heated atom up to the cold solid. This allows to describe photoionization processes in atomic population kinetics and subsequent solid matter heating on a femtosecond time scale. The Auger effect is linked to the 3-body recombination via a generalized 3-body recombination that is identified as a key mechanism, along with the collisional ionization, that follows energy deposition by photoionization of inner shells when short, intense and high-energy radiation interacts with matter. Detailed simulations are carried out for aluminum that highlight the importance of the generalized approach. (authors)
Resonant atom-field interaction in large-size coupled-cavity arrays
International Nuclear Information System (INIS)
Ciccarello, Francesco
2011-01-01
We consider an array of coupled cavities with staggered intercavity couplings, where each cavity mode interacts with an atom. In contrast to large-size arrays with uniform hopping rates where the atomic dynamics is known to be frozen in the strong-hopping regime, we show that resonant atom-field dynamics with significant energy exchange can occur in the case of staggered hopping rates even in the thermodynamic limit. This effect arises from the joint emergence of an energy gap in the free photonic dispersion relation and a discrete frequency at the gap's center. The latter corresponds to a bound normal mode stemming solely from the finiteness of the array length. Depending on which cavity is excited, either the atomic dynamics is frozen or a Jaynes-Cummings-like energy exchange is triggered between the bound photonic mode and its atomic analog. As these phenomena are effective with any number of cavities, they are prone to be experimentally observed even in small-size arrays.
International Nuclear Information System (INIS)
Lovric, D.; Gumhalter, B.
1988-01-01
The relevance of van der Waals interactions in the scattering of neutral atoms from adsorbates has been recently confirmed by highly sensitive molecular-beam techniques. The theoretical descriptions of the collision dynamics which followed the experimental studies have necessitated very careful qualitative and quantitative examinations and evaluations of the properties of atom-adsorbate van der Waals interactions for specific systems. In this work we present a microscopic calculation of the strengths and reference-plane positions for van der Waals potentials relevant for scattering of He atoms from CO adsorbed on various metallic substrates. In order to take into account the specificities of the polarization properties of real metals (noble and transition metals) and of chemisorbed CO, we first calculate the spectra of the electronic excitations characteristic of the respective electronic subsystems by using various data sources available and combine them with the existing theoretical models. The reliability of the calculated spectra is then verified in each particular case by universal sum rules which may be established for the electronic excitations of surfaces and adsorbates. The substrate and adsorbate polarization properties which derive from these calculations serve as input data for the evaluation of the strengths and reference-plane positions of van der Waals potentials whose computed values are tabulated for a number of real chemisorption systems. The implications of the obtained results are discussed in regard to the atom-adsorbate scattering cross sections pertinent to molecular-beam scattering experiments
Powerful effective one-electron Hamiltonian for describing many-atom interacting systems
International Nuclear Information System (INIS)
Lugo, J.O.; Vergara, L.I.; Bolcatto, P.G.; Goldberg, E.C.
2002-01-01
In this paper, we present an alternative way to build the effective one-electron picture of a many-atom interacting system. By simplifying the many-body general problem we present two different options for the bond-pair model Hamiltonian. We have found that the successive approximations in order to achieve the effective description have a dramatic influence on the result. Thus, only the model that introduces the correct renormalization in the diagonal term due to the overlap is able to reproduce, even in a quantitative fashion, the main properties of simple homonuclear diatomic molecules. The success of the model resides in the accurate definitions (free of parametrization) of the Hamiltonian terms, which, therefore, could be used to describe more complex interacting systems such as polyatomic molecules, adsorbed species, or atoms scattered by a surface
International Nuclear Information System (INIS)
Antsygina, T.N.; Poltavskaya, M.I.; Chishko, K.A.
2003-01-01
The interaction between the rotational degrees of freedom of a diatomic molecular impurity and the phonon excitations of a two-dimensional atomic matrix commensurate with a substrate is investigated theoretically. It is shown, that the translational-rotational interaction changes the form of the rotational kinetic energy operator as compared to the corresponding expression for a free rotator, and also renormalized the parameters of the crystal field without change in its initial form. The contribution of the impurity rotational degrees of freedom to the low-temperature heat capacity for a dilute solution of diatomic molecules in an atomic two-dimensional matrix is calculated. The possibility of experimental observation of the effects obtained is discussed
Nanostructure van der Waals interaction between a quantum well and a quantum dot atom
International Nuclear Information System (INIS)
Horing, Norman J Morgenstern
2006-01-01
We examine the van der Waals interaction between mobile plasma electrons in a narrow quantum well nanostructure and a quantum dot atom. This formulation of the van der Waals interaction exhibits it to second order as the correlation energy (self-energy) of the dot-atom electrons mediated by the image potential arising from the dynamic, nonlocal and spatially inhomogeneous polarization of the quantum well plasma electrons. This image potential of the quantum-well plasma is, in turn, determined by the dynamic, nonlocal, inhomogeneous screening function of the quantum well, which involves the space-time matrix inversion of its spatially inhomogeneous, nonlocal and time-dependent dielectric function. The latter matrix inversion is carried out exactly, in closed form, and the van der Waals energy is evaluated in the electrostatic limit to dipole-dipole terms
Translational Entanglement of Dipole-Dipole Interacting Atoms in Optical Lattices
Opatrny, T.; Deb, B.; Kurizki, G.
2003-01-01
We propose and investigate a realization of the position- and momentum-correlated Einstein-Podolsky-Rosen (EPR) states [Phys. Rev. 47, 777 (1935)] that have hitherto eluded detection. The realization involves atom pairs that are confined to adjacent sites of two mutually shifted optical lattices and are entangled via laser-induced dipole-dipole interactions. The EPR "paradox" with translational variables is then modified by lattice-diffraction effects, and can be verified to a high degree of ...
Shantappa, A.; Hanagodimath, S. M.
2014-01-01
Effective atomic numbers, electron densities of some vitamins (Retinol, Riboflavin, Niacin, Biotin, Folic acid, Cobalamin, Phylloquinone and Flavonoids) composed of C, H, O, N, Co, P and S have been calculated for total and partial photon interactions by the direct method for energy range 1 keV-100 GeV by using WinXCOM and kinetic energy released in matter (Kerma) relative to air is calculated in energy range of 1 keV-20 MeV. Change in effective atomic number and electron density with energy is calculated for all photon interactions. Variation of photon mass attenuation coefficients with energy are shown graphically only for total photon interaction. It is observed that change in mass attenuation coefficient with composition of different chemicals is very large below 100 keV and moderate between 100 keV and 10 MeV and negligible above 10 MeV. Behaviour of vitamins is almost indistinguishable except biotin and cobalamin because of large range of atomic numbers from 1(H) to 16 (S) and 1(H) to 27(Co) respectively. K a value shows a peak due to the photoelectric effect around K-absorption edge of high- Z constituent of compound for biotin and cobalamin.
Three-dimensional theory for interaction between atomic ensembles and free-space light
International Nuclear Information System (INIS)
Duan, L.-M.; Cirac, J.I.; Zoller, P.
2002-01-01
Atomic ensembles have shown to be a promising candidate for implementations of quantum information processing by many recently discovered schemes. All these schemes are based on the interaction between optical beams and atomic ensembles. For description of these interactions, one assumed either a cavity-QED model or a one-dimensional light propagation model, which is still inadequate for a full prediction and understanding of most of the current experimental efforts that are actually taken in the three-dimensional free space. Here, we propose a perturbative theory to describe the three-dimensional effects in interaction between atomic ensembles and free-space light with a level configuration important for several applications. The calculations reveal some significant effects that were not known before from the other approaches, such as the inherent mode-mismatching noise and the optimal mode-matching conditions. The three-dimensional theory confirms the collective enhancement of the signal-to-noise ratio which is believed to be one of the main advantages of the ensemble-based quantum information processing schemes, however, it also shows that this enhancement needs to be understood in a more subtle way with an appropriate mode-matching method
Wang, Hongtao
2012-01-01
Interaction between single noble metal atoms and graphene edges has been investigated via aberration-corrected and monochromated transmission electron microscopy. A collective motion of the Au atom and the nearby carbon atoms is observed in transition between energy-favorable configurations. Most trapping and detrapping processes are assisted by the dangling carbon atoms, which are more susceptible to knock-on displacements by electron irradiation. Thermal energy is lower than the activation barriers in transition among different energy-favorable configurations, which suggests electron-beam irradiation can be an efficient way of engineering the graphene edge with metal atoms. © 2012 The Royal Society of Chemistry.
Probing the interactions between lignin and inorganic oxides using atomic force microscopy
Energy Technology Data Exchange (ETDEWEB)
Wang, Jingyu; Qian, Yong, E-mail: qianyong86@163.com; Deng, Yonghong; Liu, Di; Li, Hao; Qiu, Xueqing, E-mail: xueqingqiu66@163.com
2016-12-30
Graphical abstract: The interactions between lignin and inorganic oxides are quantitatively probed by atomic force microscopy, which is fundamental but beneficial for understanding and optimizing the absorption-dispersion and catalytic degradation processes of lignin. - Highlights: • The interactions between lignin and inorganic oxides are measured using AFM. • The adhesion forces between lignin and metal oxides are larger than that in nonmetal systems. • Hydrogen bond plays an important role in lignin-inorganic oxides system. - Abstract: Understanding the interactions between lignin and inorganic oxides has both fundamental and practical importance in industrial and energy fields. In this work, the specific interactions between alkali lignin (AL) and three inorganic oxide substrates in aqueous environment are quantitatively measured using atomic force microscopy (AFM). The results show that the average adhesion force between AL and metal oxide such as Al{sub 2}O{sub 3} or MgO is nearly two times bigger than that between AL and nonmetal oxide such as SiO{sub 2} due to the electrostatic difference and cation-π interaction. When 83% hydroxyl groups of AL is blocked by acetylation, the adhesion forces between AL and Al{sub 2}O{sub 3}, MgO and SiO{sub 2} decrease 43, 35 and 75% respectively, which indicate hydrogen bonds play an important role between AL and inorganic oxides, especially in AL-silica system.
Energy Technology Data Exchange (ETDEWEB)
Hatami, F.; Feghhi, S.A.H., E-mail: a.feghhi@gmail.com; Arjhangmehr, A., E-mail: ms.arjangmehr@gmail.com; Esfandiarpour, A.
2016-11-15
In this paper, we investigate interaction of primary cascades with grain boundaries (GBs) in α-Zr using the atomistic-scale simulations, and intend to study the influence of different GB structures on production and evolution of defects on picosecond timescale. We observe that, contrary to the previous results in cubic metals, GBs in α-Zr are not necessarily biased toward interstitials, and can preferentially absorb vacancies. Further, in terms of energetic and kinetic behavior, we find that GBs act as defect sinks due to the substantial reduction of defect formation energies and migration barriers in close vicinity of the GB center, with either a preference toward interstitials or vacancies which depends on the atomic structure of the boundaries. Finally, using continuous ion bombardment, we investigate the stability of GBs in sever irradiation environment. The results indicate that the sink strength and efficiency of boundaries varies with increasing accumulated defects in GB region. - Highlights: • GBs in hcp Zr are not necessarily biased toward interstitials. • Defect content within bulk depends on PKA energy, PKA distance, and GB texture. • Defect formation energies and diffusion barriers decrease in close vicinity of GBs. • GBs become locally unstable due to absorption of excess defects in ion bombardment.
Atomistic study of two-level systems in amorphous silica
Damart, T.; Rodney, D.
2018-01-01
Internal friction is analyzed in an atomic-scale model of amorphous silica. The potential energy landscape of more than 100 glasses is explored to identify a sample of about 700 two-level systems (TLSs). We discuss the properties of TLSs, particularly their energy asymmetry and barrier as well as their deformation potential, computed as longitudinal and transverse averages of the full deformation potential tensors. The discrete sampling is used to predict dissipation in the classical regime. Comparison with experimental data shows a better agreement with poorly relaxed thin films than well relaxed vitreous silica, as expected from the large quench rates used to produce numerical glasses. The TLSs are categorized in three types that are shown to affect dissipation in different temperature ranges. The sampling is also used to discuss critically the usual approximations employed in the literature to represent the statistical properties of TLSs.
International Nuclear Information System (INIS)
Zabolotskii, A.A.
1995-01-01
The inverse problem is considered for a spectral problem, which is formally equivalent to a system of Bloch equations for an inhomogeneously broadened transition interacting with the electric field. Two cases are considered to demonstrate that, for any given frequency interval, one can determine the pulse of the shape which corresponds to the interaction with only this frequency interval. In the general case, the pulse shape is described by a nonlinear periodic wave. The first example is the resonance interaction of light with a gas of two-level atoms. The second example is interaction of a linearly polarized light with the molecular J-J transition, where J much-gt 1. In the latter case, the role of inhomogeneous broadening belongs to the frequency shift induced by the applied magnetic field. 10 refs
Resonance fluorescence based two- and three-dimensional atom localization
Wahab, Abdul; Rahmatullah; Qamar, Sajid
2016-06-01
Two- and three-dimensional atom localization in a two-level atom-field system via resonance fluorescence is suggested. For the two-dimensional localization, the atom interacts with two orthogonal standing-wave fields, whereas for the three-dimensional atom localization, the atom interacts with three orthogonal standing-wave fields. The effect of the detuning and phase shifts associated with the corresponding standing-wave fields is investigated. A precision enhancement in position measurement of the single atom can be noticed via the control of the detuning and phase shifts.
Energy landscape of all-atom protein-protein interactions revealed by multiscale enhanced sampling.
Directory of Open Access Journals (Sweden)
Kei Moritsugu
2014-10-01
Full Text Available Protein-protein interactions are regulated by a subtle balance of complicated atomic interactions and solvation at the interface. To understand such an elusive phenomenon, it is necessary to thoroughly survey the large configurational space from the stable complex structure to the dissociated states using the all-atom model in explicit solvent and to delineate the energy landscape of protein-protein interactions. In this study, we carried out a multiscale enhanced sampling (MSES simulation of the formation of a barnase-barstar complex, which is a protein complex characterized by an extraordinary tight and fast binding, to determine the energy landscape of atomistic protein-protein interactions. The MSES adopts a multicopy and multiscale scheme to enable for the enhanced sampling of the all-atom model of large proteins including explicit solvent. During the 100-ns MSES simulation of the barnase-barstar system, we observed the association-dissociation processes of the atomistic protein complex in solution several times, which contained not only the native complex structure but also fully non-native configurations. The sampled distributions suggest that a large variety of non-native states went downhill to the stable complex structure, like a fast folding on a funnel-like potential. This funnel landscape is attributed to dominant configurations in the early stage of the association process characterized by near-native orientations, which will accelerate the native inter-molecular interactions. These configurations are guided mostly by the shape complementarity between barnase and barstar, and lead to the fast formation of the final complex structure along the downhill energy landscape.
Interaction of K(nd) Rydberg atoms with an amorphous gold surface
International Nuclear Information System (INIS)
Gray, D.F.
1988-01-01
This thesis reports the first controlled study of the interactions of Rydberg atoms with a metal surface. In these experiments, a collimated beam of potassium Rydberg atoms is directed at a plane surface at near grazing incidence. Positive ions formed by surface ionization are attracted to the surface by their image charge, which is counterbalanced by an external electric field applied perpendicular to the surface. The ions are detected by a position-sensitive detector (PSD). At some critical value of the external field, the ion trajectories just miss the surface, suggesting that analysis of the dependence of the ion signals of external electric field can be used to determine the distance from the surface at which ionization occurs. This distance, and thus the corresponding critical electric field, is expected to be n-dependent. Experimentally, however, it was observed that the ion signal had a sudden n-independent onset when only a small positive perpendicular electric field was applied at the surface. This observation requires, surprisingly, that the ions produced by surface ionization can readily escape from the surface. The data do, however, show that Rydberg atoms are efficiently ionized in collisions with the surface. This process may provide a useful new detection technique for Rydberg atoms
Taninaka, Atsushi; Yoshida, Shoji; Kanazawa, Ken; Hayaki, Eiko; Takeuchi, Osamu; Shigekawa, Hidemi
2016-06-16
Scanning tunneling microscopy/spectroscopy (STM/STS) was carried out to investigate the structures of Mn atoms deposited on a GaAs(110) surface at room temperature to directly observe the characteristics of interactions between Mn atoms in GaAs. Mn atoms were paired with a probability higher than the random distribution, indicating an attractive interaction between them. In fact, re-pairing of unpaired Mn atoms was observed during STS measurement. The pair initially had a new structure, which was transformed during STS measurement into one of those formed by atom manipulation at 4 K. Mn atoms in pairs and trimers were aligned in the direction, which is theoretically predicted to produce a high Curie temperature.
IAEA activities on atomic, molecular and plasma-material interaction data for fusion
Braams, Bastiaan J.; Chung, Hyun-Kyung
2013-09-01
The IAEA Atomic and Molecular Data Unit (http://www-amdis.iaea.org/) aims to provide internationally evaluated and recommended data for atomic, molecular and plasma-material interaction (A+M+PMI) processes in fusion research. The Unit organizes technical meetings and coordinates an A+M Data Centre Network (DCN) and a Code Centre Network (CCN). In addition the Unit organizes Coordinated Research Projects (CRPs), for which the objectives are mixed between development of new data and evaluation and recommendation of existing data. In the area of A+M data we are placing new emphasis in our meeting schedule on data evaluation and especially on uncertainties in calculated cross section data and the propagation of uncertainties through structure data and fundamental cross sections to effective rate coefficients. Following a recent meeting of the CCN it is intended to use electron scattering on Be, Ne and N2 as exemplars for study of uncertainties and uncertainty propagation in calculated data; this will be discussed further at the presentation. Please see http://www-amdis.iaea.org/CRP/ for more on our active and planned CRPs, which are concerned with atomic processes in core and edge plasma and with plasma interaction with beryllium-based surfaces and with irradiated tungsten.
International Nuclear Information System (INIS)
Mogilevtsev, D.S.; Kilin, S.Ya.
1994-08-01
A specific kind of inhibition of atomic decay (''freezing of decay) and intense monochromatic collective radiation are predicted for a single two-level atom and for a system of atoms interacting with the field bath having the gap in the spectrum of coupling constants. (author). 10 refs, 5 figs
International Nuclear Information System (INIS)
Ryabtsev, I. I.; Tretyakov, D. B.; Beterov, I. I.; Entin, V. M.
2007-01-01
We have developed a simple analytical model describing multiatom signals that are measured in experiments on dipole-dipole interaction at resonant collisions of a few Rydberg atoms. It has been shown that finite efficiency of the selective field-ionization detector leads to the mixing up of the spectra of resonant collisions registered for various numbers of Rydberg atoms. The formulas which help to estimate an appropriate mean Rydberg atom number for a given detection efficiency are presented. We have found that a measurement of the relation between the amplitudes of collisional resonances observed in the one- and two-atom signals provides a straightforward determination of the absolute detection efficiency and mean Rydberg atom number. We also performed a testing experiment on resonant collisions in a small excitation volume of a sodium atomic beam. The resonances observed for 1-4 detected Rydberg atoms have been analyzed and compared with theory
Systematics of ground state multiplets of atomic nuclei in the delta-interaction approach
Energy Technology Data Exchange (ETDEWEB)
Imasheva, L. T.; Ishkhanov, B. S.; Stepanov, M. E., E-mail: stepanov@depni.sinp.msu.ru [Moscow State University, Faculty of Physics (Russian Federation); Tretyakova, T. Yu. [Moscow State University, Skobeltsyn Institute of Nuclear Physics (Russian Federation)
2015-12-15
Pairing forces between nucleons in an atomic nucleus strongly influence its structure. One of the manifestations of pair interaction is the ground state multiplet (GSM) formation in the spectrum of low-lying excited states of even–even nuclei. The value of GSM splitting is determined by the value of pair interaction of nucleons; for each isotope, it can be estimated on the basis of experimental nuclear masses. The quality of this estimate is characterized by the degree of reproduction of GSM levels in the nucleus. The GSM systematics in even–even nuclei with a pair of identical nucleons in addition to the filled nuclear core is considered on the basis of delta interaction.
Magnetic Interaction between Surface-Engineered Rare-Earth Atomic Spins
Directory of Open Access Journals (Sweden)
Chiung-Yuan Lin
2012-06-01
Full Text Available We report the ab-initio study of rare-earth adatoms (Gd on an insulating surface. This surface is of interest because of previous studies by scanning tunneling microscopy showing spin excitations of transition-metal adatoms. The present work is the first study of rare-earth spin-coupled adatoms, as well as the geometry effect of spin coupling and the underlying mechanism of ferromagnetic coupling. The exchange coupling between Gd atoms on the surface is calculated to be antiferromagnetic in a linear geometry and ferromagnetic in a diagonal geometry. We also find that the Gd dimers in these two geometries are similar to the nearest-neighbor and the next-nearest-neighbor Gd atoms in GdN bulk. We analyze how much direct exchange, superexchange, and Ruderman-Kittel-Kasuya-Yosida interactions contribute to the exchange coupling for both geometries by additional first-principles calculations of related model systems.
Simultaneous multiphoton processes in the interaction of atoms with electromagnetic fields
International Nuclear Information System (INIS)
Levine, A.M.; Schreiber, W.M.; Weiszmann, A.N.
1984-01-01
It is impossible to obtain an exact description of multiphoton processes in the interaction of electromagnetic fields with atomic systems. Approximate approaches must be used to describe the physically different effects that can occur. One effect is the stepwise absorption/emission of many photons by a N-level system that evolves dynamically in between each absorption/emission. Another effect is described in the theories of Raman processes where the simultaneous absorption/emission of many photons is considered. In this paper, consideration is given to both processes allowing interference between the stepwise and simultaneous absorptions. An approximate Hamiltonian is obtained from the quantum mechanical multipole expansion. An exact solution of an atom-field system subject to this Hamiltonian will be presented. The extension of the method to multiple electromagnetic fields is discussed
On the performance of atomic natural orbital basis sets: A full configuration interaction study
International Nuclear Information System (INIS)
Illas, F.; Ricart, J.M.; Rubio, J.; Bagus, P.S.
1990-01-01
The performance of atomic natural orbital (ANO) basis sets has been studied by comparing self-consistant field (SCF) and full configuration interaction (CI) results obtained for the first row atoms and hydrides. The ANO results have been compared with those obtained using a segmented basis set containing the same number of contracted basis functions. The total energies obtained with the ANO basis sets are always lower than the one obtained by using the segmented one. However, for the hydrides, differential electronic correlation energy obtained with the ANO basis set may be smaller than the one recovered with the segmented set. We relate this poorer differential correlation energy for the ANO basis set to the fact that only one contracted d function is used for the ANO and segmented basis sets
Observation of the Borromean Three-Body Förster Resonances for Three Interacting Rb Rydberg Atoms.
Tretyakov, D B; Beterov, I I; Yakshina, E A; Entin, V M; Ryabtsev, I I; Cheinet, P; Pillet, P
2017-10-27
Three-body Förster resonances at long-range interactions of Rydberg atoms were first predicted and observed in Cs Rydberg atoms by Faoro et al. [Nat. Commun. 6, 8173 (2015)NCAOBW2041-172310.1038/ncomms9173]. In these resonances, one of the atoms carries away an energy excess preventing the two-body resonance, leading thus to a Borromean type of Förster energy transfer. But they were in fact observed as the average signal for the large number of atoms N≫1. In this Letter, we report on the first experimental observation of the three-body Förster resonances 3×nP_{3/2}(|M|)→nS_{1/2}+(n+1)S_{1/2}+nP_{3/2}(|M^{*}|) in a few Rb Rydberg atoms with n=36, 37. We have found here clear evidence that there is no signature of the three-body Förster resonance for exactly two interacting Rydberg atoms, while it is present for N=3-5 atoms. This demonstrates the assumption that three-body resonances can generalize to any Rydberg atom. As such resonance represents an effective three-body operator, it can be used to directly control the three-body interactions in quantum simulations and quantum information processing with Rydberg atoms.
A scheme for teleporting Schrdinger-cat states via the dispersive atom-cavity-field interaction
Institute of Scientific and Technical Information of China (English)
无
2002-01-01
A proposal is presented for teleporting Schrding-cat states. The process of the teleportation is achieved through the dispersive atom-cavity-field interaction. In this proposal, only measurement on the cavity field and on the singlet atomic states are used.
Directory of Open Access Journals (Sweden)
Ching-Tai Chen
Full Text Available Protein-protein interactions are key to many biological processes. Computational methodologies devised to predict protein-protein interaction (PPI sites on protein surfaces are important tools in providing insights into the biological functions of proteins and in developing therapeutics targeting the protein-protein interaction sites. One of the general features of PPI sites is that the core regions from the two interacting protein surfaces are complementary to each other, similar to the interior of proteins in packing density and in the physicochemical nature of the amino acid composition. In this work, we simulated the physicochemical complementarities by constructing three-dimensional probability density maps of non-covalent interacting atoms on the protein surfaces. The interacting probabilities were derived from the interior of known structures. Machine learning algorithms were applied to learn the characteristic patterns of the probability density maps specific to the PPI sites. The trained predictors for PPI sites were cross-validated with the training cases (consisting of 432 proteins and were tested on an independent dataset (consisting of 142 proteins. The residue-based Matthews correlation coefficient for the independent test set was 0.423; the accuracy, precision, sensitivity, specificity were 0.753, 0.519, 0.677, and 0.779 respectively. The benchmark results indicate that the optimized machine learning models are among the best predictors in identifying PPI sites on protein surfaces. In particular, the PPI site prediction accuracy increases with increasing size of the PPI site and with increasing hydrophobicity in amino acid composition of the PPI interface; the core interface regions are more likely to be recognized with high prediction confidence. The results indicate that the physicochemical complementarity patterns on protein surfaces are important determinants in PPIs, and a substantial portion of the PPI sites can be predicted
Chen, Ching-Tai; Peng, Hung-Pin; Jian, Jhih-Wei; Tsai, Keng-Chang; Chang, Jeng-Yih; Yang, Ei-Wen; Chen, Jun-Bo; Ho, Shinn-Ying; Hsu, Wen-Lian; Yang, An-Suei
2012-01-01
Protein-protein interactions are key to many biological processes. Computational methodologies devised to predict protein-protein interaction (PPI) sites on protein surfaces are important tools in providing insights into the biological functions of proteins and in developing therapeutics targeting the protein-protein interaction sites. One of the general features of PPI sites is that the core regions from the two interacting protein surfaces are complementary to each other, similar to the interior of proteins in packing density and in the physicochemical nature of the amino acid composition. In this work, we simulated the physicochemical complementarities by constructing three-dimensional probability density maps of non-covalent interacting atoms on the protein surfaces. The interacting probabilities were derived from the interior of known structures. Machine learning algorithms were applied to learn the characteristic patterns of the probability density maps specific to the PPI sites. The trained predictors for PPI sites were cross-validated with the training cases (consisting of 432 proteins) and were tested on an independent dataset (consisting of 142 proteins). The residue-based Matthews correlation coefficient for the independent test set was 0.423; the accuracy, precision, sensitivity, specificity were 0.753, 0.519, 0.677, and 0.779 respectively. The benchmark results indicate that the optimized machine learning models are among the best predictors in identifying PPI sites on protein surfaces. In particular, the PPI site prediction accuracy increases with increasing size of the PPI site and with increasing hydrophobicity in amino acid composition of the PPI interface; the core interface regions are more likely to be recognized with high prediction confidence. The results indicate that the physicochemical complementarity patterns on protein surfaces are important determinants in PPIs, and a substantial portion of the PPI sites can be predicted correctly with
Zhou, Wenting; Rizzuto, Lucia; Passante, Roberto
2018-04-01
We investigate the resonance dipole-dipole interaction energy between two identical atoms, one in the ground state and the other in the excited state, interacting with the electromagnetic field in the presence of a perfectly reflecting plane boundary. The atoms are prepared in a correlated (symmetric or antisymmetric) Bell-type state. Following a procedure due to Dalibard et al. [J. Dalibard et al., J. Phys. (Paris) 43, 1617 (1982);, 10.1051/jphys:0198200430110161700 J. Phys. (Paris) 45, 637 (1984), 10.1051/jphys:01984004504063700], we separate the contributions of vacuum fluctuations and radiation reaction (source) field to the resonance interaction energy between the two atoms and show that only the source field contributes to the interatomic interaction, while vacuum field fluctuations do not. By considering specific geometric configurations of the two-atom system with respect to the mirror and specific choices of dipole orientations, we show that the presence of the mirror significantly affects the resonance interaction energy and that different features appear with respect to the case of atoms in free space, for example, a change in the spatial dependence of the interaction. Our findings also suggest that the presence of a boundary can be exploited to tailor and control the resonance interaction between two atoms, as well as the related energy transfer process. The possibility of observing these phenomena is also discussed.
Spin Accumulation of Spinor Atoms in Optical Lattices
International Nuclear Information System (INIS)
Li Hong; Jiang Zhanfeng
2007-01-01
We obtain an effective spin correlation Hamiltonian describing the interaction of light with a two-level atom, then we investigate the classical trajectory of the two-level atom system by numerical integration of the Heisenberg equation of motion. Our results show that the spin accumulation is a very popular phenomenon as long as the spin character cannot be ignored in the Hamiltonian. We propose experimental protocol to observe this new phenomenon in further experiments.
Cascaded two-photon nonlinearity in a one-dimensional waveguide with multiple two-level emitters
Roy, Dibyendu
2013-01-01
We propose and theoretically investigate a model to realize cascaded optical nonlinearity with few atoms and photons in one-dimension (1D). The optical nonlinearity in our system is mediated by resonant interactions of photons with two-level emitters, such as atoms or quantum dots in a 1D photonic waveguide. Multi-photon transmission in the waveguide is nonreciprocal when the emitters have different transition energies. Our theory provides a clear physical understanding of the origin of nonreciprocity in the presence of cascaded nonlinearity. We show how various two-photon nonlinear effects including spatial attraction and repulsion between photons, background fluorescence can be tuned by changing the number of emitters and the coupling between emitters (controlled by the separation). PMID:23948782
International Nuclear Information System (INIS)
Johnson, W.R.; Dzuba, V.A.; Safronova, U.I.; Safronova, M.S.
2004-01-01
A finite-field scaling method is applied to evaluate the Lennard-Jones interaction constant C 3 for alkali-metal atoms. The calculations are based on the relativistic single-double approximation in which single and double excitations of Dirac-Hartree-Fock wave functions are included to all orders in perturbation theory
Proposal for Translational Entanglement of Dipole-Dipole Interacting Atoms in Optical Lattices
Opatrný, Tomáš; Deb, Bimalendu; Kurizki, Gershon
2003-06-01
We propose and investigate a realization of the position- and momentum-correlated Einstein-Podolsky-Rosen (EPR) states [Phys. Rev. 47, 777 (1935)] that have hitherto eluded detection. The realization involves atom pairs that are confined to adjacent sites of two mutually shifted optical lattices and are entangled via laser-induced dipole-dipole interactions. The EPR “paradox” with translational variables is then modified by lattice-diffraction effects and can be verified to a high degree of accuracy in this scheme.
px+ipy Superfluid from s-Wave Interactions of Fermionic Cold Atoms
International Nuclear Information System (INIS)
Zhang Chuanwei; Tewari, Sumanta; Lutchyn, Roman M.; Das Sarma, S.
2008-01-01
Two-dimensional (p x +ip y ) superfluids or superconductors offer a playground for studying intriguing physics such as quantum teleportation, non-Abelian statistics, and topological quantum computation. Creating such a superfluid in cold fermionic atom optical traps using p-wave Feshbach resonance is turning out to be challenging. Here we propose a method to create a p x +ip y superfluid directly from an s-wave interaction making use of a topological Berry phase, which can be artificially generated. We discuss ways to detect the spontaneous Hall mass current, which acts as a diagnostic for the chiral p-wave superfluid
Collapse and Revival of an Atomic Beam Interacting with a Coherent State Light Field
International Nuclear Information System (INIS)
Ben, Li; Jing-Biao, Chen
2009-01-01
We report on the phenomena of the periodic spontaneous collapse and revival in the dynamics of an atomic beam interacting with a single-mode and coherent-state light field. Conventional collapse and revival by Eberly et al. [Phys. Rev. Lett. 44 (1980) 1323] are presented in the case of the evolution with time of the population inversion. Here, we study the evolution with coupling strength of population inversion. We define the collapse and revival coupling strengths as characteristic parameters to describe the above collapse and revival. Furthermore, we present the analytic formulas for the population inversion, the collapse and revival coupling strengths
Electron, ion and atomic beams interaction with solid high-molecular dielectrics
Energy Technology Data Exchange (ETDEWEB)
Milyavskij, V V; Skvortsov, V A [Russian Academy of Sciences, Moscow (Russian Federation). High Energy Density Research Center
1997-12-31
A mathematical model was constructed and numerical investigation performed of the interaction between intense electron, ion and atomic beams and solid high-molecular dielectrics under various boundary conditions. The model is based on equations of the mechanics of continuum, electrodynamics and kinetics, describing the accumulation and relaxation of space charge and shock-wave processes, as well as the evolution of electric field in the sample. A semi-empirical procedure is proposed for the calculation of energy deposition by electron beam in a target in the presence of a non-uniform electric field. (author). 4 figs., 2 refs.
Interactions between nitrogen molecules and barium atoms on Ru (0001) surface
International Nuclear Information System (INIS)
Zhao Xinxin; Mi Yiming; Xu Hongxia; Wang Lili; Ren Li; Tao Xiangming; Tan Mingqiu
2011-01-01
We had performed first principles calculations on interactions between nitrogen molecules and barium atoms on Ru (0001) surface using density function theory methods. It was shown that effects of barium atoms weakened the bond strength of nitrogen molecules. The bond length of nitrogen molecule increases from 0.113 nm on Ru (001)-N 2 to 0.120 nm on Ru (001)-N 2 /Ba surface. While stretch vibrational frequency of nitrogen molecule decreased from 2222 cm -1 and charge transfer toward nitrogen molecule increased from 0.3 e to 1.1 e. Charge was mainly translated from 6 s orbitals of barium atoms to 4 d orbitals of substrate, which enhanced the hybridization between 4 d and 2 π orbitals and increased the dipole moment of 5 σ and d π orbitals of nitrogen molecule. The molecular dipole moment of nitrogen molecule was increased by -0.136 e Anstrom. It was suggested that barium had some characters to be an electronic promoter on the process of activating nitrogen molecules on Ru (0001) surface. (authors)
Van-der-Waals interaction of atoms in dipolar Rydberg states
Kamenski, Aleksandr A.; Mokhnenko, Sergey N.; Ovsiannikov, Vitaly D.
2018-02-01
An asymptotic expression for the van-der-Waals constant C 6( n) ≈ -0.03 n 12 K p ( x) is derived for the long-range interaction between two highly excited hydrogen atoms A and B in their extreme Stark states of equal principal quantum numbers n A = n B = n ≫ 1 and parabolic quantum numbers n 1(2) = n - 1, n 2(1) = m = 0 in the case of collinear orientation of the Stark-state dipolar electric moments and the interatomic axis. The cubic polynomial K 3( x) in powers of reciprocal values of the principal quantum number x = 1/ n and quadratic polynomial K 2( y) in powers of reciprocal values of the principal quantum number squared y = 1/ n 2 were determined on the basis of the standard curve fitting polynomial procedure from the calculated data for C 6( n). The transformation of attractive van-der-Waals force ( C 6 > 0) for low-energy states n < 23 into repulsive force ( C 6 < 0) for all higher-energy states of n ≥ 23, is observed from the results of numerical calculations based on the second-order perturbation theory for the operator of the long-range interaction between neutral atoms. This transformation is taken into account in the asymptotic formulas (in both cases of p = 2, 3) by polynomials K p tending to unity at n → ∞ ( K p (0) = 1). The transformation from low- n attractive van-der-Waals force into high- n repulsive force demonstrates the gradual increase of the negative contribution to C 6( n) from the lower-energy two-atomic states, of the A(B)-atom principal quantum numbers n'A(B) = n-Δ n (where Δ n = 1, 2, … is significantly smaller than n for the terms providing major contribution to the second-order series), which together with the states of n″B(A) = n+Δ n make the joint contribution proportional to n 12. So, the hydrogen-like manifold structure of the energy spectrum is responsible for the transformation of the power-11 asymptotic dependence C 6( n) ∝ n 11of the low-angular-momenta Rydberg states in many-electron atoms into the power
Li, Yan; Yan, Xiu-ping
2015-09-01
Trace metals may be adopted by biological systems to assist in the syntheses and metabolic functions of genes (DNA and RNA) and proteins in the environment. These metals may be beneficial or may pose a risk to humans and other life forms. Novel hybrid techniques are required for studies on the interaction between different metal species and biomolecules, which is significant for biology, biochemistry, nutrition, agriculture, medicine, pharmacy, and environmental science. In recent years, our group dwells on new hyphenated techniques based on capillary electrophoresis (CE), electrothermal atomic absorption spectrometry (ETAAS), and inductively coupled plasma mass spectroscopy (ICP-MS), and their application for different metal species interaction with biomolecules such as DNA, HSA, and GSH. The CE-ETAAS assay and CE-ICP-MS assay allow sensitively probing the level of biomolecules such as DNA damage by different metal species and extracting the kinetic and thermodynamic information on the interactions of different metal species with biomolecules, provides direct evidences for the formation of different metal species--biomolecule adducts. In addition, the consequent structural information were extracted from circular dichroism (CD) and X-ray photoelectron spectroscopy (XPS), Raman spectroscopy, and Fourier transform infrared (FTIR) spectroscopy. The present works represent the most complete and extensive study to date on the interactions between different metal species with biomolecules, and also provide new evidences for and insights into the interactions of different metal species with biomolecules for further understanding of the toxicological effects of metal species.
Aspects of the theory of atoms and coherent matter and their interaction with electromagnetic fields
Energy Technology Data Exchange (ETDEWEB)
Nilsen, Halvor Moell
2002-07-01
In the present work I have outlined and contributed to the time-dependent theory of the interaction between atoms and electromagnetic fields and the theory of Bose-Einstein condensates. New numerical methods and algorithms have been developed and applied in practice. Calculations have exhibited certain new dynamical features. All these calculations are in a regime where the applied field is of the same magnitude as the atomic field. In the case of BEC we have investigated the use of time-dependent methods to calculate the excitation frequencies. We also investigated the possibility of nonlinear coupling for a scissors mode and found no such contributions to damping which is consistent with other studies . Special emphasis has also been paid to the gyroscopic motion of rotating BEC where several models were investigated. Briefly, the main conclusions are: (1) Rydberg wave packets appear for direct excitations of Rydberg atoms for long pulses. (2) The survival of just a few states is decided by symmetry of the Hamiltonian. (3) For few cycle intense pulses classical and quantum mechanics show remarkable similarity. (4) Time-dependent methods for finding excitation frequencies have been shown to be very efficient. (5) New dynamical features is shown in gyroscopic motion of BEC. (6) It was shown that no nonlinear mixing of scissors modes occur in the standard Gross-Pitaevskii regime. As mentioned in the introduction, this work is a part of very active research fields and new progress is constantly reported. Thus, the present work cannot be concluded as a closed loop. The fast development of grid based numerical solutions for atoms in intense fields will surely make great contribution to solve many of today's problems. It is a very important area of research to understand both nonperturbative atomic response and highly nonlinear optics. In the field of Bose-Einstein condensation the new experimental achievements constantly drive the field forward. The new
Phase diagram of Rydberg atoms with repulsive van der Waals interaction
International Nuclear Information System (INIS)
Osychenko, O. N.; Astrakharchik, G. E.; Boronat, J.; Lutsyshyn, Y.; Lozovik, Yu. E.
2011-01-01
We report a quantum Monte Carlo calculation of the phase diagram of bosons interacting with a repulsive inverse sixth power pair potential, a model for assemblies of Rydberg atoms in the local van der Waals blockade regime. The model can be parametrized in terms of just two parameters, the reduced density and temperature. Solidification happens to the fcc phase. At zero temperature, the transition density is found with the diffusion Monte Carlo method at density ρ=3.9 ((ℎ/2π) 2 /mC 6 ) 3/4 , where C 6 is the strength of the interaction. The solidification curve at nonzero temperature is studied with the path-integral Monte Carlo approach and is compared with transitions in corresponding harmonic and classical crystals. Relaxation mechanisms are considered in relation to present experiments.
Indium-defect interactions in FCC and BCC metals studied using the modified embedded atom method
Energy Technology Data Exchange (ETDEWEB)
Zacate, M. O., E-mail: zacatem1@nku.edu [Northern Kentucky University, Department of Physics, Geology, and Engineering Technology (United States)
2016-12-15
With the aim of developing a transferable potential set capable of predicting defect formation, defect association, and diffusion properties in a wide range of intermetallic compounds, the present study was undertaken to test parameterization strategies for determining empirical pair-wise interaction parameters in the modified embedded atom method (MEAM) developed by Baskes and coworkers. This report focuses on indium-solute and indium-vacancy interactions in FCC and BCC metals, for which a large set of experimental data obtained from perturbed angular correlation measurements is available for comparison. Simulation results were found to be in good agreement with experimental values after model parameters had been adjusted to reproduce as best as possible the following two sets of quantities: (1) lattice parameters, formation enthalpies, and bulk moduli of hypothetical equiatomic compounds with the NaCl crystal structure determined using density functional theory and (2) dilute solution enthalpies in metals as predicted by Miedema’s semi-empirical model.
Energy Technology Data Exchange (ETDEWEB)
Bross, David H.; Parmar, Payal; Peterson, Kirk A., E-mail: kipeters@wsu.edu [Department of Chemistry, Washington State University, Pullman, Washington 99164-4630 (United States)
2015-11-14
The first 6 ionization potentials (IPs) of the uranium atom have been calculated using multireference configuration interaction (MRCI+Q) with extrapolations to the complete basis set limit using new all-electron correlation consistent basis sets. The latter was carried out with the third-order Douglas-Kroll-Hess Hamiltonian. Correlation down through the 5s5p5d electrons has been taken into account, as well as contributions to the IPs due to the Lamb shift. Spin-orbit coupling contributions calculated at the 4-component Kramers restricted configuration interaction level, as well as the Gaunt term computed at the Dirac-Hartree-Fock level, were added to the best scalar relativistic results. The final ionization potentials are expected to be accurate to at least 5 kcal/mol (0.2 eV) and thus more reliable than the current experimental values of IP{sub 3} through IP{sub 6}.
Dislocation-stacking fault tetrahedron interaction: what can we learn from atomic-scale modelling
International Nuclear Information System (INIS)
Osetsky, Yu.N.; Stoller, R.E.; Matsukawa, Y.
2004-01-01
The high number density of stacking fault tetrahedra (SFTs) observed in irradiated fcc metals suggests that they should contribute to radiation-induced hardening and, therefore, taken into account when estimating mechanical properties changes of irradiated materials. The central issue is describing the individual interaction between a moving dislocation and an SFT, which is characterized by a very fine size scale, ∼100 nm. This scale is amenable to both in situ TEM experiments and large-scale atomic modelling. In this paper we present results of an atomistic simulation of dislocation-SFT interactions using molecular dynamics (MD). The results are compared with observations from in situ deformation experiments. It is demonstrated that in some cases the simulations and experimental observations are quite similar, suggesting a reasonable interpretation of experimental observations
Nonlinear Dynamics of Cantilever-Sample Interactions in Atomic Force Microscopy
Cantrell, John H.; Cantrell, Sean A.
2010-01-01
The interaction of the cantilever tip of an atomic force microscope (AFM) with the sample surface is obtained by treating the cantilever and sample as independent systems coupled by a nonlinear force acting between the cantilever tip and a volume element of the sample surface. The volume element is subjected to a restoring force from the remainder of the sample that provides dynamical equilibrium for the combined systems. The model accounts for the positions on the cantilever of the cantilever tip, laser probe, and excitation force (if any) via a basis set of set of orthogonal functions that may be generalized to account for arbitrary cantilever shapes. The basis set is extended to include nonlinear cantilever modes. The model leads to a pair of coupled nonlinear differential equations that are solved analytically using a matrix iteration procedure. The effects of oscillatory excitation forces applied either to the cantilever or to the sample surface (or to both) are obtained from the solution set and applied to the to the assessment of phase and amplitude signals generated by various acoustic-atomic force microscope (A-AFM) modalities. The influence of bistable cantilever modes of on AFM signal generation is discussed. The effects on the cantilever-sample surface dynamics of subsurface features embedded in the sample that are perturbed by surface-generated oscillatory excitation forces and carried to the cantilever via wave propagation are accounted by the Bolef-Miller propagating wave model. Expressions pertaining to signal generation and image contrast in A-AFM are obtained and applied to amplitude modulation (intermittent contact) atomic force microscopy and resonant difference-frequency atomic force ultrasonic microscopy (RDF-AFUM). The influence of phase accumulation in A-AFM on image contrast is discussed, as is the effect of hard contact and maximum nonlinearity regimes of A-AFM operation.
Atomic Ensemble Effects and Non-Covalent Interactions at the Electrode–Electrolyte Interface
Directory of Open Access Journals (Sweden)
Angel Cuesta
2016-09-01
Full Text Available Cyanide-modified Pt(111 electrodes have been recently employed to study atomic ensemble effects in electrocatalysis. This work, which will be briefly reviewed, reveals that the smallest site required for methanol dehydrogenation and formic acid dehydration is composed of three contiguous Pt atoms. By blocking these trigonal sites, the specific adsorption of anions, such as sulfate and phosphate, can be inhibited, thus increasing the rate of oxygen reduction reaction by one order of magnitude or more. Moreover, alkali metal cations affect hydrogen adsorption on cyanide-modified Pt(111. This effect is attributed to the non-covalent interactions at the electrical double layer between specifically adsorbed anions or dipoles and the alkali metal cations. A systematic investigation is conducted on the effect of the concentration of alkali metal cations. Accordingly, a simple model that reproduces the experimental observations accurately and enables the understanding of the trends in the strength of the interaction between M+ and CNad when moving from Li+ to Cs+, as well as the deviations from the expected trends, is developed. This simple model can also explain the occurrence of super-Nernstian shifts of the equilibrium potential of interfacial proton-coupled electron transfers. Therefore, the model can be generally applied to explain quantitatively the effect of cations on the properties of the electrical double layer. The recently reported effects of alkali metal cations on several electrocatalytic reactions must be mediated by the interaction between these cations and chemisorbed species. As these interactions seem to be adequately and quantitatively described by our model, we expect the model to also be useful to describe, explain, and potentially exploit these effects.
International Nuclear Information System (INIS)
Mazzarella, G.; Giampaolo, S. M.; Illuminati, F.
2006-01-01
For systems of interacting, ultracold spin-zero neutral bosonic atoms, harmonically trapped and subject to an optical lattice potential, we derive an Extended Bose Hubbard (EBH) model by developing a systematic expansion for the Hamiltonian of the system in powers of the lattice parameters and of a scale parameter, the lattice attenuation factor. We identify the dominant terms that need to be retained in realistic experimental conditions, up to nearest-neighbor interactions and nearest-neighbor hoppings conditioned by the on-site occupation numbers. In the mean field approximation, we determine the free energy of the system and study the phase diagram both at zero and at finite temperature. At variance with the standard on site Bose Hubbard model, the zero-temperature phase diagram of the EBH model possesses a dual structure in the Mott insulating regime. Namely, for specific ranges of the lattice parameters, a density wave phase characterizes the system at integer fillings, with domains of alternating mean occupation numbers that are the atomic counterparts of the domains of staggered magnetizations in an antiferromagnetic phase. We show as well that in the EBH model, a zero-temperature quantum phase transition to pair superfluidity is, in principle, possible, but completely suppressed at the lowest order in the lattice attenuation factor. Finally, we determine the possible occurrence of the different phases as a function of the experimentally controllable lattice parameters
Dudarev, S. L.; Ma, Pui-Wai
2018-03-01
Density functional theory (DFT) calculations show that self-interstitial atom (SIA) defects in nonmagnetic body-centered-cubic (bcc) metals adopt strongly anisotropic configurations, elongated in the direction [S. Han et al., Phys. Rev. B 66, 220101 (2002), 10.1103/PhysRevB.66.220101; D. Nguyen-Manh et al., Phys. Rev. B 73, 020101 (2006), 10.1103/PhysRevB.73.020101; P. M. Derlet et al., Phys. Rev. B 76, 054107 (2007), 10.1103/PhysRevB.76.054107; S. L. Dudarev, Annu. Rev. Mater. Res. 43, 35 (2013), 10.1146/annurev-matsci-071312-121626]. Elastic distortions, associated with such anisotropic atomic structures, appear similar to distortions around small prismatic dislocation loops, although the extent of this similarity has never been quantified. We derive analytical formulas for the dipole tensors of SIA defects, which show that, in addition to the prismatic dislocation looplike character, the elastic field of a SIA defect also has a significant isotropic dilatation component. Using empirical potentials and DFT calculations, we parametrize dipole tensors of defects for all the nonmagnetic bcc transition metals. This enables a quantitative evaluation of the energy of elastic interaction between the defects, which also shows that in a periodic three-dimensional simple cubic arrangement of crowdions, long-range elastic interactions between a defect and all its images favor a orientation of the defect.
Electron-electron interaction and transfer ionization in fast ion-atom collisions
International Nuclear Information System (INIS)
Voitkiv, A B
2008-01-01
Recently it was pointed out that electron capture occurring in fast ion-atom collisions can proceed via a mechanism which earlier was not considered. In the present paper we study this mechanism in more detail. Similarly as in radiative capture, where the electron transfer occurs due to the interaction with the radiation field and proceeds via emission of a photon, within this mechanism the electron capture is caused by the interaction with another atomic electron leading mainly to the emission of the latter. In contrast to the electron-electron Thomas capture, this electron-electron (E-E) mechanism is basically a first-order one having similarities to the kinematic and radiative capture channels. It also possesses important differences with the latter two. Leading to transfer ionization, this first-order capture mechanism results in the electron emission mainly in the direction opposite to the motion of the projectile ion. The same, although less pronounced, feature is also characteristic for the momenta of the target recoil ions produced via this mechanism. It is also shown that the action of the E-E mechanism is clearly seen in recent experimental data on the transfer ionization in fast proton-helium collisions.
Facchinetti, G.; Ruostekoski, J.
2018-02-01
We study strong, light-mediated, resonant dipole-dipole interactions in two-dimensional planar lattices of cold atoms. We provide a detailed analysis for the description of the dipolar point emitter lattice plane as a "superatom" whose response is similar to electromagnetically induced transparency but which exhibits an ultranarrow collective size-dependent subradiant resonance linewidth. The superatom model provides intuitively simple descriptions for the spectral response of the array, including the complete reflection, full transmission, narrow Fano resonances, and asymptotic expressions for the resonance linewidths of the collective eigenmodes. We propose a protocol to transfer almost the entire radiative excitation to a single correlated subradiant eigenmode in a lattice and show that the medium obtained by stacked lattice arrays can form a cooperative magnetometer. Such a magnetometer utilizes similar principles as magnetometers based on the electromagnetically induced transparency. The accuracy of the cooperative magnetometer, however, is not limited by the single-atom resonance linewidth but the much narrower collective linewidth that results from the strong dipole-dipole interactions.
Visualising the Micro World of Chemical/Geochemical Interactions Using Atomic Force Microscopy (AFM)
Energy Technology Data Exchange (ETDEWEB)
Graham, G M; Sorbie, K S
1997-12-31
Scanning force microscopy, in particular AFM (Atomic Force Microscopy), provides a particular useful and interesting tool for the examination of surface structure at the near-atomic level. AFM is particularly well suited to the study of interactions at the surface in aqueous solutions using real time in-situ measurements. In this paper there is presented AFM images showing in situ crystal growth from supersaturated BaSO{sub 4} solutions onto the surface of barite. Growth structures in the form of spiral crystal growth features, presumably originating from screw dislocations, are illustrated. AFM images of novel scale crystal growth inhibition experiments are presented. Examination of the manner in which generically different species adsorb onto growth structures may help to explain mechanistic differences in the way which different inhibitor species perform against barium sulphate scale formation. Adsorption of polyacrylamide species onto mica surfaces have been viewed. The general utility of AFM to a number of other common surface interactions in oil field chemistry will be discussed. 17 refs., 3 figs.
International Nuclear Information System (INIS)
Colonna, G.; Pietanza, L.D.; D’Ammando, G.
2012-01-01
Graphical abstract: Self-consistent coupling between radiation, state-to-state kinetics, electron kinetics and fluid dynamics. Highlight: ► A CR model of shock-wave in hydrogen plasma has been presented. ► All equations have been coupled self-consistently. ► Non-equilibrium electron and level distributions are obtained. ► The results show non-local effects and non-equilibrium radiation. - Abstract: A collisional-radiative model for hydrogen atom, coupled self-consistently with the Boltzmann equation for free electrons, has been applied to model a shock tube. The kinetic model has been completed considering atom–atom collisions and the vibrational kinetics of the ground state of hydrogen molecules. The atomic level kinetics has been also coupled with a radiative transport equation to determine the effective adsorption and emission coefficients and non-local energy transfer.
Precision Tests of the Electroweak Interaction using Trapped Atoms and Ions
Energy Technology Data Exchange (ETDEWEB)
Melconian, Daniel George [Texas A & M Univ., College Station, TX (United States)
2017-06-21
The objective of the proposed research is to study fundamental aspects of the electroweak interaction via precision measurements in beta decay to test our current understanding of fundamental particles and forces as contained in the so-called "Standard Model" of particle physics. By comparing elegant experiments to rigorous theoretical predictions, we will either confirm the Standard Model to a higher degree and rule out models which seek to extend it, or find evidence of new physics and help guide theorists in developing the New Standard Model. The use of ion and neutral atom traps at radioactive ion beam facilities has opened up a new vista in precision low-energy nuclear physics experiments. Traps provide an ideal source of decaying atoms: they can be extremely cold (~1 mK); they are compact (~1 mm^3); and perhaps most importantly, the daughter particles escape with negligible distortions to their momenta in a scattering-free, open environment. The project is taking advantage of these technologies and applying them to precision beta-decay studies at radioactive beam facilities. The program consists of two complementary efforts: 1) Ion traps are an extremely versatile tool for purifying, cooling and bunching low-energy beams of short-lived nuclei. A large-bore (210~mm) superconducting 7-Tesla solenoid is at the heart of a Penning trap system for which there is a dedicated beamline at T-REX, the upgraded radioactive beam facility at the Cyclotron Institute, Texas A&M University. In addition to providing a general-purpose decay station, the flagship program for this system is measuring the ft-values and beta-neutrino correlation parameters from isospin T=2 superallowed beta-delayed proton decays, complimenting and expanding the already strong program in fundamental interactions at the Institute. 2) A magneto-optical trap is being used at the TRIUMF Neutral Atom Trap facility to observe the (un)polarized angular distribution parameters of isotopes of potassium. We
Atomic and plasma-material interaction data for fusion. Vol. 13
International Nuclear Information System (INIS)
Clark, R.E.H.
2007-01-01
of the A+M Subcommittee of the International Fusion Research Council in May 2000 to initiate a Coordinated Research Project (CRP) to address data needs in this area. The Atomic and Molecular Data of the International Atomic Energy Agency initiated the CRP on 'Atomic and Molecular Data for Fusion Plasma Diagnostics' in 2001. Results from this CRP will be incorporated into the A+M Data Unit databases and will be available through the worldwide-web for global access by researchers. These data will be of interest not only for direct fusion applications, but in other research plasma studies used in accelerators, environmental research and other fields. The work of the CRP was completed in 2005. During the course of the Coordinated Research Project, new data were generated for a variety of processes impacting on a number of diagnostic procedures for fusion plasmas: spectral observations near the strike zone and divertor (where alpha particles interact with molecules) require a variety of cross-section data that have been measured and calculated during the current work programme; helium beam diagnostics from fast to thermal require cross-section data for both electron and proton impact, that have been generated during the current work programme; data have been produced for use in the determination of species from light elements such as helium, boron and hydrocarbons, as well as heavy elements such as tungsten; large amounts of data on spectral properties were generated to assist in the spectral analysis of plasma emissions; X-ray emissions from impact on surfaces have been studied and quantified; data have been generated for use in hydrogen charge exchange spectroscopy for the determination of the flow and temperature of impurities in the divertor region. The CRP on 'Atomic and molecular data for plasma diagnosis' has been very successful in meeting all of the objectives established at the beginning of the project. The present volume of Atomic and Plasma
Jasper, Julia B; Humbeck, Lina; Brinkjost, Tobias; Koch, Oliver
2018-03-16
Protein ligand interaction fingerprints are a powerful approach for the analysis and assessment of docking poses to improve docking performance in virtual screening. In this study, a novel interaction fingerprint approach (PADIF, protein per atom score contributions derived interaction fingerprint) is presented which was specifically designed for utilising the GOLD scoring functions' atom contributions together with a specific scoring scheme. This allows the incorporation of known protein-ligand complex structures for a target-specific scoring. Unlike many other methods, this approach uses weighting factors reflecting the relative frequency of a specific interaction in the references and penalizes destabilizing interactions. In addition, and for the first time, an exhaustive validation study was performed that assesses the performance of PADIF and two other interaction fingerprints in virtual screening. Here, PADIF shows superior results, and some rules of thumb for a successful use of interaction fingerprints could be identified.
High Intensity Femtosecond XUV Pulse Interactions with Atomic Clusters: Final Report
Energy Technology Data Exchange (ETDEWEB)
Ditmire, Todd [Univ. of Texas, Austin, TX (United States). Center for High Energy Density Science
2016-10-12
We propose to expand our recent studies on the interactions of intense extreme ultraviolet (XUV) femtosecond pulses with atomic and molecular clusters. The work described follows directly from work performed under BES support for the past grant period. During this period we upgraded the THOR laser at UT Austin by replacing the regenerative amplifier with optical parametric amplification (OPA) using BBO crystals. This increased the contrast of the laser, the total laser energy to ~1.2 J , and decreased the pulse width to below 30 fs. We built a new all reflective XUV harmonic beam line into expanded lab space. This enabled an increase influence by a factor of 25 and an increase in the intensity by a factor of 50. The goal of the program proposed in this renewal is to extend this class of experiments to available higher XUV intensity and a greater range of wavelengths. In particular we plan to perform experiments to confirm our hypothesis about the origin of the high charge states in these exploding clusters, an effect which we ascribe to plasma continuum lowering (ionization potential depression) in a cluster nano-plasma. To do this we will perform experiments in which XUV pulses of carefully chosen wavelength irradiate clusters composed of only low-Z atoms and clusters with a mixture of this low-Z atom with higher Z atoms. The latter clusters will exhibit higher electron densities and will serve to lower the ionization potential further than in the clusters composed only of low Z atoms. This should have a significant effect on the charge states produced in the exploding cluster. We will also explore the transition of explosions in these XUV irradiated clusters from hydrodynamic expansion to Coulomb explosion. The work proposed here will explore clusters of a wider range of constituents, including clusters from solids. Experiments on clusters from solids will be enabled by development we performed during the past grant period in which we constructed and
Willemsen, O.H.; Kuipers, L.; van der Werf, Kees; de Grooth, B.G.; Greve, Jan
2000-01-01
The thermal movement of an atomic force microscope (AFM) tip is used to reconstruct the tip-surface interaction potential. If a tip is brought into the vicinity of a surface, its movement is governed by the sum of the harmonic cantilever potential and the tip-surface interaction potential. By
Grimme, Stefan; Brandenburg, Jan Gerit; Bannwarth, Christoph; Hansen, Andreas
2015-08-07
A density functional theory (DFT) based composite electronic structure approach is proposed to efficiently compute structures and interaction energies in large chemical systems. It is based on the well-known and numerically robust Perdew-Burke-Ernzerhoff (PBE) generalized-gradient-approximation in a modified global hybrid functional with a relatively large amount of non-local Fock-exchange. The orbitals are expanded in Ahlrichs-type valence-double zeta atomic orbital (AO) Gaussian basis sets, which are available for many elements. In order to correct for the basis set superposition error (BSSE) and to account for the important long-range London dispersion effects, our well-established atom-pairwise potentials are used. In the design of the new method, particular attention has been paid to an accurate description of structural parameters in various covalent and non-covalent bonding situations as well as in periodic systems. Together with the recently proposed three-fold corrected (3c) Hartree-Fock method, the new composite scheme (termed PBEh-3c) represents the next member in a hierarchy of "low-cost" electronic structure approaches. They are mainly free of BSSE and account for most interactions in a physically sound and asymptotically correct manner. PBEh-3c yields good results for thermochemical properties in the huge GMTKN30 energy database. Furthermore, the method shows excellent performance for non-covalent interaction energies in small and large complexes. For evaluating its performance on equilibrium structures, a new compilation of standard test sets is suggested. These consist of small (light) molecules, partially flexible, medium-sized organic molecules, molecules comprising heavy main group elements, larger systems with long bonds, 3d-transition metal systems, non-covalently bound complexes (S22 and S66×8 sets), and peptide conformations. For these sets, overall deviations from accurate reference data are smaller than for various other tested DFT methods
International Nuclear Information System (INIS)
Grimme, Stefan; Brandenburg, Jan Gerit; Bannwarth, Christoph; Hansen, Andreas
2015-01-01
A density functional theory (DFT) based composite electronic structure approach is proposed to efficiently compute structures and interaction energies in large chemical systems. It is based on the well-known and numerically robust Perdew-Burke-Ernzerhoff (PBE) generalized-gradient-approximation in a modified global hybrid functional with a relatively large amount of non-local Fock-exchange. The orbitals are expanded in Ahlrichs-type valence-double zeta atomic orbital (AO) Gaussian basis sets, which are available for many elements. In order to correct for the basis set superposition error (BSSE) and to account for the important long-range London dispersion effects, our well-established atom-pairwise potentials are used. In the design of the new method, particular attention has been paid to an accurate description of structural parameters in various covalent and non-covalent bonding situations as well as in periodic systems. Together with the recently proposed three-fold corrected (3c) Hartree-Fock method, the new composite scheme (termed PBEh-3c) represents the next member in a hierarchy of “low-cost” electronic structure approaches. They are mainly free of BSSE and account for most interactions in a physically sound and asymptotically correct manner. PBEh-3c yields good results for thermochemical properties in the huge GMTKN30 energy database. Furthermore, the method shows excellent performance for non-covalent interaction energies in small and large complexes. For evaluating its performance on equilibrium structures, a new compilation of standard test sets is suggested. These consist of small (light) molecules, partially flexible, medium-sized organic molecules, molecules comprising heavy main group elements, larger systems with long bonds, 3d-transition metal systems, non-covalently bound complexes (S22 and S66×8 sets), and peptide conformations. For these sets, overall deviations from accurate reference data are smaller than for various other tested DFT
Energy Technology Data Exchange (ETDEWEB)
Mironchuk, E. S.; Narits, A. A.; Lebedev, V. S., E-mail: vlebedev@sci.lebedev.ru [Russian Academy of Sciences, Lebedev Physical Institute (Russian Federation)
2015-11-15
The resonant mechanism of interaction of alkaline-earth atoms having a low electron affinity to Rydberg atoms in circular (l = vertical bar m vertical bar = n–1) and near-circular states has been studied. To describe the dynamics of resonant processes accompanied by nonadiabatic transitions between ionic and Rydberg covalent terms of a quasimolecule, an approach based on the integration of coupled equations for the probability amplitudes has been developed taking into account the possibility of the decay of an anion in the Coulomb field of the positive ionic core of a highly excited atom. The approach involves the specific features of the problem associated with the structure of the wavefunction of a Rydberg electron in states with high orbital angular momenta l ∼ n–1. This approach provides a much more accurate description of the dynamics of electronic transitions at collisions between atoms than that within the modified semiclassical Landau–Zener model. In addition, this approach makes it possible to effectively take into account many channels of the problem. The cross sections for resonant quenching of Rydberg states of the Li(nlm) atom with given principal n, orbital l = n–1, and magnetic m quantum numbers at thermal collisions with the Ca(4s{sup 2}) and Sr(5s{sup 2}) atoms have been calculated. The dependences of the results on n, m, and angle α between the relative velocity of the atoms and the normal to the plane of the orbit of the Rydberg electron have been obtained. The influence of orientational effects on the efficiency of the collisional destruction of circular and near-circular states has been studied. The results indicate a higher stability of such states to their perturbations by neutral particles as compared to usually studied nl states with low values of l (l ≪ n)
Entropy squeezing of the field interacting with a nearly degenerate V-type three-level atom
Institute of Scientific and Technical Information of China (English)
Zhou Qing-Chun; Zhu Shi-Ning
2005-01-01
The position- and momentum-entopic squeezing properties of the optical field in the system of a nearly degenerate three-level atom interacting with a single-mode field are investigated. Calculation results indicate that when the field is initially in the vacuum state, it may lead to squeezing of the position entropy or the momentum entropy of the field if the atom is prepared properly. The effects of initial atomic state and the splitting of the excited levels of the atom on field entropies are discussed in this case. When the initial field is in a coherent state, we find that position-entropy squeezing of the field is present even if the atom is prepared in the ground state. By comparing the variance squeezing and entropy squeezing of the field we confirm that entropy is more sensitive than variance in measuring quantum fluctuations.
Institute of Scientific and Technical Information of China (English)
CHEN Chang-Yong
2006-01-01
A scheme for approximately and conditionally teleporting an unknown atomic state via two-photon interaction in cavity QED is proposed. It is the extension of the scheme of Ref. [11] [Phys. Rev. A 69 (2004) 064302], which is based on Jaynes-Cummings model in QED and where only a time point of system evolution and the corresponding fidelity implementing the teleportation are given. In our scheme, the two-photon interaction Jaynes-Cummings model is used to realize the approximate and conditional teleportation. Our scheme does not involve the Bell-state measurement and an additional atom, only requiring two atoms and one single-mode cavity. The fidelity of the scheme is higher than that of Ref. [11]. The scheme may be generalized to not only the teleportation of the state of a cavity mode to another mode by means of a single atom but also the teleportation of the state of a trapped ion.
International Nuclear Information System (INIS)
Eccles, J.; Secrest, D.
1977-01-01
A study is made of the ''conservation of the total cross section'' and the ''equivalence of the total cross section'' rules for scattering from H 2 . It is shown that these rules are a better approximation than the random phase approximation would indicate. Cross section formulas are given for scattering atoms from m/sub j/ state selected molecules and it is shown that total cross sections for state selected molecules depend on the anisotropic part of the interaction potential, while the spin-averaged total cross section often depends only on the spherically symmetric part of the interaction potential. The total spin-averaged cross section is thus independent of the initial rotation state of the molecule and depends only on the relative collision energy. It is further demonstrated that isotopic substitution, which shifts the center of mass changing the symmetric part of the interaction potential, has too small an effect on the total cross section to be useful as a means of determining the anisotropy of the potential
An Atomic Force Microscopy Study of the Interactions Involving Polymers and Silane Networks
Directory of Open Access Journals (Sweden)
Rodrigo L. Oréfice
1998-12-01
Full Text Available ABSTRACT: Silane coupling agents have been frequently used as interfacial agents in polymer composites to improve interfacial strength and resistance to fluid migration. Although the capability of these agents in improving properties and performance of composites has been reported, there are still many uncertainties regarding the processing-structure-property relationships and the mechanisms of coupling developed by silane agents. In this work, an Atomic Force Microscope (AFM was used to measure interactions between polymers and silica substrates, where silane networks with a series of different structures were processed. The influence of the structure of silane networks on the interactions with polymers was studied and used to determine the mechanisms involved in the coupling phenomenon. The AFM results showed that phenomena such as chain penetration, entanglements, intersegment bonding, chain conformation in the vicinities of rigid surfaces were identified as being relevant for the overall processes of adhesion and adsorption of polymeric chains within a silane network. AFM adhesion curves showed that penetration of polymeric chains through a more open silane network can lead to higher levels of interactions between polymer and silane agents.
Near-threshold effects in ionization of atoms (post collision interaction)
International Nuclear Information System (INIS)
Amus'ya, M.Ya.; Kuchiev, M.Yu.; Shejnerman, S.A.
1979-01-01
The special class of phenomena of the post collision interaction PCI taking place in case of inelastic electron scattering on atoms, when the incident electron energy is close to the excitement threshold of an autoionization state, is studied. The quantitative quantum-mechanical theory of the PCI is developed. The theory is based only on the supposition that the change of the field in which a slow electron moves takes place in such a small time interval that the interaction of a fast and slow electron can be neglected. The possibility of carrying out calculations giving the direct comparison with the experimental results are shown in the concrete examples. All possible PCI effects such as the shift of the maximum in the energy distribution of fast (or slow) electrons, the asymmetry of the contour form and its broadening, the change of the angular distribution of slow electrons, have been practically illustrated. It is shown that the interaction of a slow electron and a vacancy in the final state essentially affects the process characteristics. Taking into account PCI in the concrete process calculations made it possible to get an acceptable agreement with the available experimental data
First-principles calculations of the interaction between hydrogen and 3d alloying atom in nickel
Energy Technology Data Exchange (ETDEWEB)
Liu, Wenguan, E-mail: liuwenguan@sinap.ac.cn [Shanghai Institute of Applied Physics, Chinese Academy of Sciences, Shanghai 201800 (China); Key Laboratory of Nuclear Radiation and Nuclear Energy Technology, Chinese Academy of Sciences, Shanghai 201800 (China); Qian, Yuan; Zhang, Dongxun [Shanghai Institute of Applied Physics, Chinese Academy of Sciences, Shanghai 201800 (China); Key Laboratory of Nuclear Radiation and Nuclear Energy Technology, Chinese Academy of Sciences, Shanghai 201800 (China); Liu, Wei, E-mail: liuwei@sinap.ac.cn [Shanghai Institute of Applied Physics, Chinese Academy of Sciences, Shanghai 201800 (China); Key Laboratory of Nuclear Radiation and Nuclear Energy Technology, Chinese Academy of Sciences, Shanghai 201800 (China); Han, Han [Shanghai Institute of Applied Physics, Chinese Academy of Sciences, Shanghai 201800 (China); Key Laboratory of Nuclear Radiation and Nuclear Energy Technology, Chinese Academy of Sciences, Shanghai 201800 (China)
2015-10-15
Knowledge of the behavior of hydrogen (H) in Ni-based alloy is essential for the prediction of Tritium behavior in Molten Salt Reactor. First-principles calculations were performed to investigate the interaction between H and 3d transition metal (TM) alloying atom in Ni-based alloy. H prefers the octahedral interstitial site to the tetrahedral interstitial site energetically. Most of the 3d TM elements (except Zn) attract H. The attraction to H in the Ni–TM–H system can be mainly attributed to the differences in electronegativity. With the large electronegativity, H and Ni gain electrons from the other TM elements, resulting in the enhanced Ni–H bonds which are the source of the attraction to H in the Ni–TM–H system. The obviously covalent-like Cr–H and Co–H bindings are also beneficial to the attraction to H. On the other hand, the repulsion to H in the Ni–Zn–H system is due to the stable electronic configuration of Zn. We mainly utilize the results calculated in 32-atom supercell which corresponds to the case of a relatively high concentration of hydrogen. Our results are in good agreement with the experimental ones.
Dynamics of gas-surface interactions atomic-level understanding of scattering processes at surfaces
Díez Muniño, Ricardo
2013-01-01
This book gives a representative survey of the state of the art of research on gas-surface interactions. It provides an overview of the current understanding of gas surface dynamics and, in particular, of the reactive and non-reactive processes of atoms and small molecules at surfaces. Leading scientists in the field, both from the theoretical and the experimental sides, write in this book about their most recent advances. Surface science grew as an interdisciplinary research area over the last decades, mostly because of new experimental technologies (ultra-high vacuum, for instance), as well as because of a novel paradigm, the ‘surface science’ approach. The book describes the second transformation which is now taking place pushed by the availability of powerful quantum-mechanical theoretical methods implemented numerically. In the book, experiment and theory progress hand in hand with an unprecedented degree of accuracy and control. The book presents how modern surface science targets the atomic-level u...
Atomic and plasma-material interaction data for fusion. V. 5
International Nuclear Information System (INIS)
1994-01-01
Volume 5 of the supplements on ''atomic and plasma-material interaction data for fusion'' to the journal ''Nuclear Fusion'' is devoted to a critical assessment of the physical and thermo-mechanical properties of presently considered candidate plasma-facing and structural materials for next-generation thermonuclear fusion devices. It contains 9 papers. The subjects are: (i) requirements and selection criteria for plasma-facing materials and components in the ITER EDA (Engineering Design Activities) design; (ii) thermomechanical properties of Beryllium; (iii) material properties data for fusion reactor plasma-facing carbon-carbon composites; (iv) high-Z candidate plasma facing materials; (v) recommended property data for Molybdenum, Niobium and Vanadium alloys; (vi) copper alloys for high heat flux structure applications; (vii) erosion of plasma-facing materials during a tokamak disruption; (viii) runaway electron effects; and (ix) data bases for thermo-hydrodynamic coupling with coolants. Refs, figs, tabs
Roy, Chiranjeeb
In this thesis we study the role of nonradiative degrees of freedom on quantum optical properties of mesoscopic quantum dots placed in the structured electromagnetic reservoir of a photonic crystal. We derive a quantum theory of the role of acoustic and optical phonons in modifying the optical absorption lineshape, polarization dynamics, and population dynamics of a two-level atom (quantum dot) in the "colored" electromagnetic vacuum of a photonic band gap (PBG) material. This is based on a microscopic Hamiltonian describing both radiative and vibrational processes quantum mechanically. Phonon sidebands in an ordinary electromagnetic reservoir are recaptured in a simple model of optical phonons using a mean-field factorization of the atomic and lattice displacement operators. Our formalism is then used to treat the non-Markovian dynamics of the same system within the structured electromagnetic density of states of a photonic crystal. We elucidate the extent to which phonon-assisted decay limits the lifetime of a single photon-atom bound state and derive the modified spontaneous emission dynamics due to coupling to various phonon baths. We demonstrate that coherent interaction with undamped phonons can lead to enhanced lifetime of a photon-atom bound state in a PBG by (i) dephasing and reducing the transition electric dipole moment of the atom and (ii) reducing the quantum mechanical overlap of the state vectors of the excited and ground state (polaronic shift). This results in reduction of the steady-state atomic polarization but an increase in the fractionalized upper state population in the photon-atom bound state. We demonstrate, on the other hand, that the lifetime of the photon-atom bound state in a PBG is limited by the lifetime of phonons due to lattice anharmonicities (break-up of phonons into lower energy phonons) and purely nonradiative decay. We demonstrate how these additional damping effects limit the extent of the polaronic (Franck-Condon) shift of
Pairwise additivity in the nuclear magnetic resonance interactions of atomic xenon.
Hanni, Matti; Lantto, Perttu; Vaara, Juha
2009-04-14
Nuclear magnetic resonance (NMR) of atomic (129/131)Xe is used as a versatile probe of the structure and dynamics of various host materials, due to the sensitivity of the Xe NMR parameters to intermolecular interactions. The principles governing this sensitivity can be investigated using the prototypic system of interacting Xe atoms. In the pairwise additive approximation (PAA), the binary NMR chemical shift, nuclear quadrupole coupling (NQC), and spin-rotation (SR) curves for the xenon dimer are utilized for fast and efficient evaluation of the corresponding NMR tensors in small xenon clusters Xe(n) (n = 2-12). If accurate, the preparametrized PAA enables the analysis of the NMR properties of xenon clusters, condensed xenon phases, and xenon gas without having to resort to electronic structure calculations of instantaneous configurations for n > 2. The binary parameters for Xe(2) at different internuclear distances were obtained at the nonrelativistic Hartree-Fock level of theory. Quantum-chemical (QC) calculations at the corresponding level were used to obtain the NMR parameters of the Xe(n) (n = 2-12) clusters at the equilibrium geometries. Comparison of PAA and QC data indicates that the direct use of the binary property curves of Xe(2) can be expected to be well-suited for the analysis of Xe NMR in the gaseous phase dominated by binary collisions. For use in condensed phases where many-body effects should be considered, effective binary property functions were fitted using the principal components of QC tensors from Xe(n) clusters. Particularly, the chemical shift in Xe(n) is strikingly well-described by the effective PAA. The coordination number Z of the Xe site is found to be the most important factor determining the chemical shift, with the largest shifts being found for high-symmetry sites with the largest Z. This is rationalized in terms of the density of virtual electronic states available for response to magnetic perturbations.
Nanoparticle-nanoparticle interactions in biological media by Atomic Force Microscopy
Pyrgiotakis, Georgios; Blattmann, Christoph O.; Pratsinis, Sotiris; Demokritou, Philip
2015-01-01
Particle-particle interactions in physiological media are important determinants for nanoparticle fate and transport. Herein, such interactions are assessed by a novel Atomic Force Microscopy (AFM) based platform. Industry-relevant CeO2, Fe2O3, and SiO2 nanoparticles of various diameters were made by the flame spray pyrolysis (FSP) based Harvard Versatile Engineering Nanomaterials Generation System (Harvard VENGES). The nanoparticles were fully characterized structurally and morphologically and their properties in water and biological media were also assessed. The nanoparticles were attached on AFM tips and deposited on Si substrates to measure particle–particle interactions. The corresponding force was measured in air, water and biological media that are widely used in toxicological studies. The presented AFM based approach can be used to assess the agglomeration potential of nanoparticles in physiological fluids. The agglomeration potential of CeO2 nanoparticles in water and RPMI 1640 (Roswell Park Memorial Institute formulation 1640) was inversely proportional to their primary particle (PP) diameter, but for Fe2O3 nanoparticles, that potential is independent of PP diameter in these media. Moreover, in RPMI+10% Fetal Bovine Serum (FBS) the corona thickness and dispersibility of the CeO2 is independent of PP diameter while for Fe2O3, the corona thickness and dispersibility were inversely proportional to PP diameter. The present method can be combined with (dynamic light scattering (DLS), proteomics, and computer simulations to understand the nano-bio interactions, with emphasis on the agglomeration potential of nanoparticles and their transport in physiological media. PMID:23978039
Stylianou, A.; Yova, D.; Alexandratou, E.; Petri, A.
2013-02-01
Collagen is the major fibrous protein in the extracellular matrix and consists a significant component of skin, bone, cartilage and tendon. Due to its unique properties, it has been widely used as scaffold or culture substrate for tissue regeneration or/and cell-substrate interaction studies. The ultraviolet light-collagen interaction investigations are crucial for the improvement of many applications such as that of the UV irradiation in the field of biomaterials, as sterilizing and photo-cross-linking method. The aim of this paper was to investigate the mechanisms of UV-collagen interactions by developing a collagen-based, well characterized, surface with controlled topography of collagen thin films in the nanoscale range. The methodology was to quantify the collagen surface modification induced on ultraviolet radiation and correlate it with changes induced in cells. Surface nanoscale characterization was performed by Atomic Force Microscopy (AFM) which is a powerful tool and offers quantitative and qualitative information with a non-destructive manner. In order to investigate cells behavior, the irradiated films were used for in vitro cultivation of human skin fibroblasts and the cells morphology, migration and alignment were assessed with fluorescence microscopy imaging and image processing methods. The clarification of the effects of UV light on collagen thin films and the way of cells behavior to the different modifications that UV induced to the collagen-based surfaces will contribute to the better understanding of cell-matrix interactions in the nanoscale and will assist the appropriate use of UV light for developing biomaterials.
The correlation between fragility, density, and atomic interaction in glass-forming liquids
Energy Technology Data Exchange (ETDEWEB)
Wang, Lijin; Guan, Pengfei, E-mail: pguan@csrc.ac.cn [Beijing Computational Science Research Center, Beijing 100193 (China); Wang, W. H. [Institute of Physics, Chinese Academy of Sciences, Beijing 100190 (China)
2016-07-21
The fragility that controls the temperature-dependent viscous properties of liquids as the glass transition is approached, in various glass-forming liquids with different softness of the repulsive part of atomic interactions at different densities, is investigated by molecular dynamic simulations. We show that the landscape of fragility in purely repulsive systems can be separated into three regions denoted as R{sub I,} R{sub II}, and R{sub III}, respectively, with qualitatively disparate dynamic behaviors: R{sub I} which can be described by “softness makes strong glasses,” R{sub II} where fragility is independent of softness and can only be tuned by density, and R{sub III} with constant fragility, suggesting that density plays an unexpected role for understanding the repulsive softness dependence of fragility. What is more important is that we unify the long-standing inconsistence with respect to the repulsive softness dependence of fragility by observing that a glass former can be tuned more fragile if nonperturbative attraction is added into it. Moreover, we find that the vastly dissimilar influences of attractive interaction on fragility could be estimated from the structural properties of related zero-temperature glasses.
The correlation between fragility, density, and atomic interaction in glass-forming liquids
International Nuclear Information System (INIS)
Wang, Lijin; Guan, Pengfei; Wang, W. H.
2016-01-01
The fragility that controls the temperature-dependent viscous properties of liquids as the glass transition is approached, in various glass-forming liquids with different softness of the repulsive part of atomic interactions at different densities, is investigated by molecular dynamic simulations. We show that the landscape of fragility in purely repulsive systems can be separated into three regions denoted as R I, R II , and R III , respectively, with qualitatively disparate dynamic behaviors: R I which can be described by “softness makes strong glasses,” R II where fragility is independent of softness and can only be tuned by density, and R III with constant fragility, suggesting that density plays an unexpected role for understanding the repulsive softness dependence of fragility. What is more important is that we unify the long-standing inconsistence with respect to the repulsive softness dependence of fragility by observing that a glass former can be tuned more fragile if nonperturbative attraction is added into it. Moreover, we find that the vastly dissimilar influences of attractive interaction on fragility could be estimated from the structural properties of related zero-temperature glasses.
Emerging bosons with three-body interactions from spin-1 atoms in optical lattices
International Nuclear Information System (INIS)
Mazza, L.; Rizzi, M.; Cirac, J. I.; Lewenstein, M.
2010-01-01
We study two many-body systems of bosons interacting via an infinite three-body contact repulsion in a lattice: a pairs quasicondensate induced by correlated hopping and the discrete version of the Pfaffian wave function. We propose to experimentally realize systems characterized by such interaction by means of a proper spin-1 lattice Hamiltonian: spin degrees of freedom are locally mapped into occupation numbers of emerging bosons, in a fashion similar to spin-1/2 and hardcore bosons. Such a system can be realized with ultracold spin-1 atoms in a Mott insulator with a filling factor of 1. The high versatility of these setups allows us to engineer spin-hopping operators breaking the SU(2) symmetry, as needed to approximate interesting bosonic Hamiltonians with three-body hardcore constraint. For this purpose we combine bichromatic spin-independent superlattices and Raman transitions to induce a different hopping rate for each spin orientation. Finally, we illustrate how our setup could be used to experimentally realize the first setup, that is, the transition to a pairs quasicondensed phase of the emerging bosons. We also report on a route toward the realization of a discrete bosonic Pfaffian wave function and list some open problems for reaching this goal.
The correlation between fragility, density, and atomic interaction in glass-forming liquids.
Wang, Lijin; Guan, Pengfei; Wang, W H
2016-07-21
The fragility that controls the temperature-dependent viscous properties of liquids as the glass transition is approached, in various glass-forming liquids with different softness of the repulsive part of atomic interactions at different densities, is investigated by molecular dynamic simulations. We show that the landscape of fragility in purely repulsive systems can be separated into three regions denoted as RI, RII, and RIII, respectively, with qualitatively disparate dynamic behaviors: RI which can be described by "softness makes strong glasses," RII where fragility is independent of softness and can only be tuned by density, and RIII with constant fragility, suggesting that density plays an unexpected role for understanding the repulsive softness dependence of fragility. What is more important is that we unify the long-standing inconsistence with respect to the repulsive softness dependence of fragility by observing that a glass former can be tuned more fragile if nonperturbative attraction is added into it. Moreover, we find that the vastly dissimilar influences of attractive interaction on fragility could be estimated from the structural properties of related zero-temperature glasses.
Unraveling protein-protein interactions in clathrin assemblies via atomic force spectroscopy.
Jin, Albert J; Lafer, Eileen M; Peng, Jennifer Q; Smith, Paul D; Nossal, Ralph
2013-03-01
Atomic force microscopy (AFM), single molecule force spectroscopy (SMFS), and single particle force spectroscopy (SPFS) are used to characterize intermolecular interactions and domain structures of clathrin triskelia and clathrin-coated vesicles (CCVs). The latter are involved in receptor-mediated endocytosis (RME) and other trafficking pathways. Here, we subject individual triskelia, bovine-brain CCVs, and reconstituted clathrin-AP180 coats to AFM-SMFS and AFM-SPFS pulling experiments and apply novel analytics to extract force-extension relations from very large data sets. The spectroscopic fingerprints of these samples differ markedly, providing important new information about the mechanism of CCV uncoating. For individual triskelia, SMFS reveals a series of events associated with heavy chain alpha-helix hairpin unfolding, as well as cooperative unraveling of several hairpin domains. SPFS of clathrin assemblies exposes weaker clathrin-clathrin interactions that are indicative of inter-leg association essential for RME and intracellular trafficking. Clathrin-AP180 coats are energetically easier to unravel than the coats of CCVs, with a non-trivial dependence on force-loading rate. Published by Elsevier Inc.
Hsueh, Carlin
Nanotechnology has a unique and relatively untapped utility in the fields of medicine and dentistry at the level of single-biopolymer and -molecule diagnostics. In recent years atomic force microscopy (AFM) has garnered much interest due to its ability to obtain atomic-resolution of molecular structures and probe biophysical behaviors of biopolymers and proteins in a variety of biologically significant environments. The work presented in this thesis focuses on the nanoscale manipulation and observation of biopolymers to develop an innovative technology for personalized medicine while understanding complex biological systems. These studies described here primarily use AFM to observe biopolymer interactions with proteins and its surroundings with unprecedented resolution, providing a better understanding of these systems and interactions at the nanoscale. Transcriptional profiling, the measure of messenger RNA (mRNA) abundance in a single cell, is a powerful technique that detects "behavior" or "symptoms" at the tissue and cellular level. We have sought to develop an alternative approach, using our expertise in AFM and single molecule nanotechnology, to achieve a cost-effective high throughput method for sensitive detection and profiling of subtle changes in transcript abundance. The technique does not require amplification of the mRNA sample because the AFM provides three-dimensional views of molecules with unprecedented resolution, requires minimal sample preparation, and utilizes a simple tagging chemistry on cDNA molecules. AFM images showed collagen polymers in teeth and of Drebrin-A remodeling of filamentous actin structure and mechanics. AFM was used to image collagen on exposed dentine tubules and confirmed tubule occlusion with a desensitizing prophylaxis paste by Colgate-Palmolive. The AFM also superseded other microscopy tools in resolving F-actin helix remodeling and possible cooperative binding by a neuronal actin binding protein---Drebrin-A, an
Faghihi, M. J.; Tavassoly, M. K.; Hatami, M.
In this paper, a model by which we study the interaction between a motional three-level atom and two-mode field injected simultaneously in a bichromatic cavity is considered; the three-level atom is assumed to be in a Λ-type configuration. As a result, the atom-field and the field-field interaction (parametric down conversion) will be appeared. It is shown that, by applying a canonical transformation, the introduced model can be reduced to a well-known form of the generalized Jaynes-Cummings model. Under particular initial conditions, which may be prepared for the atom and the field, the time evolution of state vector of the entire system is analytically evaluated. Then, the dynamics of atom by considering ‘atomic population inversion’ and two different measures of entanglement, i.e., ‘von Neumann entropy’ and ‘idempotency defect’ is discussed, in detail. It is deduced from the numerical results that, the duration and the maximum amount of the considered physical quantities can be suitably tuned by selecting the proper field-mode structure parameter p and the detuning parameters.
International Nuclear Information System (INIS)
de Hosson, J.T.M.
1976-01-01
The positions of the metal atoms around a 1 / 2 (111) (110) edge dislocation in Mo and W are calculated using the Wilson-Johnson potentials. The boundary conditions are given by anisotropic elasticity theory. After the lattices have been relaxed the potential energy of a He atom was calculated for a grid of positions within a block around the dislocation core, which extends over six planes in the (112) direction. The He-metal potential, also developed by Johnson and Wilson was used to calculate the position with maximum energy gain for a He atom. The binding energies of the He atom in the dislocated lattice for Mo and W were 1.55 eV and 1.53 eV, respectively. The second part of the investigation concerns the Peierls stresses for a 1 / 2 (111) (110) edge dislocation in α-Fe, with and without a carbon atom. The Peierls energy and stress are calculated for this slip-system based on the method originally used by Nabarro. The Peierls stresses (at zero absolute temperature) for the lattice with and without a carbon atom, are 0.006 μ and 0.009 μ, respectively. These calculations were carried out utilizing the Wilson-Johnson potential for the Fe-Fe interaction and the Johnson potential was used for the Fe-C interaction
Influence of the virtual photon field on the squeezing properties of an atom laser
International Nuclear Information System (INIS)
Jian-Gang, Zhao; Chang-Yong, Sun; Ling-Hua, Wen; Bao-Long, Liang
2009-01-01
This paper investigates the squeezing properties of an atom laser without rotating-wave approximation in the system of a binomial states field interacting with a two-level atomic Bose–Einstein condensate. It discusses the influences of atomic eigenfrequency, the interaction intensity between the optical field and atoms, parameter of the binomial states field and virtual photon field on the squeezing properties. The results show that two quadrature components of an atom laser can be squeezed periodically. The duration and the degree of squeezing an atom laser have something to do with the atomic eigenfrequency and the parameter of the binomial states field, respectively. The collapse and revival frequency of atom laser fluctuation depends on the interaction intensity between the optical field and atoms. The effect of the virtual photon field deepens the depth of squeezing an atom laser
Energy Technology Data Exchange (ETDEWEB)
Friedlein, R.; Yamada-Takamura, Y. [Japan Advanced Institute of Science and Technology, School of Materials Science, Nomi, Ishikawa 923-1292 (Japan); Van Bui, H.; Wiggers, F. B.; Kovalgin, A. Y.; Jong, M. P. de, E-mail: M.P.deJong@utwente.nl [MESA Institute for Nanotechnology, University of Twente, 7500 AE Enschede (Netherlands)
2014-05-28
As silicene is not chemically inert, the study and exploitation of its electronic properties outside of ultrahigh vacuum environments require the use of insulating capping layers. In order to understand if aluminum oxide might be a suitable encapsulation material, we used high-resolution synchrotron photoelectron spectroscopy to study the interactions of Al atoms and O{sub 2} molecules, as well as the combination of both, with epitaxial silicene on thin ZrB{sub 2}(0001) films grown on Si(111). The deposition of Al atoms onto silicene, up to the coverage of about 0.4 Al per Si atoms, has little effect on the chemical state of the Si atoms. The silicene-terminated surface is also hardly affected by exposure to O{sub 2} gas, up to a dose of 4500 L. In contrast, when Al-covered silicene is exposed to the same dose, a large fraction of the Si atoms becomes oxidized. This is attributed to dissociative chemisorption of O{sub 2} molecules by Al atoms at the surface, producing reactive atomic oxygen species that cause the oxidation. It is concluded that aluminum oxide overlayers prepared in this fashion are not suitable for encapsulation since they do not prevent but actually enhance the degradation of silicene.
Simulation of multi-atomic interactions in H-O-W system with the MD code CADAC
International Nuclear Information System (INIS)
Landman, I.S.
2005-01-01
For future tokamak reactors, chemical erosion of tungsten armour surfaces under impact of hot deuterium-tritium plasma that contains impurities, for instance oxygen, is an important issue. Oxygen can form volatile molecular complexes O x W y at the surface, and the retained H-atoms form the volatile complexes H x O y , which mitigates the erosion (H states for hydrogen isotopes). The plasma impact can substantially destroy the complexes. To describe this H-O-W system, the molecular dynamics (MD) code CADAC was earlier developed using only pair-atomic interactions. Now CADAC is extended for multi-body forces to simulate molecular organization of atoms near the tungsten surface. The approach uses the Abell's model of empirical bond-order potentials in addition combined, for the first time, with a valence concept. CADAC simulates chemical features using atomic valences and the Morse potentials. The new model is introduced and model parameters are estimated
International Nuclear Information System (INIS)
Haxton, W.C.; Hoering, A.; Musolf, M.J.; Old Dominion Univ., Norfolk, VA
1994-01-01
We deduce constraints on time-reversal-noninvariant (TRNI), parity-conserving (PC) hadronic interactions from nucleon, nuclear, and atomic electric dipole moment (edm) limits. Such interactions generate edm's through weak radiative corrections. We consider long-ranged mechanisms, i.e., those mediated by meson exchanges in contrast to short-range two-loop mechanisms. We find that the ratio of typical TRNI. PC nuclear matrix elements to those of the strong interaction are approx-lt 10 -5 , a limit about two orders of magnitude more stringent than those from direct detailed balance studies of such interactions
Dynamics of bad-cavity-enhanced interaction with cold Sr atoms for laser stabilization
DEFF Research Database (Denmark)
Schäffer, S. A.; Christensen, B. T.R.; Henriksen, M. R.
2017-01-01
Hybrid systems of cold atoms and optical cavities are promising systems for increasing the stability of laser oscillators used in quantum metrology and atomic clocks. In this paper we map out the atom-cavity dynamics in such a system and demonstrate limitations as well as robustness of the approach....... We investigate the phase response of an ensemble of cold Sr88 atoms inside an optical cavity for use as an error signal in laser frequency stabilization. With this system we realize a regime where the high atomic phase shift limits the dynamical locking range. The limitation is caused by the cavity...
Enhancing optical nonreciprocity by an atomic ensemble in two coupled cavities
Song, L. N.; Wang, Z. H.; Li, Yong
2018-05-01
We study the optical nonreciprocal propagation in an optical molecule of two coupled cavities with one of them interacting with a two-level atomic ensemble. The effect of increasing the number of atoms on the optical isolation ratio of the system is studied. We demonstrate that the significant nonlinearity supplied by the coupling of the atomic ensemble with the cavity leads to the realization of greatly-enhanced optical nonreciprocity compared with the case of single atom.
Hosseini, Mahdi
Our ability to engineer quantum states of light and matter has significantly advanced over the past two decades, resulting in the production of both Gaussian and non-Gaussian optical states. The resulting tailored quantum states enable quantum technologies such as quantum optical communication, quantum sensing as well as quantum photonic computation. The strong nonlinear light-atom interaction is the key to deterministic quantum state preparation and quantum photonic processing. One route to enhancing the usually weak nonlinear light-atom interactions is to approach the regime of cavity quantum electrodynamics (cQED) interaction by means of high finesse optical resonators. I present results from the MIT experiment of large conditional cross-phase modulation between a signal photon, stored inside an atomic quantum memory, and a control photon that traverses a high-finesse optical cavity containing the atomic memory. I also present a scheme to probabilistically change the amplitude and phase of a signal photon qubit to, in principle, arbitrary values by postselection on a control photon that has interacted with that state. Notably, small changes of the control photon polarization measurement basis by few degrees can substantially change the amplitude and phase of the signal state. Finally, I present our ongoing effort at Purdue to realize similar peculiar quantum phenomena at the single photon level on chip scale photonic systems.
Use of a PhET Interactive Simulation in General Chemistry Laboratory: Models of the Hydrogen Atom
Clark, Ted M.; Chamberlain, Julia M.
2014-01-01
An activity supporting the PhET interactive simulation, Models of the Hydrogen Atom, has been designed and used in the laboratory portion of a general chemistry course. This article describes the framework used to successfully accomplish implementation on a large scale. The activity guides students through a comparison and analysis of the six…
International Nuclear Information System (INIS)
2006-01-01
International Conference on the Interaction of atoms, molecules and plasmas with intense ultrashort laser pulses was held in Hungary in 2006. This conference which joined the ULTRA COST activity ('Laser-matter interactions with ultra-short pulses, high-frequency pulses and ultra-intense pulses. From attophysics to petawatt physics') and the XTRA ('Ultrashort XUV Pulses for Time-Resolved and Non-Linear Applications') Marie-Curie Research Training Network, intends to offer a possibility to the members of both of these activities to exchange ideas on recent theoretical and experimental results on the interaction of ultrashort laser pulses with matter giving a broad view from theoretical models to practical and technical applications. Ultrashort laser pulses reaching extra high intensities open new windows to obtain information about molecular and atomic processes. These pulses are even able to penetrate into atomic scalelengths not only by generating particles of ultrahigh energy but also inside the spatial and temporal atomic scalelengths. New regimes of laser-matter interaction were opened in the last decade with an increasing number of laboratories and researchers in these fields. (S.I.)
Shim, J; Stewart, D S; Nikolov, A D; Wasan, D T; Wang, R; Yan, R; Shieh, Y C
2017-12-15
Enteric viruses are recognized as major etiologies of U.S. foodborne infections. These viruses are easily transmitted via food contact surfaces. Understanding virus interactions with surfaces may facilitate the development of improved means for their removal, thus reducing transmission. Using MS2 coliphage as a virus surrogate, the strength of virus adhesion to common food processing and preparation surfaces of polyvinyl chloride (PVC) and glass was assessed by atomic force microscopy (AFM) and virus recovery assays. The interaction forces of MS2 with various surfaces were measured from adhesion peaks in force-distance curves registered using a spherical bead probe preconjugated with MS2 particles. MS2 in phosphate-buffered saline (PBS) demonstrated approximately 5 times less adhesion force to glass (0.54 nN) than to PVC (2.87 nN) ( P force for PVC (∼0 nN) and consistently increased virus recovery by 19%. With direct and indirect evidence of virus adhesion, this study illustrated a two-way assessment of virus adhesion for the initial evaluation of potential means to mitigate virus adhesion to food contact surfaces. IMPORTANCE The spread of foodborne viruses is likely associated with their adhesive nature. Virus attachment on food contact surfaces has been evaluated by quantitating virus recoveries from inoculated surfaces. This study aimed to evaluate the microenvironment in which nanometer-sized viruses interact with food contact surfaces and to compare the virus adhesion differences using AFM. The virus surrogate MS2 demonstrated less adhesion force to glass than to PVC via AFM, with the force-contributing factors including the intrinsic nature and the topography of the contact surfaces. This adhesion finding is consistent with the virus recoveries, which were determined indirectly. Greater numbers of viruses were recovered from glass than from PVC, after application at the same levels. The stronger MS2 adhesion onto PVC could be interrupted by incorporating a
Exchange and Dzyaloshinskii-Moriya interactions in bulk FeGe: Effects of atomic vacancies
Loh, G. C.; Gan, C. K.
2017-05-01
We examine the effects of atomic vacancies on the (1) spin interaction, and (2) electronic character in the cubic B20 chiral magnet FeGe. For the former, Heisenberg exchange and Dzyaloshinskii-Moriya (DM) interactions are studied. The latter is done via a particular Wannier flavor of the Hamiltonian in the form of maximally-localized Wannier functions (MLWFs). Using first-principles calculations based on full-potential linearized augmented plane-wave (FLAPW)-based density functional theory (DFT), the spin order of bulk FeGe, in its pristine form, and with a Fe (Fe75%Ge100%) or Ge vacancy (Fe100%Ge75%) is investigated. Despite the presence of vacancies, the ground state of FeGe remains helimagnetic, i.e. spin spirals in FeGe are fairly robust. The energetic stability of FeGe increases in the presence of the vacancies. The spiral size is increased by approximately 40%, suggesting that vacancies can be introduced to manipulate the chiral order. The vacancies lift the band degeneracy in the valence manifold of the Wannier-interpolated band structures. Only the spin-down Fermi surfaces are substantially different between the pristine and defective FeGe; it is electron-like in the pristine case, but largely hole-like in the defective ones. The Ge vacancy splits the Fermi surface more than the Fe vacancy. The Heisenberg exchange between nearest Fe pairs is ferromagnetic in pristine FeGe. This Fe-Fe interaction remains ferromagnetic, albeit a slight decrease in strength, in the presence of a Fe vacancy. In contrast, a Ge vacancy in FeGe induces anti-ferromagnetism between nearest Fe pairs. By including spin-orbit coupling effects, we find that the DM interaction of defective FeGe is reversed in sign, and it is more uniform in strength along the three highly symmetric directions, relative to that in pristine FeGe. All in all, the versatility of FeGe makes it an excellent functional material, especially in data storage and spintronics applications.
International Nuclear Information System (INIS)
Emami, Z.
2005-01-01
Because of the technical complexities, involved in the controlled thermonuclear, reactions, a simple vicegerent agent cold plasma, stimulated by positronium atoms (achieved through a ring storage) as stimulus, introduced by this author in ITC 12 conference. In the present paper, the interaction between γ rays emitted through positronium atoms annihilation (in the forms of doublet and triplet electromagnetic photonic radiation) with plasma particles (including electrons, ions and neutral particles) investigated. Proper lifetime of singlet γ rays τs are about 100 ns and from that of triplet γ rays, i.e τt about 100 fems, reside in the following transition times in Ne and Argon elements in He-Ne and Ar lasers respectively: Ne*(3S2) [transition time τ = 105 ns] -> Ne*(2P4); Ar+*(3P4 4S) [transition time τ = 105 fems] -> Ar+(3P5). Then the interactions of γ rays with mater in plasma could follow up as treated from that of the laser and mater in one extreme while the comparison of this situation with normal plasmas in other extreme could serve as diagnostics key role in magnetically confined plasmas reactors. Collisions between charge and neutral species in plasma with electromagnetic radiation (γ photonic radiation) including the energy loss and scattering lead to different consequences. Light electrons can take up appreciably amounts of energy from the incident rays, lead to heating cold plasma, whereas massive ions absorb very little energy. Thus loss of incident energy in radiation occurs almost entirely in collisions with electrons , which, referred to the γ rays energy this would led to plasma heating about thermonuclear reaction ( Eγ = hν = 0.5 MeV). The heavy ions and neutral species in interaction with electromagnetic γ radiation, result on the other hand in scattering, in turn may increase the ionization level of the cold plasma, toward fully ionized plasma. Although all the essential features of these different interaction cross sections deduced
Measurement of the parity nonconserving neutral weak interaction in atomic thallium
International Nuclear Information System (INIS)
Bucksbaum, P.H.
1980-11-01
This thesis describes an experiment to measure parity nonconservation in atomic thallium. A frequency doubled, flashlamp pumped tunable dye laser is used to excite the 6P/sub 1/2/(F = 0) → 7P/sub 1/2/(F = 1) transition at 292.7 nm, with circularly polarized light. An electrostatic field E of 100 to 300 V/cm causes this transition to occur via Stark induced electric dipole. Two field free transitions may also occur: a highly forbidden magnetic dipole M, and a parity nonconserving electric dipole epsilon/sub P/. The latter is presumed to be due to the presence of a weak neutral current interaction between the 6p valence electron and the nucleus, as predicted by gauge theories which unite the electromagnetic and weak interactions. Both M and epsilon/sub P/ interfere with the Stark amplitude βE to produce a polarization of the 7P/sub 1/2/ state. This is measured with a circularly polarized infrared laser beam probe, tuned to the 7P/sub 1/2/ → 8S/sub 1/2/ transition. This selectively excites m/sub F/ = +1 or -1 components of the 7P/sub 1/2/ state, and the polarization is seen as an asymmetry in 8S → 6P/sub 3/2/ fluorescence when the probe helicity is reversed. The polarization due to M is Δ/sub M/ = -2M/(BETAE). It is used to calibrate the analyzing efficiency. The polarization due to epsilon/sub P/ is Δ/sub P/ = 2i epsilon/sub P//(βE), and can be distinguished from Δ/sub M/ by its properties under reversal of the 292.7 nm photon helicity and reversal of the laser direction. A preliminary measurement yielded a parity violation in agreement with the gauge theory of Weinberg and Salam
Modes of Escherichia coli Dps Interaction with DNA as Revealed by Atomic Force Microscopy.
Directory of Open Access Journals (Sweden)
Vladislav V Melekhov
Full Text Available Multifunctional protein Dps plays an important role in iron assimilation and a crucial role in bacterial genome packaging. Its monomers form dodecameric spherical particles accumulating ~400 molecules of oxidized iron ions within the protein cavity and applying a flexible N-terminal ends of each subunit for interaction with DNA. Deposition of iron is a well-studied process by which cells remove toxic Fe2+ ions from the genetic material and store them in an easily accessible form. However, the mode of interaction with linear DNA remained mysterious and binary complexes with Dps have not been characterized so far. It is widely believed that Dps binds DNA without any sequence or structural preferences but several lines of evidence have demonstrated its ability to differentiate gene expression, which assumes certain specificity. Here we show that Dps has a different affinity for the two DNA fragments taken from the dps gene regulatory region. We found by atomic force microscopy that Dps predominantly occupies thermodynamically unstable ends of linear double-stranded DNA fragments and has high affinity to the central part of the branched DNA molecule self-assembled from three single-stranded oligonucleotides. It was proposed that Dps prefers binding to those regions in DNA that provide more contact pads for the triad of its DNA-binding bundle associated with one vertex of the protein globule. To our knowledge, this is the first study revealed the nucleoid protein with an affinity to branched DNA typical for genomic regions with direct and inverted repeats. As a ubiquitous feature of bacterial and eukaryotic genomes, such structural elements should be of particular care, but the protein system evolutionarily adapted for this function is not yet known, and we suggest Dps as a putative component of this system.
Holguín-Gallego, Fernando José; Chávez-Calvillo, Rodrigo; García-Revilla, Marco; Francisco, Evelio; Pendás, Ángel Martín; Rocha-Rinza, Tomás
2016-07-15
The electronic energy partition established by the Interacting Quantum Atoms (IQA) approach is an important method of wavefunction analyses which has yielded valuable insights about different phenomena in physical chemistry. Most of the IQA applications have relied upon approximations, which do not include either dynamical correlation (DC) such as Hartree-Fock (HF) or external DC like CASSCF theory. Recently, DC was included in the IQA method by means of HF/Coupled-Cluster (CC) transition densities (Chávez-Calvillo et al., Comput. Theory Chem. 2015, 1053, 90). Despite the potential utility of this approach, it has a few drawbacks, for example, it is not consistent with the calculation of CC properties different from the total electronic energy. To improve this situation, we have implemented the IQA energy partition based on CC Lagrangian one- and two-electron orbital density matrices. The development presented in this article is tested and illustrated with the H2 , LiH, H2 O, H2 S, N2 , and CO molecules for which the IQA results obtained under the consideration of (i) the CC Lagrangian, (ii) HF/CC transition densities, and (iii) HF are critically analyzed and compared. Additionally, the effect of the DC in the different components of the electronic energy in the formation of the T-shaped (H2 )2 van der Waals cluster and the bimolecular nucleophilic substitution between F(-) and CH3 F is examined. We anticipate that the approach put forward in this article will provide new understandings on subjects in physical chemistry wherein DC plays a crucial role like molecular interactions along with chemical bonding and reactivity. © 2016 Wiley Periodicals, Inc. © 2016 Wiley Periodicals, Inc.
Adsorption of Cu, Ag, and Au atoms on graphene including van der Waals interactions
International Nuclear Information System (INIS)
Amft, Martin; Eriksson, Olle; Skorodumova, Natalia V; Lebegue, Sebastien
2011-01-01
We performed a systematic density functional (DF) study of the adsorption of copper, silver, and gold adatoms on pristine graphene, especially accounting for van der Waals (vdW) interactions by the vdW-DF and PBE + D2 methods. In particular, we analyze the preferred adsorption site (among top, bridge, and hollow positions) together with the corresponding distortion of the graphene sheet and identify diffusion paths. Both vdW schemes show that the coinage metal atoms do bind to the graphene sheet and that in some cases the buckling of the graphene layer can be significant. Only the results for silver are qualitatively at variance with those obtained with the generalized gradient approximation, which gives no binding in this case. However in all three cases, we observe some quantitative differences between the vdW-DF and PBE + D2 methods. For instance the adsorption energies calculated with the PBE + D2 method are systematically higher than the ones obtained with vdW-DF. Moreover, the equilibrium distances computed with PBE + D2 are shorter than those calculated with the vdW-DF method. (paper)
Jian, Jhih-Wei; Elumalai, Pavadai; Pitti, Thejkiran; Wu, Chih Yuan; Tsai, Keng-Chang; Chang, Jeng-Yih; Peng, Hung-Pin; Yang, An-Suei
2016-01-01
Predicting ligand binding sites (LBSs) on protein structures, which are obtained either from experimental or computational methods, is a useful first step in functional annotation or structure-based drug design for the protein structures. In this work, the structure-based machine learning algorithm ISMBLab-LIG was developed to predict LBSs on protein surfaces with input attributes derived from the three-dimensional probability density maps of interacting atoms, which were reconstructed on the query protein surfaces and were relatively insensitive to local conformational variations of the tentative ligand binding sites. The prediction accuracy of the ISMBLab-LIG predictors is comparable to that of the best LBS predictors benchmarked on several well-established testing datasets. More importantly, the ISMBLab-LIG algorithm has substantial tolerance to the prediction uncertainties of computationally derived protein structure models. As such, the method is particularly useful for predicting LBSs not only on experimental protein structures without known LBS templates in the database but also on computationally predicted model protein structures with structural uncertainties in the tentative ligand binding sites. PMID:27513851
Magnetic properties of point defect interaction with impurity atoms in Fe-Cr alloys
Nguyen-Manh, D.; Lavrentiev, M. Yu.; Dudarev, S. L.
2009-04-01
An integrated ab initio and statistical Monte Carlo investigation has been recently carried out to model the thermodynamic and kinetic properties of Fe-Cr alloys. We found that the conventional Fe-Cr phase diagram is not adequate at low temperature region where the magnetic contribution to the free energy plays an important role in the prediction of an ordered Fe 15Cr phase and its negative enthalpy of formation. The origin of the anomalous thermodynamic and magnetic properties of Fe-Cr alloys can be understood using a tight-binding Stoner model combined with the charge neutrality condition. We investigate the environmental dependence of magnetic moment distributions for various self-interstitial atom dumbbells configurations using spin density maps found using density functional theory calculations. The mixed dumbbell Fe-Cr and Fe-Mn binding energies are found to be positive due to magnetic interactions. Finally, we discuss the relationship between the migration energy of vacancy in Fe-Cr alloys and magnetism at the saddle point configuration.
Moscetti, Ilaria; Teveroni, Emanuela; Moretti, Fabiola; Bizzarri, Anna Rita; Cannistraro, Salvatore
Murine double minute 2 (MDM2) and 4 (MDM4) are known as the main negative regulators of p53, a tumor suppressor. They are able to form heterodimers that are much more effective in the downregulation of p53. Therefore, the MDM2-MDM4 complex could be a target for promising therapeutic restoration of p53 function. To this aim, a deeper understanding of the molecular mechanisms underlining the heterodimerization is needed. The kinetic and thermodynamic characterization of the MDM2-MDM4 complex was performed with two complementary approaches: atomic force spectroscopy and surface plasmon resonance. Both techniques revealed an equilibrium dissociation constant (KD ) in the micromolar range for the MDM2-MDM4 heterodimer, similar to related complexes involved in the p53 network. Furthermore, the MDM2-MDM4 complex is characterized by a relatively high free energy, through a single energy barrier, and by a lifetime in the order of tens of seconds. New insights into the MDM2-MDM4 interaction could be highly important for developing innovative anticancer drugs focused on p53 reactivation.
Evolution in time of an N-atom system. II. Calculation of the eigenstates
International Nuclear Information System (INIS)
Rudolph, Terry; Yavin, Itay; Freedhoff, Helen
2004-01-01
We calculate the energy eigenvalues and eigenstates corresponding to coherent single and multiple excitations of a number of different arrays of N identical two-level atoms (TLA's) or qubits, including polygons, 'diamond' structures, polygon multilayers, icosahedra, and dodecahedra. We assume only that the coupling occurs via an exchange interaction which depends on the separation between the atoms. We include the interactions between all pairs of atoms, and our results are valid for arbitrary separations relative to the radiation wavelength
Faghihi, M. J.; Tavassoly, M. K.; Bagheri Harouni, M.
2014-04-01
In this paper, we study the interaction between a Λ-type three-level atom and two quantized electromagnetic fields which are simultaneously injected in a bichromatic cavity surrounded by a Kerr medium in the presence of field-field interaction (parametric down conversion) and detuning parameters. By applying a canonical transformation, the introduced model is reduced to a well-known form of the generalized Jaynes-Cummings model. Under particular initial conditions which may be prepared for the atom and the field, the time evolution of the state vector of the entire system is analytically evaluated. Then, the dynamics of the atom is studied through the evolution of the atomic population inversion. In addition, two different measures of entanglement between the tripartite system (three entities make the system: two field modes and one atom), i.e., von Neumann and linear entropy are investigated. Also, two kinds of entropic uncertainty relations, from which entropy squeezing can be obtained, are discussed. In each case, the influences of the detuning parameters and Kerr medium on the above nonclassicality features are analyzed in detail via numerical results. It is illustrated that the amount of the above-mentioned physical phenomena can be tuned by choosing the evolved parameters, appropriately.
International Nuclear Information System (INIS)
Faghihi, M J; Tavassoly, M K; Bagheri Harouni, M
2014-01-01
In this paper, we study the interaction between a Λ-type three-level atom and two quantized electromagnetic fields which are simultaneously injected in a bichromatic cavity surrounded by a Kerr medium in the presence of field–field interaction (parametric down conversion) and detuning parameters. By applying a canonical transformation, the introduced model is reduced to a well-known form of the generalized Jaynes–Cummings model. Under particular initial conditions which may be prepared for the atom and the field, the time evolution of the state vector of the entire system is analytically evaluated. Then, the dynamics of the atom is studied through the evolution of the atomic population inversion. In addition, two different measures of entanglement between the tripartite system (three entities make the system: two field modes and one atom), i.e., von Neumann and linear entropy are investigated. Also, two kinds of entropic uncertainty relations, from which entropy squeezing can be obtained, are discussed. In each case, the influences of the detuning parameters and Kerr medium on the above nonclassicality features are analyzed in detail via numerical results. It is illustrated that the amount of the above-mentioned physical phenomena can be tuned by choosing the evolved parameters, appropriately. (paper)
Moderation analysis using a two-level regression model.
Yuan, Ke-Hai; Cheng, Ying; Maxwell, Scott
2014-10-01
Moderation analysis is widely used in social and behavioral research. The most commonly used model for moderation analysis is moderated multiple regression (MMR) in which the explanatory variables of the regression model include product terms, and the model is typically estimated by least squares (LS). This paper argues for a two-level regression model in which the regression coefficients of a criterion variable on predictors are further regressed on moderator variables. An algorithm for estimating the parameters of the two-level model by normal-distribution-based maximum likelihood (NML) is developed. Formulas for the standard errors (SEs) of the parameter estimates are provided and studied. Results indicate that, when heteroscedasticity exists, NML with the two-level model gives more efficient and more accurate parameter estimates than the LS analysis of the MMR model. When error variances are homoscedastic, NML with the two-level model leads to essentially the same results as LS with the MMR model. Most importantly, the two-level regression model permits estimating the percentage of variance of each regression coefficient that is due to moderator variables. When applied to data from General Social Surveys 1991, NML with the two-level model identified a significant moderation effect of race on the regression of job prestige on years of education while LS with the MMR model did not. An R package is also developed and documented to facilitate the application of the two-level model.
A partitioned correlation function interaction approach for describing electron correlation in atoms
International Nuclear Information System (INIS)
Verdebout, S; Godefroid, M; Rynkun, P; Jönsson, P; Gaigalas, G; Fischer, C Froese
2013-01-01
The traditional multiconfiguration Hartree–Fock (MCHF) and configuration interaction (CI) methods are based on a single orthonormal orbital basis. For atoms with many closed core shells, or complicated shell structures, a large orbital basis is needed to saturate the different electron correlation effects such as valence, core–valence and correlation within the core shells. The large orbital basis leads to massive configuration state function (CSF) expansions that are difficult to handle, even on large computer systems. We show that it is possible to relax the orthonormality restriction on the orbital basis and break down the originally very large calculations into a series of smaller calculations that can be run in parallel. Each calculation determines a partitioned correlation function (PCF) that accounts for a specific correlation effect. The PCFs are built on optimally localized orbital sets and are added to a zero-order multireference (MR) function to form a total wave function. The expansion coefficients of the PCFs are determined from a low dimensional generalized eigenvalue problem. The interaction and overlap matrices are computed using a biorthonormal transformation technique (Verdebout et al 2010 J. Phys. B: At. Mol. Phys. 43 074017). The new method, called partitioned correlation function interaction (PCFI), converges rapidly with respect to the orbital basis and gives total energies that are lower than the ones from ordinary MCHF and CI calculations. The PCFI method is also very flexible when it comes to targeting different electron correlation effects. Focusing our attention on neutral lithium, we show that by dedicating a PCF to the single excitations from the core, spin- and orbital-polarization effects can be captured very efficiently, leading to highly improved convergence patterns for hyperfine parameters compared with MCHF calculations based on a single orthogonal radial orbital basis. By collecting separately optimized PCFs to correct the
A partitioned correlation function interaction approach for describing electron correlation in atoms
Verdebout, S.; Rynkun, P.; Jönsson, P.; Gaigalas, G.; Froese Fischer, C.; Godefroid, M.
2013-04-01
The traditional multiconfiguration Hartree-Fock (MCHF) and configuration interaction (CI) methods are based on a single orthonormal orbital basis. For atoms with many closed core shells, or complicated shell structures, a large orbital basis is needed to saturate the different electron correlation effects such as valence, core-valence and correlation within the core shells. The large orbital basis leads to massive configuration state function (CSF) expansions that are difficult to handle, even on large computer systems. We show that it is possible to relax the orthonormality restriction on the orbital basis and break down the originally very large calculations into a series of smaller calculations that can be run in parallel. Each calculation determines a partitioned correlation function (PCF) that accounts for a specific correlation effect. The PCFs are built on optimally localized orbital sets and are added to a zero-order multireference (MR) function to form a total wave function. The expansion coefficients of the PCFs are determined from a low dimensional generalized eigenvalue problem. The interaction and overlap matrices are computed using a biorthonormal transformation technique (Verdebout et al 2010 J. Phys. B: At. Mol. Phys. 43 074017). The new method, called partitioned correlation function interaction (PCFI), converges rapidly with respect to the orbital basis and gives total energies that are lower than the ones from ordinary MCHF and CI calculations. The PCFI method is also very flexible when it comes to targeting different electron correlation effects. Focusing our attention on neutral lithium, we show that by dedicating a PCF to the single excitations from the core, spin- and orbital-polarization effects can be captured very efficiently, leading to highly improved convergence patterns for hyperfine parameters compared with MCHF calculations based on a single orthogonal radial orbital basis. By collecting separately optimized PCFs to correct the MR
International Nuclear Information System (INIS)
Çakır, D; Gülseren, O
2012-01-01
We have systematically investigated the growth behavior and stability of small stoichiometric (TiO 2 ) n (n = 1-10) clusters as well as their structural, electronic and magnetic properties by using the first-principles plane wave pseudopotential method within density functional theory. In order to find out the ground state geometries, a large number of initial cluster structures for each n has been searched via total energy calculations. Generally, the ground state structures for the case of n = 1-9 clusters have at least one monovalent O atom, which only binds to a single Ti atom. However, the most stable structure of the n = 10 cluster does not have any monovalent O atom. On the other hand, Ti atoms are at least fourfold coordinated for the ground state structures for n ≥ 4 clusters. Our calculations have revealed that clusters prefer to form three-dimensional structures. Furthermore, all these stoichiometric clusters have nonmagnetic ground state. The formation energy and the highest occupied molecular orbital (HOMO)-lowest unoccupied molecular orbital (LUMO) gap for the most stable structure of (TiO 2 ) n clusters for each n have also been calculated. The formation energy and hence the stability increases as the cluster size grows. In addition, the interactions between the ground state structure of the (TiO 2 ) n cluster and a single water molecule have been studied. The binding energy (E b ) of the H 2 O molecule exhibits an oscillatory behavior with the size of the clusters. A single water molecule preferably binds to the cluster Ti atom through its oxygen atom, resulting an average binding energy of 1.1 eV. We have also reported the interaction of the selected clusters (n = 3, 4, 10) with multiple water molecules. We have found that additional water molecules lead to a decrease in the binding energy of these molecules to the (TiO 2 ) n clusters. Finally, the adsorption of transition metal (TM) atoms (V, Co and Pt) on the n = 10 cluster has been
International Nuclear Information System (INIS)
Taylor, M.L.
2011-01-01
Lithium fluoride thermoluminescent dosimeters (TLD) are the most commonly implemented for clinical dosimetry. The small physical magnitude of TLDs makes them attractive for applications such as small field measurement, in vivo dosimetry and measurement of out-of-field doses to critical structures. The most broadly used TLD is TLD-100 (LiF:Mg,Ti) and, for applications requiring higher sensitivity to low-doses, TLD-100H (LiF:Mg,Cu,P) is frequently employed. The radiological properties of these TLDs are therefore of significant interest. For the first time, in this study effective atomic numbers for radiative, collisional and total electron interaction processes are calculated for TLD-100 and TLD-100H dosimeters over the energy range 1 keV-100 MeV. This is undertaken using a robust, energy-dependent method of calculation rather than typical power-law approximations. The influence of dopant concentrations and unwanted impurities is also investigated. The two TLDs exhibit similar effective atomic numbers, ranging from approximately 5.77-6.51. Differences arising from the different dopants are most pronounced in low-energy radiative effects. The TLDs have atomic numbers approximately 1.48-2.06 times that of water. The effective atomic number of TLD-100H is consistently higher than that of TLD-100 over a broad energy range, due to the greater influence of the higher-Z dopants on the electron interaction cross sections. Typical variation in dopant concentration does not significantly influence the effective atomic number. The influence on TLD-100H is comparatively more pronounced than that on TLD-100. Contrariwise, unwanted hydroxide impurities influence TLD-100 more than TLD-100H. The effective atomic number is a key parameter that influences the radiological properties and energy response of TLDs. Although many properties of these TLDs have been studied rigorously, as yet there has been no investigation of their effective atomic numbers for electron interactions. The
Cantrell, John H., Jr.; Cantrell, Sean A.
2008-01-01
A comprehensive analytical model of the interaction of the cantilever tip of the atomic force microscope (AFM) with the sample surface is developed that accounts for the nonlinearity of the tip-surface interaction force. The interaction is modeled as a nonlinear spring coupled at opposite ends to linear springs representing cantilever and sample surface oscillators. The model leads to a pair of coupled nonlinear differential equations that are solved analytically using a standard iteration procedure. Solutions are obtained for the phase and amplitude signals generated by various acoustic-atomic force microscope (A-AFM) techniques including force modulation microscopy, atomic force acoustic microscopy, ultrasonic force microscopy, heterodyne force microscopy, resonant difference-frequency atomic force ultrasonic microscopy (RDF-AFUM), and the commonly used intermittent contact mode (TappingMode) generally available on AFMs. The solutions are used to obtain a quantitative measure of image contrast resulting from variations in the Young modulus of the sample for the amplitude and phase images generated by the A-AFM techniques. Application of the model to RDF-AFUM and intermittent soft contact phase images of LaRC-cp2 polyimide polymer is discussed. The model predicts variations in the Young modulus of the material of 24 percent from the RDF-AFUM image and 18 percent from the intermittent soft contact image. Both predictions are in good agreement with the literature value of 21 percent obtained from independent, macroscopic measurements of sheet polymer material.
DEFF Research Database (Denmark)
Ruban, Andrei; Simak, S.I.; Korzhavyi, P.A.
2002-01-01
-electron potential and energy. In the case of a random alloy such interactions can be accounted for only by lifting the atomic-sphere and single-site approximations, in order to include the polarization due to local environment effects. Nevertheless, a simple parametrization of the screened Coulomb interactions...... for the ordinary single-site methods, including the generalized perturbation method, is still possible. We obtained such a parametrization for bulk and surface NiPt alloys, which allows one to obtain quantitatively accurate effective interactions in this system....
International Nuclear Information System (INIS)
Seke, J.; Adam, G.; Soldatov, A.V.; Bogolubov, N.N.
2002-01-01
Full text: The dynamics of a discretized atom-field interaction model with a physically relevant form factor is analyzed. It is shown that after some short time interval only a small fraction of eigenvalues and eigenstates (belonging to the close vicinity of the excited atomic state energy E=ω 0 /2) contributes to the nondecay probability amplitudes in the long-time regime, whereas the contribution of all other eigenstates and eigenvalues is negligible. Nevertheless, to describe correctly the non-Markovian dynamics in the short-time regime the contribution of all eigenstates and eigenvalues must be taken into account. (author)
Experimental Hamiltonian identification for controlled two-level systems
International Nuclear Information System (INIS)
Schirmer, S.G.; Kolli, A.; Oi, D.K.L.
2004-01-01
We present a strategy to empirically determine the internal and control Hamiltonians for an unknown two-level system (black box) subject to various (piecewise constant) control fields when direct readout by measurement is limited to a single, fixed observable
International Nuclear Information System (INIS)
Howe, L.M.; Swanson, M.L.; Quenneville, A.F.
1978-01-01
The trapping of irradiation-produced defects by solute atoms in Mg crystals was monitored by measuring the displacement of the solute atoms from lattice sites using the backscattering-channeling technique. In Mg-0.2 at.% Ag crystals, irradiation at 30 K with 1 MeVHe + ions resulted in a very large fraction of Ag atoms being displaced from their lattice sites. The Ag atom displacement appeared to be along directions and is attributed to the trapping of migrating Mg interstitial atoms by Ag atoms to form Mg-Ag mixed dumbbells. Recovery of the Ag atom displacements and the irradiation-induced dechanneling increment occurred principally in two stages, 80-160 K (stage III) and 200-280 K (stage IV). Stage III is attributed mainly to some type of interstitial migration and stage IV is attributed to the migration of single vacancies. In contrast to the Mg-Ag results, a very small displaced fraction of Bi atoms occurred in an irradiated Mg-0.08 at.% Bi crystal; hence Mg-Bi mixed dumbbells do not appear to be formed. (author)
Dynamic evolution of double Λ five-level atom interacting with one-mode electromagnetic cavity field
Abdel-Wahab, N. H.; Salah, Ahmed
2017-12-01
In this paper, the model describing a double Λ five-level atom interacting with a single mode electromagnetic cavity field in the (off) non-resonate case is studied. We obtained the constants of motion for the considered model. Also, the state vector of the wave function is given by using the Schrödinger equation when the atom is initially prepared in its excited state. The dynamical evolutions for the collapse revivals, the antibunching of photons and the field squeezing phenomena are investigated when the field is considered in a coherent state. The influence of detuning parameters on these phenomena is investigated. We noticed that the atom-field properties are influenced by changing the detuning parameters. The investigation of these aspects by numerical simulations is carried out using the Quantum Toolbox in Python (QuTip).
Energy Technology Data Exchange (ETDEWEB)
Villette, J
2000-10-15
Grazing collisions (<3 deg.) of keV ions and atoms: H{sup +}, Ne{sup +}, Ne{sup 0}, Na{sup +} on LiF (001) single crystal, an ionic insulator, are investigated by a time of flight technique. The incident beam is chopped and the scattered particles are collected on a position sensitive detector providing differential cross section while the time of flight gives the energy loss. Deflection plates allow the charge state analysis. Secondary electrons are detected in coincidence allowing direct measurements of electron emission yield, angular and energetic distribution through time of flight measurements. The target electronic structure characterized by a large band gap, governs the collisional processes: charge exchange, electronic excitations and electron emission. In particular, these studies show that the population of local target excitations surface excitons is the major contribution to the kinetic energy transfer (stopping power). Auger neutralization of Ne{sup +} and He{sup +} ions reveals the population of quasi-molecular excitons, an exciton bound on two holes. Referenced in the literature as trion. A direct energy balance determines the binding energy associated with these excited states of the surface. Besides these electronic energy loss processes, two nuclear energy loss mechanisms are characterized. These processes imply momentum transfer to individual target atoms during close binary collisions or, if the projectile is charged, to collective mode of optical phonons induced by the projectile coulomb field. The effect of the temperature on the scattering profile, the contribution of topological surface defects to the energy loss profile and to skipping motion on the surface are analyzed in view of classical trajectory simulations. (author)
Interactive Web-based Visualization of Atomic Position-time Series Data
Thapa, S.; Karki, B. B.
2017-12-01
Extracting and interpreting the information contained in large sets of time-varying three dimensional positional data for the constituent atoms of simulated material is a challenging task. We have recently implemented a web-based visualization system to analyze the position-time series data extracted from the local or remote hosts. It involves a pre-processing step for data reduction, which involves skipping uninteresting parts of the data uniformly (at full atomic configuration level) or non-uniformly (at atomic species level or individual atom level). Atomic configuration snapshot is rendered using the ball-stick representation and can be animated by rendering successive configurations. The entire atomic dynamics can be captured as the trajectories by rendering the atomic positions at all time steps together as points. The trajectories can be manipulated at both species and atomic levels so that we can focus on one or more trajectories of interest, and can be also superimposed with the instantaneous atomic structure. The implementation was done using WebGL and Three.js for graphical rendering, HTML5 and Javascript for GUI, and Elasticsearch and JSON for data storage and retrieval within the Grails Framework. We have applied our visualization system to the simulation datatsets for proton-bearing forsterite (Mg2SiO4) - an abundant mineral of Earths upper mantle. Visualization reveals that protons (hydrogen ions) incorporated as interstitials are much more mobile than protons substituting the host Mg and Si cation sites. The proton diffusion appears to be anisotropic with high mobility along the x-direction, showing limited discrete jumps in other two directions.
Dispersion interactions between neighboring Bi atoms in (BiH3 )2 and Te(BiR2 )2.
Haack, Rebekka; Schulz, Stephan; Jansen, Georg
2018-03-13
Triggered by the observation of a short Bi⋯Bi distance and a BiTeBi bond angle of only 86.6° in the crystal structure of bis(diethylbismuthanyl)tellurane quantum chemical computations on interactions between neighboring Bi atoms in Te(BiR 2 ) 2 molecules (R = H, Me, Et) and in (BiH 3 ) 2 were undertaken. Bi⋯Bi distances atoms were found to significantly shorten upon inclusion of the d shells of the heavy metal atoms into the electron correlation treatment, and it was confirmed that interaction energies from spin component-scaled second-order Møller-Plesset theory (SCS-MP2) agree well with coupled-cluster singles and doubles theory including perturbative triples (CCSD(T)). Density functional theory-based symmetry-adapted perturbation theory (DFT-SAPT) was used to study the anisotropy of the interplay of dispersion attraction and steric repulsion between the Bi atoms. Finally, geometries and relative stabilities of syn-syn and syn-anti conformers of Te(BiR 2 ) 2 (R = H, Me, Et) and interconversion barriers between them were computed. © 2018 Wiley Periodicals, Inc. © 2018 Wiley Periodicals, Inc.
International Nuclear Information System (INIS)
Shi, Shuai; Guo, Dan; Luo, Jianbin
2017-01-01
Active quality factor ( Q ) exhibits many promising properties in dynamic atomic force microscopy. Energy dissipation and image contrasts are investigated in the non-contact amplitude modulation atomic force microscopy (AM-AFM) with an active Q -control circuit in the ambient air environment. Dissipated power and virial were calculated to compare the highly nonlinear interaction of tip-sample and image contrasts with different Q gain values. Greater free amplitudes and lower effective Q values show better contrasts for the same setpoint ratio. Active quality factor also can be employed to change tip-sample interaction force in non-contact regime. It is meaningful that non-destructive and better contrast images can be realized in non-contact AM-AFM by applying an active Q -control to the dynamic system. (paper)
D'Incao, Jose P.; Willians, Jason R.
2015-05-01
Precision atom interferometers (AI) in space are a key element for several applications of interest to NASA. Our proposal for participating in the Cold Atom Laboratory (CAL) onboard the International Space Station is dedicated to mitigating the leading-order systematics expected to corrupt future high-precision AI-based measurements of fundamental physics in microgravity. One important focus of our proposal is to enhance initial state preparation for dual-species AIs. Our proposed filtering scheme uses Feshbach molecular states to create highly correlated mixtures of heteronuclear atomic gases in both their position and momentum distributions. We will detail our filtering scheme along with the main factors that determine its efficiency. We also show that the atomic and molecular heating and loss rates can be mitigated at the unique temperature and density regimes accessible on CAL. This research is supported by the National Aeronautics and Space Administration.
Atomic and plasma-material interaction data for fusion. V. 14
International Nuclear Information System (INIS)
Clark, R.E.H.
2008-01-01
molecules relevant to fusion plasmas. A great deal of the data have now been made available in electronic form for several modelling codes, and have already had a positive impact in a number of fusion applications. Data have also been added to the database, maintained by the IAEA, for direct and cost-free use by all fusion researchers. The present volume of Atomic and Plasma-Material Interaction Data for Fusion represents the results of the coordinated effort of leading experimental and theoretical groups within the CRP. The contributions of the participants of this CRP, contained in the present volume, significantly enlarge the available databases for processes involving molecules found in fusion plasma edge regions. This information is an important ingredient in many modelling and diagnostic studies of fusion plasmas
Dynamical interaction of He atoms with metal surfaces: Charge transfer processes
International Nuclear Information System (INIS)
Flores, F.; Garcia Vidal, F.J.; Monreal, R.
1993-01-01
A self-consistent Kohn-Sham LCAO method is presented to calculate the charge transfer processes between a He * -atom and metal surfaces. Intra-atomic correlation effects are taken into account by considering independently each single He-orbital and by combining the different charge transfer processes into a set of dynamical rate equations for the different ion charge fractions. Our discussion reproduces qualitatively the experimental evidence and gives strong support to the method presented here. (author). 24 refs, 4 figs
DEFF Research Database (Denmark)
Loft, N. J. S.; Marchukov, O. V.; Petrosyan, D.
2016-01-01
We have developed an efficient computational method to treat long, one-dimensional systems of strongly-interacting atoms forming self-assembled spin chains. Such systems can be used to realize many spin chain model Hamiltonians tunable by the external confining potential. As a concrete...... demonstration, we consider quantum state transfer in a Heisenberg spin chain and we show how to determine the confining potential in order to obtain nearly-perfect state transfer....
International Nuclear Information System (INIS)
Grudzevich, O.D.; Zelenetskij, A.V.; Pashchenko, A.B.
1986-01-01
The last version of the KOP program for calculating cross sections of neutron and charged particle interaction with atomic nuclei within the scope of the optical model is described. The structure and program organization, library of total parameters of the optical potential, program identificators and peculiarities of its operation, input of source data and output of calculational results for printing are described in detail. The KOP program is described in Fortran- and adapted for EC-1033 computer
Topological insulators in cold-atom gases with non-Abelian gauge fields: the role of interactions
Energy Technology Data Exchange (ETDEWEB)
Orth, Peter Philipp [Institut fuer Theorie der Kondensierten Materie, Karlsruher Institut fuer Technologie, 76128 Karlsruhe (Germany); Cocks, Daniel; Buchhold, Michael; Hofstetter, Walter [Institut fuer Theoretische Physik, Goethe Universitaet, 60438 Frankfurt am Main (Germany); Rachel, Stephan [Department of Physics, Yale University, New Haven, Connecticut 06520 (United States); Le Hur, Karyn [Department of Physics, Yale University, New Haven, Connecticut 06520 (United States); Center for Theoretical Physics, Ecole Polytechnique, 91128 Palaiseau Cedex (France)
2012-07-01
With the recent technological advance of creating (non)-Abelian gauge fields for ultracold atoms in optical lattices, it becomes possible to study the interplay of topological phases and interactions in these systems. Specifically, we consider a spinful and time-reversal invariant version of the Hofstadter problem. In addition, we allow for a hopping term which does not preserve S{sub z} spin symmetry and a staggered sublattice potential. Without interactions, the parameters can be tuned such that the system is a topological insulator. Using a combination of analytical techniques and the powerful real-space dynamical mean-field (R-DMFT) method, we discuss the effect of interactions and determine the interacting phase diagram.
Romming, Niklas; Pralow, Henning; Kubetzka, André; Hoffmann, Markus; von Malottki, Stephan; Meyer, Sebastian; Dupé, Bertrand; Wiesendanger, Roland; von Bergmann, Kirsten; Heinze, Stefan
2018-05-01
Using spin-polarized scanning tunneling microscopy and density functional theory we demonstrate the occurrence of a novel type of noncollinear spin structure in Rh /Fe atomic bilayers on Ir(111). We find that higher-order exchange interactions depend sensitively on the stacking sequence. For fcc-Rh /Fe /Ir (111 ) , frustrated exchange interactions are dominant and lead to the formation of a spin spiral ground state with a period of about 1.5 nm. For hcp-Rh /Fe /Ir (111 ) , higher-order exchange interactions favor an up-up-down-down (↑↑↓↓) state. However, the Dzyaloshinskii-Moriya interaction at the Fe /Ir interface leads to a small angle of about 4° between adjacent magnetic moments resulting in a canted ↑↑↓↓ ground state.
International Nuclear Information System (INIS)
Safronova, M. S.; Mitroy, J.; Clark, Charles W.; Kozlov, M. G.
2015-01-01
The atomic dipole polarizability governs the first-order response of an atom to an applied electric field. Atomic polarization phenomena impinge upon a number of areas and processes in physics and have been the subject of considerable interest and heightened importance in recent years. In this paper, we will summarize some of the recent applications of atomic polarizability studies. A summary of results for polarizabilities of noble gases, monovalent, and divalent atoms is given. The development of the CI+all-order method that combines configuration interaction and linearized coupled-cluster approaches is discussed
Energy Technology Data Exchange (ETDEWEB)
Safronova, M. S. [Department of Physics and Astronomy, University of Delaware, Newark, DE 19716 (United States); Mitroy, J. [School of Engineering, Charles Darwin University, Darwin NT 0909 (Australia); Clark, Charles W. [Joint Quantum Institute, National Institute of Standards and Technology and the University of Maryland, Gaithersburg, Maryland 20899-8410 (United States); Kozlov, M. G. [Petersburg Nuclear Physics Institute, Gatchina 188300 (Russian Federation)
2015-01-22
The atomic dipole polarizability governs the first-order response of an atom to an applied electric field. Atomic polarization phenomena impinge upon a number of areas and processes in physics and have been the subject of considerable interest and heightened importance in recent years. In this paper, we will summarize some of the recent applications of atomic polarizability studies. A summary of results for polarizabilities of noble gases, monovalent, and divalent atoms is given. The development of the CI+all-order method that combines configuration interaction and linearized coupled-cluster approaches is discussed.
Two-level convolution formula for nuclear structure function
Ma, Boqiang
1990-05-01
A two-level convolution formula for the nuclear structure function is derived in considering the nucleus as a composite system of baryon-mesons which are also composite systems of quark-gluons again. The results show that the European Muon Colaboration effect can not be explained by the nuclear effects as nucleon Fermi motion and nuclear binding contributions.
Two-level convolution formula for nuclear structure function
International Nuclear Information System (INIS)
Ma Boqiang
1990-01-01
A two-level convolution formula for the nuclear structure function is derived in considering the nucleus as a composite system of baryon-mesons which are also composite systems of quark-gluons again. The results show that the European Muon Colaboration effect can not be explained by the nuclear effects as nucleon Fermi motion and nuclear binding contributions
Stationary states of two-level open quantum systems
International Nuclear Information System (INIS)
Gardas, Bartlomiej; Puchala, Zbigniew
2011-01-01
A problem of finding stationary states of open quantum systems is addressed. We focus our attention on a generic type of open system: a qubit coupled to its environment. We apply the theory of block operator matrices and find stationary states of two-level open quantum systems under certain conditions applied on both the qubit and the surrounding.
Büyükyıldız, M.
2017-09-01
The radiological properties of some vitamins such as Retinol, Beta-carotene, Riboflavin, Niacin, Niacinamide, Pantothenic acid, Pyridoxine, Pyridoxamine, Pyridoxal, Biotin, Folic acid, Ascorbic acid, Cholecalciferol, Alpha-tocopherol, Gamma-tocopherol, Phylloquinone have been investigated with respect to total electron interaction and some heavy charged particle interaction as means of effective atomic numbers (Z_{eff}) and electron densities (N_{eff}) for the first time. Calculations were performed for total electron interaction and heavy ions such as H, He and C ion interactions in the energy region 10keV-10MeV by using a logarithmic interpolation method. Variations in Z_{eff}'s and N_{eff}'s of given vitamins have been studied according to the energy of electron or heavy charged particles, and significant variations have been observed for all types of interaction in the given energy region. The maximum values of Z_{eff} have been found in the different energy regions for different interactions remarkably and variations in N_{eff} seem approximately to be the same with variation in Z_{eff} for the given vitamins as expected. Z_{eff} values of some vitamins were plotted together and compared with each other for electron, H, He and C interactions and the ratios of Z_{eff}/ have been changed in the range of 0.25-0.36, 0.20-0.36, 0.22-0.35 and 0.20-0.35 for electron, H, He and C interactions, respectively.
Line splitting and modified atomic decay of atoms coupled with N quantized cavity modes
Zhu, Yifu
1992-05-01
We study the interaction of a two-level atom with N non-degenerate quantized cavity modes including dissipations from atomic decay and cavity damps. In the strong coupling regime, the absorption or emission spectrum of weakly excited atom-cavity system possesses N + 1 spectral peaks whose linewidths are the weighted averages of atomic and cavity linewidths. The coupled system shows subnatural (supernatural) atomic decay behavior if the photon loss rates from the N cavity modes are smaller (larger) than the atomic decay rate. If N cavity modes are degenerate, they can be treated effectively as a single mode. In addition, we present numerical calculations for N = 2 to characterize the system evolution from the weak coupling to strong coupling limits.
Interaction between radiation-induced defects and lithium impurity atoms in germanium
International Nuclear Information System (INIS)
Vasil'eva, E.D.; Daluda, Yu.N.; Emtsev, V.V.; Kervalishvili, P.D.; Mashovets, T.V.
1981-01-01
The effect of gamma radiation on germanium doped with lithium in the course of extraction from a melt was studied. 60 Co γ-ray irradiation with the 6.2x10 12 cm -2 x1 -1 intensity was performed at 300 K. The temperature dependences of conductivity and Hall effect was studied in the 4.2-300 K range. It was shown that using this alloying technique lithium atoms in germanium were in a ''free'' state. It was found that on irradiation the lithium atom concentration decreases as a result of production of electrically inactive complexes with participation of lithium atoms. Besides this principal process secondary ones are observed: production of radiation donor-defects with the ionization energy Esub(c) of 80 MeV and compensating acceptors
Some aspects of the interaction of photons and electrons with rare gas atoms
International Nuclear Information System (INIS)
Westerveld, W.B.
1979-01-01
Processes for excitation in rare gas atoms are described, due to absorption of photons and bombardment with electrons. The differences and similarities between excitation by absorption of light (spectroscopy) and by electron impact (collision physics) are qualified. Oscillator strengths from the self-absorption of resonance radiation in rare gases are determined. The excitation of 2'P and 3'P states of helium by electrons has been studied by observing excitation cross sections and polarization fractions obtained from XUV radiation. A description is given of a recently completed apparatus to study inelastic electron-atom scattering processes by coincidence techniques. An introduction is given to the theory which relates the parameters describing an excited state of an atom to the angular distribution of the radiation emitted in the decay of the excited state. (Auth.)
Energy Technology Data Exchange (ETDEWEB)
Harpale, Abhilash; Panesi, Marco; Chew, Huck Beng, E-mail: hbchew@illinois.edu [Department of Aerospace Engineering, University of Illinois at Urbana-Champaign, Urbana, Illinois 61801 (United States)
2015-02-14
Using first principle calculations, we study the surface-to-bulk diffusion of C atoms in Ni(111) and Cu(111) substrates, and compare the barrier energies associated with the diffusion of an isolated C atom versus multiple interacting C atoms. We find that the preferential Ni-C bonding over C–C bonding induces a repulsive interaction between C atoms located at diagonal octahedral voids in Ni substrates. This C–C interaction accelerates C atom diffusion in Ni with a reduced barrier energy of ∼1 eV, compared to ∼1.4-1.6 eV for the diffusion of isolated C atoms. The diffusion barrier energy of isolated C atoms in Cu is lower than in Ni. However, bulk diffusion of interacting C atoms in Cu is not possible due to the preferential C–C bonding over C–Cu bonding, which results in C–C dimer pair formation near the surface. The dramatically different C–C interaction effects within the different substrates explain the contrasting growth mechanisms of graphene on Ni(111) and Cu(111) during chemical vapor deposition.
Harpale, Abhilash; Panesi, Marco; Chew, Huck Beng
2015-02-14
Using first principle calculations, we study the surface-to-bulk diffusion of C atoms in Ni(111) and Cu(111) substrates, and compare the barrier energies associated with the diffusion of an isolated C atom versus multiple interacting C atoms. We find that the preferential Ni-C bonding over C-C bonding induces a repulsive interaction between C atoms located at diagonal octahedral voids in Ni substrates. This C-C interaction accelerates C atom diffusion in Ni with a reduced barrier energy of ∼1 eV, compared to ∼1.4-1.6 eV for the diffusion of isolated C atoms. The diffusion barrier energy of isolated C atoms in Cu is lower than in Ni. However, bulk diffusion of interacting C atoms in Cu is not possible due to the preferential C-C bonding over C-Cu bonding, which results in C-C dimer pair formation near the surface. The dramatically different C-C interaction effects within the different substrates explain the contrasting growth mechanisms of graphene on Ni(111) and Cu(111) during chemical vapor deposition.
International Nuclear Information System (INIS)
Makarov, D.N.; Matveev, V.I.
2017-01-01
Inelastic processes and the reemission of attosecond and shorter electromagnetic pulses by atoms have been considered within the analytical solution of the Schrödinger equation in the sudden perturbation approximation. A method of calculations with the exact inclusion of spatial inhomogeneity of the field of an ultrashort pulse and the momenta of photons in the reemission processes has been developed. The probabilities of inelastic processes and spectra of reemission of ultrashort electromagnetic pulses by one- and many-electron atoms have been calculated. The results have been presented in the form of analytical formulas.
Simulation of multi-atomic interactions in H-O-W system with the MD code CADAC
Energy Technology Data Exchange (ETDEWEB)
Landman, I.S. [Forschungszentrum Karlsruhe, Institute for Pulsed Power and Microwave Technology, P.O. Box 3640, 76021 Karlsruhe (Germany)]. E-mail: igor.landman@ihm.fzk.de
2005-11-15
For future tokamak reactors, chemical erosion of tungsten armour surfaces under impact of hot deuterium-tritium plasma that contains impurities, for instance oxygen, is an important issue. Oxygen can form volatile molecular complexes O {sub x}W {sub y} at the surface, and the retained H-atoms form the volatile complexes H {sub x}O {sub y}, which mitigates the erosion (H states for hydrogen isotopes). The plasma impact can substantially destroy the complexes. To describe this H-O-W system, the molecular dynamics (MD) code CADAC was earlier developed using only pair-atomic interactions. Now CADAC is extended for multi-body forces to simulate molecular organization of atoms near the tungsten surface. The approach uses the Abell's model of empirical bond-order potentials in addition combined, for the first time, with a valence concept. CADAC simulates chemical features using atomic valences and the Morse potentials. The new model is introduced and model parameters are estimated.
l- and n-changing collisions during interaction of a pulsed beam of Li Rydberg atoms with CO2
Dubreuil, B.; Harnafi, M.
1989-07-01
The pulsed Li atomic beam produced in our experiment is based on controlled transversely-excited-atmospheric CO2 laser-induced ablation of a Li metal target. The atomic beam is propagated in vacuum or in CO2 gas at low pressure. Atoms in the beam are probed by laser-induced fluorescence spectroscopy. This allows the determination of time-of-flight and velocity distributions. Li Rydberg states (n=5-13) are populated in the beam by two-step pulsed-laser excitation. The excited atoms interact with CO2 molecules. l- and n-changing cross sections are deduced from the time evolution of the resonant or collision-induced fluorescence following this selective excitation. l-changing cross sections of the order of 104 AṦ are measured; they increase with n as opposed to the plateau observed for Li* colliding with a diatomic molecule. This behavior is qualitatively well explained in the framework of the free-electron model. n-->n' changing processes with large cross sections (10-100 AṦ) are also observed even in the case of large electronic energy change (ΔEnn'>103 cm-1). These results can be interpreted in terms of resonant-electronic to vibrational energy transfers between Li Rydberg states and CO2 vibrational modes.
Quantum speed limit time of a two-level atom under different quantum feedback control
Yu, Min; Fang, Mao-Fa; Zou, Hong-Mei
2018-01-01
Not Available Project supported by the National Natural Science Foundation of China (Grant No. 11374096), Hunan Provincial Innovation Foundation for Postgraduate, China (Grant No. CX2017B177), and the Scientific Research Project of Hunan Provincial Education Department, China (Grant No. 16C0949).
Off-resonant transitions in the collective dynamics of multi-level atomic ensembles
DEFF Research Database (Denmark)
Miroshnychenko, Yevhen; Mølmer, Klaus
2013-01-01
We study the contributions of off-resonant transitions to the dynamics of a system of N multi-level atoms sharing one excitation and interacting with the quantized vector electromagnetic field. The rotating wave approximation significantly simplifies the derivation of the equations of motion...... describing the collective atomic dynamics, but it leads to an incorrect expression for the dispersive part of the atom–atom interaction terms. For the case of two-level atoms and a scalar electromagnetic field, it turns out that the atom–atom interaction can be recovered correctly if integrals over...... the photon mode frequencies are extended to incorporate negative values. We explicitly derive the atom–atom interaction for multi-level atoms, coupled to the full vector electromagnetic field, and we recover also in this general case the validity of the results obtained by the extension to negative...
International Nuclear Information System (INIS)
Kucas, S.; Jonauskas, V.; Karazija, R.
1997-01-01
For pt.III see ibid., vol.52, p.639, 1995. Changes of the moments of atomic spectrum due to configuration interaction (CI), the CI strength, the average shift of the energy of a level due to its interaction with all levels of distant configuration and other global characteristics of CI effects in atoms are systematised and their expressions presented. The results of the calculation of those characteristics for the energy level spectra of the 3s3p 3 + 3s 2 3p3d configurations in Si isoelectronic series, 3p 5 3d N + 3p 6 3d N-2 4p + 3p 6 3d N-2 4f (N = 5, 6, 7, 8) in Cr, Mn, Fe and Co isoelectronic series, ns 2 np N + np N+2 at n = 2 - 5 and N = 2 - 4 in neutral atoms as well as for the characteristic emission spectra corresponding to the 3p 5 3d 9 + 3d 7 4p → 3d 8 transitions as well as for the Auger M 4.3 N 1 N 2.3 spectra in Kr and N 4.5 O 1 O 2.3 in Xe are given and compared with the same characteristics of the more complete experimental spectra. (orig.)
Interaction of helium atoms with edge dislocations in α-Fe
International Nuclear Information System (INIS)
Heinisch, H.L.; Gao, F.; Kurtz, R.J.; Le, E.A.
2006-01-01
Formation energies, binding energies, and migration energies of interstitial He atoms in and near the core of an a/2 {1 1 0} edge dislocation in α-Fe are determined in atomistic simulations using conjugate gradient relaxation and the Dimer method for determining saddle point energies. Results are compared as a function of the proximity of the He to the dislocation core and the excess interstitial volume in regions around the dislocation. Interstitial He atoms have negative binding energy on the compression side of the dislocation and strong positive binding energy on the tension side. Even at low temperatures, interstitial He atoms in the vicinity of the dislocation easily migrate to the dislocation core, where they form crowdion interstitials oriented along the close-packed slip direction, with binding energies in excess of 2 eV. Crowdion interstitial He atoms diffuse along the dislocation core, transverse to the crowdion direction, with a migration energy of 0.4-0.5 eV
Dynamic evolution of double five-level atom interacting with one ...
Indian Academy of Sciences (India)
N H Abdel-Wahab
2017-11-23
Nov 23, 2017 ... carried out using the Quantum Toolbox in Python (QuTip). Keywords. Five-level atom .... k = l and zero otherwise), ˆa†(ˆa) is the creation (extinc- tion) operator with the ... It is obvious that the first two terms of the Hamiltonian.
Strongly interacting Fermi systems in 1/N expansion: From cold atoms to color superconductivity
Czech Academy of Sciences Publication Activity Database
Abuki, H.; Brauner, Tomáš
2008-01-01
Roč. 78, č. 12 (2008), 125010/1-125010/13 ISSN 1550-7998 R&D Projects: GA ČR GA202/06/0734 Institutional research plan: CEZ:AV0Z10480505 Keywords : BCS-BEC crossover * Unitary Fermi gas * Quark matter Subject RIV: BG - Nuclear, Atomic and Molecular Physics, Colliders Impact factor: 5.050, year: 2008
Light forces on an indium atomic beam
International Nuclear Information System (INIS)
Kloeter, B.
2007-01-01
In this thesis it was studied, whether indium is a possible candidate for the nanostructuration respectively atomic lithography. For this known method for the generation and stabilization of the light necessary for the laser cooling had to be fitted to the special properties of indium. The spectroscopy of indium with the 451 nm and the 410 nm light yielded first hints that the formulae for the atom-light interaction for a two-level atom cannot be directly transferred to the indium atom. By means of the obtained parameters of the present experiment predictions for a possible Doppler cooling of the indium atomic beam were calculated. Furthermore the possibility for the direct deposition of indium on a substrate was studied
Engineering quantum hyperentangled states in atomic systems
Nawaz, Mehwish; -Islam, Rameez-ul; Abbas, Tasawar; Ikram, Manzoor
2017-11-01
Hyperentangled states have boosted many quantum informatics tasks tremendously due to their high information content per quantum entity. Until now, however, the engineering and manipulation of such states were limited to photonic systems only. In present article, we propose generating atomic hyperentanglement involving atomic internal states as well as atomic external momenta states. Hypersuperposition, hyperentangled cluster, Bell and Greenberger-Horne-Zeilinger states are engineered deterministically through resonant and off-resonant Bragg diffraction of neutral two-level atoms. Based on the characteristic parameters of the atomic Bragg diffraction, such as comparatively large interaction times and spatially well-separated outputs, such decoherence resistant states are expected to exhibit good overall fidelities and offer the evident benefits of full controllability, along with extremely high detection efficiency, over the counterpart photonic states comprised entirely of flying qubits.
International Nuclear Information System (INIS)
Zypman, F R
2006-01-01
We begin by deriving a general useful theoretical relationship between the plane-particle interaction forces in solution, and the corresponding plane-plane interaction energies. This is the main result of the paper. It provides a simple tool to obtain closed-form particle-plane forces from knowledge of plane-plane interaction energies. To illustrate the simplicity of use of this general formalism, we apply it to find particle-plane interactions within the Derjaguin-Landau-Verwey-Overbeek (DLVO) framework. Specifically, we obtain analytical expressions for forces and interaction energies in the van der Waals and the electrical double layer cases. The van der Waals expression is calculated here for benchmarking purposes and is compared with well-established expressions from Hamaker theory. The interactions for the electric double layer situation are computed in two cases: the linear superposition approximation and the constant surface potential. In both cases, our closed-form expressions were compared with existent numerical results. We also use the main result of this paper to generate an analytical force-separation expression based on atomic force microscope experiments for a tip and surface immersed in an aqueous solution, and compare it with the corresponding numerical results. Finally, based on our main result, we generalize the Derjaguin approximation by calculating the next order of approximation, thus obtaining a formula valuable for colloidal interaction estimations
Energy Technology Data Exchange (ETDEWEB)
Tada, Kohei, E-mail: k-tada@aist.go.jp [Department of Chemistry, Graduate School of Science, Osaka University, 1-1, Machikaneyama, Toyonaka, Osaka, 560-0043 (Japan); Research Institute of Electrochemical Energy, National Institute of Advanced Industrial Science and Technology (AIST), 1-8-31, Midorigaoka, Ikeda, Osaka, 563-8577 (Japan); Koga, Hiroaki [Element Strategy Initiative for Catalysts and Batteries (ESICB), Kyoto University, 1-30 Goryo Ohara, Nishikyo, Kyoto, 615-8245 (Japan); Hayashi, Akihide; Kondo, Yudai; Kawakami, Takashi; Yamanaka, Shusuke [Department of Chemistry, Graduate School of Science, Osaka University, 1-1, Machikaneyama, Toyonaka, Osaka, 560-0043 (Japan); Okumura, Mitsutaka [Department of Chemistry, Graduate School of Science, Osaka University, 1-1, Machikaneyama, Toyonaka, Osaka, 560-0043 (Japan); Element Strategy Initiative for Catalysts and Batteries (ESICB), Kyoto University, 1-30 Goryo Ohara, Nishikyo, Kyoto, 615-8245 (Japan)
2017-07-31
Highlights: • We investigated the halogen effect on the interactions of noble metals with TiO{sub 2}. • Halogen atoms inhibit electron transfer from TiO{sub 2} to noble metals. • Iodine stabilizes the adsorption of noble metals especially for Ag and Cu. • Electron transfer from the TiO{sub 2} is effective in anchoring Au and Pt atoms. • Covalent interaction with the support is effective in anchoring Ag and Cu atoms. - Abstract: Using DFT calculation, we investigate the effects of halogens on the interactions between rutile TiO{sub 2} (110) and noble metal atoms (Au, Ag, Cu, Pt, and Pd). Fluorine, chlorine, and bromine atoms occupy the oxygen defect sites of TiO{sub 2}, decreasing the stability of noble metal atoms on the surface. This decrease occurs because the halogens inhibit electron transfer from TiO{sub 2} to the noble metal atoms; the electron transfer from reduced TiO{sub 2} to the noble metal atom stabilizes the noble metal atom adsorption. In contrast, iodine strengthens the interactions between TiO{sub 2} and some noble metal atoms, namely Ag and Cu. This stabilization occurs because of the covalent interaction between iodine-doped TiO{sub 2} and the noble metal atom. Therefore, the stabilization is explained well by chemical hardness. This result suggests that iodine-doping of a TiO{sub 2} surface would be an effective method for the preparation of highly stabilized noble metal clusters.
International Nuclear Information System (INIS)
Humbert, D.
2009-02-01
Advanced developments in computer technologies offer exciting opportunities for new distribution tools and applications in various fields of physics. The convenient and reliable exchange of data is clearly an important component of such applications. Therefore, in 2003, the A and M Data Unit initiated within the collaborative efforts of the DCN (Data Centres Network) a new standard for atomic, molecular and particle surface interaction data exchange (AM/PSI) based on XML (eXtensible Markup Language). The schema is named XSAMS which stands for 'XML Schema for Atoms Molecules and Solids'. A working group composed of staff from the IAEA, NIST, ORNL and Observatoire Paris-Meudon meets biannually to discuss progress made on XSAMS, and to foresee new developments and actions to be taken to promote this standard for AM/PSI data exchange. Such a meeting was held on 27 October 2008, and the discussions and progress made in the schema are considered within this report. (author)
International Nuclear Information System (INIS)
Amovilli, C; March, N H
2012-01-01
Utilizing the earlier work of Holas et al (2003 Phys. Lett. A 310 451) and the more recent contribution of Akbari et al (2009 Phys. Rev. A 80 032509), we construct an integral equation for the relative motion (RM) contribution t RM (r) to the correlated kinetic energy density for modelling two-electron atoms with harmonic confinement but arbitrary interparticle interaction. It is stressed that t RM = t RM [f(G)], where f(G) is the atomic scattering factor: the Fourier transform of the density ρ(r). As a simple illustrative example of this functional relation for the correlated kinetic energy density, the harmonic Moshinsky case is investigated, the scattering factor then having a Gaussian form. (paper)
International Nuclear Information System (INIS)
Clark, R.E.H.
2003-10-01
The proceedings and conclusions of the Technical Meeting on 'Atomic and Plasma- Material Interaction Data for Fusion Science Technology' held in Juelich, Germany on October 28-31 are summarized. During the course of the meetings working groups were formed to review the status of specific areas of atomic, molecular and material physics of relevance to fusion and to make recommendations on data needs in fusion from these areas. The reports of those working groups are summarized and the complete reports included as appendices. This meeting brought together over fifty leading scientists in fusion related data. Results of research in a number of topics were presented and very useful discussions were held. The meeting was extremely successful. (author)
Two-level method with coarse space size independent convergence
Energy Technology Data Exchange (ETDEWEB)
Vanek, P.; Brezina, M. [Univ. of Colorado, Denver, CO (United States); Tezaur, R.; Krizkova, J. [UWB, Plzen (Czech Republic)
1996-12-31
The basic disadvantage of the standard two-level method is the strong dependence of its convergence rate on the size of the coarse-level problem. In order to obtain the optimal convergence result, one is limited to using a coarse space which is only a few times smaller than the size of the fine-level one. Consequently, the asymptotic cost of the resulting method is the same as in the case of using a coarse-level solver for the original problem. Today`s two-level domain decomposition methods typically offer an improvement by yielding a rate of convergence which depends on the ratio of fine and coarse level only polylogarithmically. However, these methods require the use of local subdomain solvers for which straightforward application of iterative methods is problematic, while the usual application of direct solvers is expensive. We suggest a method diminishing significantly these difficulties.
Wei, Qinghua; Wang, Yanen; Wang, Shuzhi; Zhang, Yingfeng; Chen, Xiongbiao
2017-11-01
The nano-silica can be incorporated into polymers for improved mechanical properties. Notably, the interaction between nano-silica and polymer is of a microscopic phenomenon and thus, hard to observe and study by using experimental methods. Based on molecular dynamics, this paper presents a study on the properties and the interaction mechanism of nano-silica in the polyvinyl alcohol (PVA)/polyacrylamide (PAM) blends at an atomic level. Specifically, six blends of PVA/PAM with varying concentrations of nano-silica (0-13wt%) and two interfacial interaction models of polymers on the silica surface were designed and analyzed at an atomic level in terms of concentration profile, mechanical properties, fractional free volume (FFV), dynamic properties of polymers and X-ray diffraction patterns. The concentration profile results and micromorphologies of equilibrium models suggest PAM molecular chains are easier to be adsorbed on the silica surface than PVA molecular chains in blends. The incorporation of nano-silica into the PVA/PAM blends can increase the blend mechanical properties, densities, and semicrystalline character. Meanwhile, the FFV and the mobility of polymer chain decrease with the silica concentration, which agrees with the results of mechanical properties, densities, and semicrystalline character. Our results also illustrate that an analysis of binding energies and pair correlation functions (PCF) allows for the discovery of the interaction mechanism of nano-silica in PVA/PAM blends; and that hydrogen bond interactions between polar functional groups of polymer molecular chains and the hydroxyl groups of the silica surface are involved in adsorption of the polymers on the silica surface, thus affecting the interaction mechanism of nano-silica in PVA/PAM blend systems. Copyright © 2017 Elsevier Ltd. All rights reserved.
Franson Interference Generated by a Two-Level System
Peiris, M.; Konthasinghe, K.; Muller, A.
2017-01-01
We report a Franson interferometry experiment based on correlated photon pairs generated via frequency-filtered scattered light from a near-resonantly driven two-level semiconductor quantum dot. In contrast to spontaneous parametric down-conversion and four-wave mixing, this approach can produce single pairs of correlated photons. We have measured a Franson visibility as high as 66%, which goes beyond the classical limit of 50% and approaches the limit of violation of Bell's inequalities (70.7%).
Mixing phases of unstable two-level systems
International Nuclear Information System (INIS)
Sokolov, V.V.; Brentano, P. von.
1993-01-01
An unstable two-level system decaying into an arbitrary number of channels is considered. It is shown that the mixing phases of the two overlapping resonances can be expressed in the terms of their partial widths and one additional universal mixing parameter. Some applications to a doublet of 2 + resonances in 8 Be and to the ρ-ω systems are considered. 18 refs
Two-level systems driven by large-amplitude fields
Nori, F.; Ashhab, S.; Johansson, J. R.; Zagoskin, A. M.
2009-03-01
We analyze the dynamics of a two-level system subject to driving by large-amplitude external fields, focusing on the resonance properties in the case of driving around the region of avoided level crossing. In particular, we consider three main questions that characterize resonance dynamics: (1) the resonance condition, (2) the frequency of the resulting oscillations on resonance, and (3) the width of the resonance. We identify the regions of validity of different approximations. In a large region of the parameter space, we use a geometric picture in order to obtain both a simple understanding of the dynamics and quantitative results. The geometric approach is obtained by dividing the evolution into discrete time steps, with each time step described by either a phase shift on the basis states or a coherent mixing process corresponding to a Landau-Zener crossing. We compare the results of the geometric picture with those of a rotating wave approximation. We also comment briefly on the prospects of employing strong driving as a useful tool to manipulate two-level systems. S. Ashhab, J.R. Johansson, A.M. Zagoskin, F. Nori, Two-level systems driven by large-amplitude fields, Phys. Rev. A 75, 063414 (2007). S. Ashhab et al, unpublished.
Analytical investigation of one-dimensional Rydberg atoms interacting with half-cycle pulses
International Nuclear Information System (INIS)
Bersons, I.; Veilande, R.
2004-01-01
Classical, quantum-mechanical, and semiclassical expressions for the transition probability in one-dimensional Rydberg atom irradiated by short half-cycle pulse are derived and compared. The simple formulas obtained for excitation of Rydberg atom by two time delayed weak half-cycle pulses reproduce well the experimental data and the solutions of time-dependent Schroedinger equation. When the transferred momenta are stronger and positive, the transition probabilities exhibit fast oscillations with time delay between the pulses. The classical transition probability is constant in time. For negative transferred momenta a focusing phenomenon is observed, and there is a region in time delay, where the transition probabilities oscillate with the Kepler period
Directory of Open Access Journals (Sweden)
Natsuko Kojima
2011-01-01
Full Text Available The adsorption of cyclohexene with two sp2 and four sp3 carbon atoms in graphitic slit pores was studied by performing grand canonical Monte Carlo simulation. The molecular arrangement of the cyclohexene on the graphitic carbon wall depends on the pore width. The distribution peak of the sp2 carbon is closer to the pore wall than that of the sp3 carbon except for the pore width of 0.7 nm, even though the Lennard-Jones size of the sp2 carbon is larger than that of the sp3 carbon. Thus, the difference in the interactions of the sp2 and sp3 carbon atoms of cyclohexene with the carbon pore walls is clearly observed in this study. The preferential interaction of sp2 carbon gives rise to a slight tilting of the cyclohexene molecule against the graphitic wall. This is suggestive of a π-π interaction between the sp2 carbon in the cyclohexene molecule and graphitic carbon.
Atom-surface potentials and atom interferometry
International Nuclear Information System (INIS)
Babb, J.F.
1998-01-01
Long-range atom-surface potentials characterize the physics of many actual systems and are now measurable spectroscopically in deflection of atomic beams in cavities or in reflection of atoms in atomic fountains. For a ground state, spherically symmetric atom the potential varies as -1/R 3 near the wall, where R is the atom-surface distance. For asymptotically large distances the potential is weaker and goes as -1/R 4 due to retardation arising from the finite speed of light. This diminished interaction can also be interpreted as a Casimir effect. The possibility of measuring atom-surface potentials using atomic interferometry is explored. The particular cases studied are the interactions of a ground-state alkali-metal atom and a dielectric or a conducting wall. Accurate descriptions of atom-surface potentials in theories of evanescent-wave atomic mirrors and evanescent wave-guided atoms are also discussed. (author)
Interactive forces between lignin and cellulase as determined by atomic force microscopy
Qin, Chengrong; Clarke, Kimberley; Li, Kecheng
2014-01-01
Background Lignin is a complex polymer which inhibits the enzymatic conversion of cellulose to glucose in lignocellulose biomass for biofuel production. Cellulase enzymes irreversibly bind to lignin, deactivating the enzyme and lowering the overall activity of the hydrolyzing reaction solution. Within this study, atomic force microscopy (AFM) is used to compare the adhesion forces between cellulase and lignin with the forces between cellulase and cellulose, and to study the moiety groups invo...
International Nuclear Information System (INIS)
Ivanov, E.; Vata, I.; Plostinaru, D.; Catana, D.; Dudu, D.; Constantinescu, O.
2003-01-01
The Time Differential Perturbed Angular Distribution (TDPAD) method in connection with long-lived Positron Life-Time Spectroscopy (PLTS) have been used to observe 'quantum beat' spin oscillations of positronium atom in an external magnetic field. Our results offer an encouraging hint toward a new method of condensed matter investigation by PLTS. Similarities with Muonium Spin Rotation (μSR) method are suggested. (authors)
Mönig, Harry; Amirjalayer, Saeed; Timmer, Alexander; Hu, Zhixin; Liu, Lacheng; Díaz Arado, Oscar; Cnudde, Marvin; Strassert, Cristian Alejandro; Ji, Wei; Rohlfing, Michael; Fuchs, Harald
2018-05-01
Atomic force microscopy is an impressive tool with which to directly resolve the bonding structure of organic compounds1-5. The methodology usually involves chemical passivation of the probe-tip termination by attaching single molecules or atoms such as CO or Xe (refs 1,6-9). However, these probe particles are only weakly connected to the metallic apex, which results in considerable dynamic deflection. This probe particle deflection leads to pronounced image distortions, systematic overestimation of bond lengths, and in some cases even spurious bond-like contrast features, thus inhibiting reliable data interpretation8-12. Recently, an alternative approach to tip passivation has been used in which slightly indenting a tip into oxidized copper substrates and subsequent contrast analysis allows for the verification of an oxygen-terminated Cu tip13-15. Here we show that, due to the covalently bound configuration of the terminal oxygen atom, this copper oxide tip (CuOx tip) has a high structural stability, allowing not only a quantitative determination of individual bond lengths and access to bond order effects, but also reliable intermolecular bond characterization. In particular, by removing the previous limitations of flexible probe particles, we are able to provide conclusive experimental evidence for an unusual intermolecular N-Au-N three-centre bond. Furthermore, we demonstrate that CuOx tips allow the characterization of the strength and configuration of individual hydrogen bonds within a molecular assembly.
Light-pressure-induced nonlinear dispersion of a laser field interacting with an atomic gas
International Nuclear Information System (INIS)
Grimm, R.; Mlynek, J.
1990-01-01
We report on detailed studies of the effect of resonant light pressure on the optical response of an atomic gas to a single monochromatic laser field. In this very elementary situation of laser spectroscopy, the redistribution of atomic velocities that is induced by spontaneous light pressure leads to a novel contribution to the optical dispersion curve of the medium. This light-pressure-induced dispersion phenomenon displays a pronounced nonlinear dependence on the laser intensity. Moreover, for a given intensity, its strength is closely related to the laser beam diameter. As most important feature, this light-pressure-induced dispersion displays an even symmetry with respect to the optical detuning from line center. As a result, the total Doppler-broadened dispersion curve of the gas can become asymmetric, and a significant shift of the dispersion line center can occur. In addition to a detailed theoretical description of the phenomenon, we report on its experimental investigation on the λ=555.6 nm 1 S 0 - 3 P 1 transition in atomic ytterbium vapor with the use of frequency-modulation spectroscopy. The experimental findings are in good quantitative agreement with theoretical predictions
International Nuclear Information System (INIS)
Miao Jingwei; Yang Chaowen; An Zhu; Yuan Xuedong; Sun Weiguo; Luo Xiaobing; Wang Hu; Bai Lixing; Shi Miangong; Miao Lei; Zhen Zhijian; Gu Yuqin; Liu Hongjie; Zhu Zhouseng; Sun Liwei; Liao Xuehua
2007-01-01
The fusion mechanism of large deuterium clusters (100-1000 Atoms/per cluster) in super-intense ultra-short laser pulse field, Coulomb explosions of micro-cluster in solids, gases and Large-size clusters have been studied using the interaction of a high-intensity femtosecond laser pulses with large deuterium clusters, collision of high-quality beam of micro-cluster from 2.5 MV van de Graaff accelerator with solids, gases and large clusters. The experimental advance of the project is reported. (authors)
Energy Technology Data Exchange (ETDEWEB)
Okumura, M., E-mail: okumura.masahiko@jaea.go.j [CCSE, Japan Atomic Energy Agency, 6-9-3 Higashi-Ueno, Taito-ku, Tokyo 110-0015 (Japan); CREST (JST), 4-1-8 Honcho, Kawaguchi, Saitama 332-0012 (Japan); Onishi, H. [Advanced Science Research Center, Japan Atomic Energy Agency, Tokai, Ibaraki 319-1195 (Japan); Yamada, S. [CCSE, Japan Atomic Energy Agency, 6-9-3 Higashi-Ueno, Taito-ku, Tokyo 110-0015 (Japan); CREST (JST), 4-1-8 Honcho, Kawaguchi, Saitama 332-0012 (Japan); Machida, M. [CCSE, Japan Atomic Energy Agency, 6-9-3 Higashi-Ueno, Taito-ku, Tokyo 110-0015 (Japan); CREST (JST), 4-1-8 Honcho, Kawaguchi, Saitama 332-0012 (Japan) and JST, TRIP, Sambancho Chiyoda-ku, Tokyo 102-0075 (Japan)
2010-12-15
We study center of mass (CoM) motions of attractively interacting fermionic atoms loaded on an one-dimensional optical lattice confined by a harmonic potential at zero temperature by using adaptive time-dependent density-matrix renormalization-group method. We find that the CoM motions in weak and strong attraction show underdamped and overdamped motions, respectively, which are consistent with the experimental results of the CoM motion in the three-dimensional optical lattice. In addition, we find spin-imbalance effects on the CoM motion, which slow the CoM motion down.
International Nuclear Information System (INIS)
Chezhina, N.V.; Kuznetsova, I.V.
1995-01-01
Solid solutions of LaCa 0.5 Sr 0.5 Ni x Al 1-x O 4 (0≤x≤0.10) have been synthesized and their magnetic susceptibility in the temperature range of 77-400 K has been studied. The change in the basic state of nickel atoms in case of partial substitution of calcium for strontium atoms has been studied. The change in the basic state of nickel atoms in case of partial substitution of calcium for strontium atoms has been studied, as well as the way it affects exchange interaction in a complex oxide. It is shown that the substitution results in increase of the degree of paramagnetic atoms aggregation in solid solution. 9 refs., 2 figs., 1 tab
Screening of Coulomb interaction and many-body perturbation theory in atoms
International Nuclear Information System (INIS)
Dzyuba, V.A.; Flambaum, V.V.; Sil'vestrov, P.G.; Sushkov, O.P.
1988-01-01
Taking into account the electron Coulomb interaction screening considerably improves the convergence of perturbation theory in residual interaction. The developed technique allows to take into account screening diagrams in all orders of perturbation theory. Calculation of the correlation corrections to the thallium energy levels is carried out as an example
Atomic data for controlled fusion research. Volume III. Particle interactions with surfaces
International Nuclear Information System (INIS)
Thomas, E.W.
1985-02-01
This report provides a handbook of data concerning particle solid interactions that are relevant to plasma-wall interactions in fusion devices. Published data have been collected, assessed, and represented by a single functional relationship which is presented in both tabular and graphical form. Mechanisms reviewed here include sputtering, secondary electron emission, particle reflection, and trapping
Atomic fusion, Gerrard atomic fusion
International Nuclear Information System (INIS)
Gerrard, T.H.
1980-01-01
In the approach to atomic fusion described here the heat produced in a fusion reaction, which is induced in a chamber by the interaction of laser beams and U.H.F. electromagnetic beams with atom streams, is transferred to a heat exchanger for electricity generation by a coolant flowing through a jacket surrounding the chamber. (U.K.)
International Nuclear Information System (INIS)
Humbert, D.; Braams, B.J.
2010-01-01
Developments in computer technology offer exciting new opportunities for the reliable and convenient exchange of data. Therefore, in 2003 the Atomic and Molecular Data Unit initiated within the collaborative efforts of the A+M Data Centres Network a new standard for exchange of atomic, molecular and particle-solid interaction (AM/PSI) data based on the Extended Markup Language (XML). The standard is named XSAMS, which stands for XML Schema for Atoms, Molecules, and Solids. A working group composed of staff from the IAEA, NIST, ORNL, Observatoire Paris-Meudon and other institutions meets approximately biannually to discuss progress made on XSAMS, and to foresee new developments and actions to be taken to promote this standard for AM/PSI data exchange. Such a meeting was held 10-11 September 2009 at IAEA Headquarters, Vienna, and the discussions and results of the meeting are presented here. The principal concern of the meeting was the preparation of the first public release, version 0.1, of XSAMS. (author)
Gujarati, Tanvi P.; Wu, Yukai; Duan, Luming
2018-03-01
Duan-Lukin-Cirac-Zoller quantum repeater protocol, which was proposed to realize long distance quantum communication, requires usage of quantum memories. Atomic ensembles interacting with optical beams based on off-resonant Raman scattering serve as convenient on-demand quantum memories. Here, a complete free space, three-dimensional theory of the associated read and write process for this quantum memory is worked out with the aim of understanding intrinsic retrieval efficiency. We develop a formalism to calculate the transverse mode structure for the signal and the idler photons and use the formalism to study the intrinsic retrieval efficiency under various configurations. The effects of atomic density fluctuations and atomic motion are incorporated by numerically simulating this system for a range of realistic experimental parameters. We obtain results that describe the variation in the intrinsic retrieval efficiency as a function of the memory storage time for skewed beam configuration at a finite temperature, which provides valuable information for optimization of the retrieval efficiency in experiments.
Tada, Kohei; Koga, Hiroaki; Okumura, Mitsutaka; Tanaka, Shingo
2018-04-01
A model (112) surface slab of anatase TiO2 (112) was optimized, and the adsorption of Au atoms onto the (112) surface was investigated by first-principles calculations based on DFT (density functional theory) with the generalized gradient approximation (GGA). Furthermore, the results were compared with those of Au/anatase TiO2 (101) system. The (112) surface has a ridge and a groove (zig-zag structure). The Au atoms were strongly adsorbed in the grooves but became unstable as they climbed toward the ridges, and the promotion of electrons in the 5d orbitals to the 6s and 6p orbitals in the absorbed Au atom occurred. At the Au/anatase TiO2 interface, the Au-Ti4+ coordinate bond in the (112) system is stronger than that in the (101) system because the promotion of electrons is greater in the former interaction than the latter. The results suggest that Au/anatase TiO2 catalysts with a higher dispersion of Au nanoparticles could be prepared when the (112) surface is preferentially exposed.
Perturbation Theory for Open Two-Level Nonlinear Quantum Systems
International Nuclear Information System (INIS)
Zhang Zhijie; Jiang Dongguang; Wang Wei
2011-01-01
Perturbation theory is an important tool in quantum mechanics. In this paper, we extend the traditional perturbation theory to open nonlinear two-level systems, treating decoherence parameter γ as a perturbation. By this virtue, we give a perturbative solution to the master equation, which describes a nonlinear open quantum system. The results show that for small decoherence rate γ, the ratio of the nonlinear rate C to the tunneling coefficient V (i.e., r = C/V) determines the validity of the perturbation theory. For small ratio r, the perturbation theory is valid, otherwise it yields wrong results. (general)
Modal intersection types, two-level languages, and staged synthesis
DEFF Research Database (Denmark)
Henglein, Fritz; Rehof, Jakob
2016-01-01
-linguistic framework for staged program synthesis, where metaprograms are automatically synthesized which, when executed, generate code in a target language. We survey the basic theory of staged synthesis and illustrate by example how a two-level language theory specialized from λ∩ ⎕ can be used to understand......A typed λ-calculus, λ∩ ⎕, is introduced, combining intersection types and modal types. We develop the metatheory of λ∩ ⎕, with particular emphasis on the theory of subtyping and distributivity of the modal and intersection type operators. We describe how a stratification of λ∩ ⎕ leads to a multi...... the process of staged synthesis....
How to Connect Cardiac Excitation to the Atomic Interactions of Ion Channels.
Silva, Jonathan R
2018-01-23
Many have worked to create cardiac action potential models that explicitly represent atomic-level details of ion channel structure. Such models have the potential to define new therapeutic directions and to show how nanoscale perturbations to channel function predispose patients to deadly cardiac arrhythmia. However, there have been significant experimental and theoretical barriers that have limited model usefulness. Recently, many of these barriers have come down, suggesting that considerable progress toward creating these long-sought models may be possible in the near term. Copyright © 2017 Biophysical Society. Published by Elsevier Inc. All rights reserved.
The effective atomic number for gamma ray interactions with heavy metal oxide glasses
DEFF Research Database (Denmark)
Manohara, S. R.; Hanagodimath, S.M.; Gerward, Leif
2010-01-01
The effective atomic number, Z(eff), and the effective electron density, N-el,N-eff, have been calculated at photon energies from 1 keV to 100 GeV for CaO-SrO-B2O3, ZnO-PbO-B2O3, and CdO-PbO-B2O3 glasses with potential applications as gamma ray shielding materials. Appreciable variations are noted...... glasses have gamma ray shielding properties comparable with standard shielding materials, such as concrete....
Energy Technology Data Exchange (ETDEWEB)
Tran Bang Diep [Institute for Nuclear Science and Technique, VAEC, P.O. Box 5T-160, Hanoi (Viet Nam)]. E-mail: tranfbangdiepj@yahoo.com; Tran Dai Nghiep [Institute for Nuclear Science and Technique, VAEC, P.O. Box 5T-160, Hanoi (Viet Nam)]. E-mail: tdnghiep@vaec.gov.vn
2005-07-01
The application of radiochemical neutron activation analysis (RNAA) and atomic absorption spectrometry (AAS) is expected to aid in understanding and evaluating the effects of environmental pollution on the nutritional status of children already exposed to marginal malnutrition. Samples of placenta, of low-weight and control newborns groups, were collected for determination of nutritional elements and pollutants. The mean ratios of pollutants and nutrients such as Cd/Zn, Hg/Se and Pb/Ca were evaluated for both groups. All these ratios in the placenta of the low-weight newborns are higher than that of the healthy group. The degree of the nutrient-pollutant interaction is evaluated by quantity R, with mercury considered as the most active pollutant while calcium the most active nutrient among the involved elements in process of the interaction. (author)
International Nuclear Information System (INIS)
Tran Bang Diep; Tran Dai Nghiep
2005-01-01
The application of radiochemical neutron activation analysis (RNAA) and atomic absorption spectrometry (AAS) is expected to aid in understanding and evaluating the effects of environmental pollution on the nutritional status of children already exposed to marginal malnutrition. Samples of placenta, of low-weight and control newborns groups, were collected for determination of nutritional elements and pollutants. The mean ratios of pollutants and nutrients such as Cd/Zn, Hg/Se and Pb/Ca were evaluated for both groups. All these ratios in the placenta of the low-weight newborns are higher than that of the healthy group. The degree of the nutrient-pollutant interaction is evaluated by quantity R, with mercury considered as the most active pollutant while calcium the most active nutrient among the involved elements in process of the interaction. (author)
Anselmetti, Dario; Bartels, Frank Wilco; Becker, Anke; Decker, Björn; Eckel, Rainer; McIntosh, Matthew; Mattay, Jochen; Plattner, Patrik; Ros, Robert; Schäfer, Christian; Sewald, Norbert
2008-02-19
Tunable and switchable interaction between molecules is a key for regulation and control of cellular processes. The translation of the underlying physicochemical principles to synthetic and switchable functional entities and molecules that can mimic the corresponding molecular functions is called reverse molecular engineering. We quantitatively investigated autoinducer-regulated DNA-protein interaction in bacterial gene regulation processes with single atomic force microscopy (AFM) molecule force spectroscopy in vitro, and developed an artificial bistable molecular host-guest system that can be controlled and regulated by external signals (UV light exposure and thermal energy). The intermolecular binding functionality (affinity) and its reproducible and reversible switching has been proven by AFM force spectroscopy at the single-molecule level. This affinity-tunable optomechanical switch will allow novel applications with respect to molecular manipulation, nanoscale rewritable molecular memories, and/or artificial ion channels, which will serve for the controlled transport and release of ions and neutral compounds in the future.
Optical bistability of a thin film of resonant atoms in a phase-sensitive thermostate
International Nuclear Information System (INIS)
Basharov, A.M.
1995-01-01
It is shown theoretically that when a thin film of two-level atoms interacting with a resonant coherent electromagnetic wave is additionally illuminated with a squeezed field, a bistable transmission/reflection regime for coherent waves is obtained. This regime depends strongly on the phase difference between the coherent and the squeezed fields. New regimes, including a bistable regime, for the interaction of a coherent field with a film of resonant atoms are predicted based on this phenomenon. 14 refs., 5 figs
Two-level schemes for the advection equation
Vabishchevich, Petr N.
2018-06-01
The advection equation is the basis for mathematical models of continuum mechanics. In the approximate solution of nonstationary problems it is necessary to inherit main properties of the conservatism and monotonicity of the solution. In this paper, the advection equation is written in the symmetric form, where the advection operator is the half-sum of advection operators in conservative (divergent) and non-conservative (characteristic) forms. The advection operator is skew-symmetric. Standard finite element approximations in space are used. The standard explicit two-level scheme for the advection equation is absolutely unstable. New conditionally stable regularized schemes are constructed, on the basis of the general theory of stability (well-posedness) of operator-difference schemes, the stability conditions of the explicit Lax-Wendroff scheme are established. Unconditionally stable and conservative schemes are implicit schemes of the second (Crank-Nicolson scheme) and fourth order. The conditionally stable implicit Lax-Wendroff scheme is constructed. The accuracy of the investigated explicit and implicit two-level schemes for an approximate solution of the advection equation is illustrated by the numerical results of a model two-dimensional problem.
Two-level systems driven by large-amplitude fields
International Nuclear Information System (INIS)
Ashhab, S.; Johansson, J. R.; Zagoskin, A. M.; Nori, Franco
2007-01-01
We analyze the dynamics of a two-level system subject to driving by large-amplitude external fields, focusing on the resonance properties in the case of driving around the region of avoided level crossing. In particular, we consider three main questions that characterize resonance dynamics: (1) the resonance condition (2) the frequency of the resulting oscillations on resonance, and (3) the width of the resonance. We identify the regions of validity of different approximations. In a large region of the parameter space, we use a geometric picture in order to obtain both a simple understanding of the dynamics and quantitative results. The geometric approach is obtained by dividing the evolution into discrete time steps, with each time step described by either a phase shift on the basis states or a coherent mixing process corresponding to a Landau-Zener crossing. We compare the results of the geometric picture with those of a rotating wave approximation. We also comment briefly on the prospects of employing strong driving as a useful tool to manipulate two-level systems
Kinetic analysis of interaction between N atoms and O-covered Ru(0001)
International Nuclear Information System (INIS)
Kang, Kai; Kleyn, A. W.; Gleeson, M. A.
2015-01-01
Eley-Rideal (ER) reactions involving neutral atoms heavier than hydrogen reacting with adsorbed atoms of similar mass were first observed in recent molecular beam experiments by Zaharia et al. [Phys. Rev. Lett. 113, 053201 (2014)]. Through analysis of two types of measurements, they obtained different estimations for the N–O ER reaction cross section, one of which is unexpectedly high. This was qualitatively accounted for by invoking a secondary effect whereby the presence of N adatoms on the surface acted to “shield” O adatoms from prompt recombinative desorption. We apply a rate equation model that includes two ER processes involving different adsorbed species (N–O ad and N–N ad ) and an N-adsorption process to the full-beam exposure subset of the experimental data in order to study the reaction kinetics. Values for the individual reaction cross sections are derived. The measured N 2 response can be well described by the model, but it is insufficient to completely describe the NO response. Modeling of different exposures is used to evaluate the qualitative picture presented by Zaharia et al
Energy Technology Data Exchange (ETDEWEB)
Zhu, Bida [Department of Mechanics, Huazhong University of Science and Technology, Wuhan 430074 (China); Huang, Minsheng, E-mail: mshuang@hust.edu.cn [Department of Mechanics, Huazhong University of Science and Technology, Wuhan 430074 (China); Hubei Key Laboratory of Engineering Structural Analysis and Safety Assessment, Luoyu Road 1037, Wuhan 430074 (China); Li, Zhenhuan [Department of Mechanics, Huazhong University of Science and Technology, Wuhan 430074 (China); Hubei Key Laboratory of Engineering Structural Analysis and Safety Assessment, Luoyu Road 1037, Wuhan 430074 (China)
2017-04-15
High concentrations of vacancies tend to be formed inside the metal materials under irradiation, and then accumulate and cluster together gradually to promote the formation of nanovoids. Generally, these voids act as obstacles for dislocation glide and thereby change/degrade the mechanical behavior of irradiated materials. In this work, the interaction between ellipsoidal nanovoids with edge dislocations in alpha-iron has been studied by atomic simulations. The results illuminate that the ellipsoidal void’s semi-major axis on the slip plane and parallel to the dislocation line is the dominant factor controlling the obstacle strength of ellipsoidal nanovoids. Two other semi-major axes, which are perpendicular to the glide plane and parallel to the Burgers vector, respectively, can also influence the critical resolved shear stress (CRSS) for dislocation shearing the ellipsoidal void. The intrinsic atomic mechanisms controlling above phenomena, such as nanovoid-geometry spatial constraint and nanovoid-surface curvature on dislocation evolution, have been discussed carefully. The classical continuum model has been amended to describe the dislocation-ellipsoidal nanovoid interaction base on current results. In addition, the influence of temperature on the CRSS of ellipsoidal nanovoids has also been investigated.
International Nuclear Information System (INIS)
Sellin, I.A.; Elston, S.B.
1981-01-01
This section describes the background and scope of as well as progress made on experiments designed to test the present theory of charge exchange to continuum for the case of bare nuclei on atomic hydrogen. The charge transfer process is well known to be an essential ingredient of any attempt to understand the ionization of gaseous media traversed by highly-charged energetic ions. Surprisingly, a sometimes dominant contribution to such ionization remained undiscovered until the past decade. This process, known as charge transfer to the continuum, involves the ionization of electrons from the target species into unbound states closely matched in exit direction and speed to the charged particles which generate them. Subsequent measurements of the resultant forward electron production, performed by University of Tennessee searchers at Oak Ridge and Brookhaven National Laboratories, were unique in employing more highly charged projectiles than previously
Directory of Open Access Journals (Sweden)
Li Yuqin
2014-01-01
Full Text Available The interaction of patulin with human serum albumin (HSA was studied in vitro under normal physiological conditions. The study was performed using fluorescence, ultraviolet-visible spectroscopy (UV-Vis, circular dichroism (CD, atomic force microscopy (AFM, and molecular modeling techniques. The quenching mechanism was investigated using the association constants, the number of binding sites, and basic thermodynamic parameters. A dynamic quenching mechanism occurred between HSA and patulin, and the binding constants (K were 2.60 × 104, 4.59 × 104, and 7.01 × 104 M−1 at 288, 300, and 310 K, respectively. Based on fluorescence resonance energy transfer, the distance between the HSA and patulin was determined to be 2.847 nm. The ΔG0, ΔH0, and ΔS0 values across various temperatures indicated that hydrophobic interaction was the predominant binding force. The UV-Vis and CD results confirmed that the secondary structure of HSA was altered in the presence of patulin. The AFM results revealed that the individual HSA molecule dimensions were larger after interaction with patulin. In addition, molecular modeling showed that the patulin-HSA complex was stabilized by hydrophobic and hydrogen bond forces. The study results suggested that a weak intermolecular interaction occurred between patulin and HSA. Overall, the results are potentially useful for elucidating the toxigenicity of patulin when it is combined with the biomolecular function effect, transmembrane transport, toxicological, testing and other experiments.
Li, Yuqin; Jia, Baoxiu; Wang, Hao; Li, Nana; Chen, Gaopan; Lin, Yuejuan; Gao, Wenhua
2013-04-01
The interaction of 2-mercaptobenzimidazole (MBI) with human serum albumin (HSA) was studied in vitro by equilibrium dialysis under normal physiological conditions. This study used fluorescence, ultraviolet-visible spectroscopy (UV-vis), Fourier transform infrared (FT-IR), circular dichroism (CD) and Raman spectroscopy, atomic force microscopy (AFM) and molecular modeling techniques. Association constants, the number of binding sites and basic thermodynamic parameters were used to investigate the quenching mechanism. Based on the fluorescence resonance energy transfer, the distance between the HSA and MBI was 2.495 nm. The ΔG(0), ΔH(0), and ΔS(0) values across temperature indicated that the hydrophobic interaction was the predominant binding Force. The UV, FT-IR, CD and Raman spectra confirmed that the HSA secondary structure was altered in the presence of MBI. In addition, the molecular modeling showed that the MBI-HSA complex was stabilized by hydrophobic forces, which resulted from amino acid residues. The AFM results revealed that the individual HSA molecule dimensions were larger after interaction with MBI. Overall, this study suggested a method for characterizing the weak intermolecular interaction. In addition, this method is potentially useful for elucidating the toxigenicity of MBI when it is combined with the biomolecular function effect, transmembrane transport, toxicological testing and other experiments. Copyright © 2012 Elsevier B.V. All rights reserved.
Two-level modelling of real estate taxtation
DEFF Research Database (Denmark)
Gall, Jaroslav; Stubkjær, Erik
2006-01-01
Real estate taxes recurrently attract attention, because they are a source of potentially increased revenue for local and national government. Most experts agree that it is necessary to switch from using normative values for taxation to a market-value-based taxation of real property with computer......-assisted mass valuation, witch benefit from use of value maps. In Czech Republic, efforts have been made to adopt current tax policy goals, but improvements are still needed. The paper aims at supporting the current improvement process towards a market based system. It presents models, which describe aspects...... of the present Czech property tax system. A proposal for the future system focuses on the value map component. The described change depends on political involvement. This political activity is modelled as well. The hypothesis is that the two-level modelling effort enhances the change process by providing...
Excitation of graphene plasmons as an analogy with the two-level system
Energy Technology Data Exchange (ETDEWEB)
Fu, Jiahui [Microwave and Electromagnetic Laboratory, Harbin Institute of Technology, No. 92, Xidazhi Street, Nangang District, Harbin City, Heilongjiang Province (China); Lv, Bo, E-mail: lb19840313@126.com [Microwave and Electromagnetic Laboratory, Harbin Institute of Technology, No. 92, Xidazhi Street, Nangang District, Harbin City, Heilongjiang Province (China); Li, Rujiang [College of Information Science and Electronic Engineering, Zhejiang University, Hangzhou 310027 (China); Ma, Ruyu; Chen, Wan; Meng, Fanyi [Microwave and Electromagnetic Laboratory, Harbin Institute of Technology, No. 92, Xidazhi Street, Nangang District, Harbin City, Heilongjiang Province (China)
2016-02-15
The excitation of graphene plasmons (GPs) is presented as an interaction between the GPs and the incident electromagnetic field. In this Letter, the excitation of GPs in a plasmonic system is interpreted as an analogy with the two-level system by taking the two-coupled graphene-covered gratings as an example. Based on the equivalent circuit theory, the excitation of GPs in the graphene-covered grating is equivalent to the resonance of an oscillator. Thus, according to the governing equation, the electric currents at the resonant frequencies for two-coupled graphene-covered gratings correspond to the energy states in a two-level system. In addition, the excitation of GPs in different two-coupled graphene-covered gratings is numerically studied to validate our theoretical model. Our work provides an intuitive understanding of the excitation of GPs using an analogy with the two-level system. - Highlights: • The excitation of graphene plasmons (GPs) in graphene-covered grating is equivalent to the resonance of an oscillator. • We establish the equivalent circuit of two-level system to analyze the resonant character. • The excitation of GPs in different two-coupled graphene-covered gratings are numerically studied to validate our theoretical model.
Excitation of graphene plasmons as an analogy with the two-level system
International Nuclear Information System (INIS)
Fu, Jiahui; Lv, Bo; Li, Rujiang; Ma, Ruyu; Chen, Wan; Meng, Fanyi
2016-01-01
The excitation of graphene plasmons (GPs) is presented as an interaction between the GPs and the incident electromagnetic field. In this Letter, the excitation of GPs in a plasmonic system is interpreted as an analogy with the two-level system by taking the two-coupled graphene-covered gratings as an example. Based on the equivalent circuit theory, the excitation of GPs in the graphene-covered grating is equivalent to the resonance of an oscillator. Thus, according to the governing equation, the electric currents at the resonant frequencies for two-coupled graphene-covered gratings correspond to the energy states in a two-level system. In addition, the excitation of GPs in different two-coupled graphene-covered gratings is numerically studied to validate our theoretical model. Our work provides an intuitive understanding of the excitation of GPs using an analogy with the two-level system. - Highlights: • The excitation of graphene plasmons (GPs) in graphene-covered grating is equivalent to the resonance of an oscillator. • We establish the equivalent circuit of two-level system to analyze the resonant character. • The excitation of GPs in different two-coupled graphene-covered gratings are numerically studied to validate our theoretical model.
Energy Technology Data Exchange (ETDEWEB)
Zwier, Timothy S. [Purdue Univ., West Lafayette, IN (United States)
2012-07-20
The Gordon Research Conference on ATOMIC & MOLECULAR INTERACTIONS was held at Stonehill College Easton, Massachusetts, July 15-20, 2012. The Conference was well-attended with 121 participants (attendees list attached). The attendees represented the spectrum of endeavor in this field coming from academia, industry, and government laboratories, both U.S. and foreign scientists, senior researchers, young investigators, and students. Of the 121 attendees, 64 voluntarily responded to a general inquiry regarding ethnicity which appears on our registration forms. Of the 64 respondents, 11% were Minorities – 2% Hispanic, 9% Asian and 0% African American. Approximately 20% of the participants at the 2012 meeting were women. The Gordon Research SEMINAR on ATOMIC & MOLECULAR INTERACTIONS was held at Stonehill College Easton, Massachusetts, July 14 - 15, 2012. The Conference was well-attended with 42 participants (attendees list attached). The attendees represented the spectrum of endeavor in this field coming from academia, industry, and government laboratories, both U.S. and foreign scientists, senior researchers, young investigators, and students. Of the 42 attendees, 20 voluntarily responded to a general inquiry regarding ethnicity which appears on our registration forms. Of the 20 respondents, 10% were Minorities – 0% Hispanic, 10% Asian and 0% African American. Approximately 29% of the participants at the 2012 meeting were women. In designing the formal speakers program, emphasis was placed on current unpublished research and discussion of the future target areas in this field. There was a conscious effort to stimulate lively discussion about the key issues in the field today. Time for formal presentations was limited in the interest of group discussions. In order that more scientists could communicate their most recent results, poster presentation time was scheduled. Attached is a copy of the formal schedule and speaker program and the poster program. In addition to
DEFF Research Database (Denmark)
Askou, Hans Jakob; Jakobsen, Rasmus Neergaard; Fojan, Peter
2008-01-01
. The present study indicates that the mode of action for indolicidin can be best described by a stepwise interaction of the peptide with the membrane. Formation of pores however can not be supported on the basis of our experiments. (Cited By) View on PubMed PMID: 19049026 Udgivelsesdato: SEP...
Kπ=1+ pairing interaction and moments of inertia of superdeformed rotational bands in atomic nuclei
International Nuclear Information System (INIS)
Hamamoto, I.; Nazarewicz, W.
1994-01-01
The effect of the pairing interaction coming from the rotationally induced K π =1 + pair-density on the nuclear moments of inertia is studied. It is pointed out that, contrary to the situation at normal deformations, the inclusion of the K π =1 + pairing may appreciably modify the frequency dependence of the moments of inertia at superdeformed shapes
The photonics collapse-revival's of intensity-dependent coupling of lambda atoms and fields
International Nuclear Information System (INIS)
Hajivandi, J.; Golshan, M. M.
2007-01-01
In this paper, we extend the intensity-dependent coupling of the interaction of two-level atoms and an electromagnetic field, originated by Sivakumar, to that of Λ-type atoms. In addition, we assume that the interaction occurs in a Kerr medium. In the present model we allow the Λ-type atom to interact with two quantized electromagnetic fields, one of which is initially coherent while the other one is not. We thus report the effect of such coupling and the medium on the collapse-revival's of the photonic mean numbers.
DEFF Research Database (Denmark)
Lühr, Armin Christian; Fischer, Nicolas; Saenz, Alejandro
2009-01-01
Ionization and excitation cross sections as well as electron-energy spectra and stopping powers of the alkali metal atoms Li, Na, K, and Rb colliding with antiprotons were calculated using a time-dependent channel-coupling approach. An impact-energy range from 0.25 to 4000 keV was considered....... The target atoms are treated as effective one-electron systems using a model potential. The results are compared with calculated cross sections for antiproton-hydrogen atom collisions....
Atomic-scale details of dislocation-stacking fault tetrahedra interaction
International Nuclear Information System (INIS)
Osetsky, Yu. N.; Stoller, R.E.; Rodney, D.; Bacon, D.J.
2005-01-01
Stacking fault tetrahedra (SFTs) are formed during irradiation of f.c.c. metals and alloys with low stacking fault energy. The high number density of SFTs observed suggests that they should contribute to radiation-induced hardening and, therefore, be taken into account when estimating mechanical property changes of irradiated materials. Key issue is to describe the interaction between a moving dislocation and an individual SFT, which is characterized by a small physical scale of about 100 nm. In this paper we present results of an atomistic simulation of edge and screw dislocations interacting with small SFTs at different temperatures and strain rates and present mechanisms which can explain the formation of defect-free channels observed experimentally
Long-range dispersion interactions. II. Alkali-metal and rare-gas atoms
International Nuclear Information System (INIS)
Mitroy, J.; Zhang, J.-Y.
2007-01-01
The dispersion coefficients for the van der Waals interactions between the rare gases Ne, Ar, Kr, and Xe and the low-lying states of Li, Na, K, and Rb are estimated using a combination of ab initio and semiempirical methods. The rare-gas oscillator strength distributions for the quadrupole and octupole transitions were derived by using high-quality calculations of rare-gas polarizabilities and dispersion coefficients to tune Hartree-Fock single-particle energies and expectation values
Energy Technology Data Exchange (ETDEWEB)
Peleshchak, R. M., E-mail: peleshchak@rambler.ru; Lazurchak, I. I.; Kuzyk, O. V.; Dan’kiv, O. O. [Ivan Franko Drohobych State Pedagogical University (Ukraine); Zegrya, G. G. [Russian Academy of Sciences, Ioffe Physical–Technical Institute (Russian Federation)
2016-03-15
The role of acoustoelectric effects in the formation of nanoscale structures of adatoms, resulting from the self-consistent interaction of adatoms with a surface acoustic wave and the electronic subsystem, is studied for the case of charged and uncharged adatoms. It is shown that an increase in the doping level of a semiconductor with donor impurities at a fixed average adatom concentration results in an increase in the critical temperature below which self-organization processes occur.
Zhang, Xiaojuan; Yao, Zhixuan; Duan, Yanting; Zhang, Xiaomei; Shi, Jinsong; Xu, Zhenghong
2018-01-11
The specific recognition and binding of promoter and RNA polymerase is the first step of transcription initiation in bacteria and largely determines transcription activity. Therefore, direct analysis of the interaction between promoter and RNA polymerase in vitro may be a new strategy for promoter characterization, to avoid interference due to the cell's biophysical condition and other regulatory elements. In the present study, the specific interaction between T7 promoter and T7 RNA polymerase was studied as a model system using force spectroscopy based on atomic force microscope (AFM). The specific interaction between T7 promoter and T7 RNA polymerase was verified by control experiments, and the rupture force in this system was measured as 307.2 ± 6.7 pN. The binding between T7 promoter mutants with various promoter activities and T7 RNA polymerase was analyzed. Interaction information including rupture force, rupture distance and binding percentage were obtained in vitro , and reporter gene expression regulated by these promoters was also measured according to a traditional promoter activity characterization method in vivo Using correlation analysis, it was found that the promoter strength characterized by reporter gene expression was closely correlated with rupture force and the binding percentage by force spectroscopy. These results indicated that the analysis of the interaction between promoter and RNA polymerase using AFM-based force spectroscopy was an effective and valid approach for the quantitative characterization of promoters. © 2018 The Author(s). Published by Portland Press Limited on behalf of the Biochemical Society.
2015-01-01
Riboflavin receptors are overexpressed in malignant cells from certain human breast and prostate cancers, and they constitute a group of potential surface markers important for cancer targeted delivery of therapeutic agents and imaging molecules. Here we report on the fabrication and atomic force microscopy (AFM) characterization of a core–shell nanocomposite consisting of a gold nanoparticle (AuNP) coated with riboflavin receptor-targeting poly(amido amine) dendrimer. We designed this nanocomposite for potential applications such as a cancer targeted imaging material based on its surface plasmon resonance properties conferred by AuNP. We employed AFM as a technique for probing the binding interaction between the nanocomposite and riboflavin binding protein (RfBP) in solution. AFM enabled precise measurement of the AuNP height distribution before (13.5 nm) and after chemisorption of riboflavin-conjugated dendrimer (AuNP–dendrimer; 20.5 nm). Binding of RfBP to the AuNP–dendrimer caused a height increase to 26.7 nm, which decreased to 22.8 nm when coincubated with riboflavin as a competitive ligand, supporting interaction of AuNP–dendrimer and its target protein. In summary, physical determination of size distribution by AFM imaging can serve as a quantitative approach to monitor and characterize the nanoscale interaction between a dendrimer-covered AuNP and target protein molecules in vitro. PMID:24571134
Energy Technology Data Exchange (ETDEWEB)
Kamiyama, H. (Aomori Public College, 153-4 Yamazaki, Goushi-zawa, Aomori 030-01 (Japan)); Rafii-Tabar, H. (Institute for Materials Research, Tohoku University, 2-1-1 Katahira, Aoba-ku, Sendai 980 (Japan)); Kawazoe, Y. (Institute for Materials Research, Tohoku University, 2-1-1 Katahira, Aoba-ku, Sendai 980 (Japan)); Matsui, H. (Institute for Materials Research, Tohoku University, 2-1-1 Katahira, Aoba-ku, Sendai 980 (Japan))
1994-09-01
According to our model on the mechanism of dislocation bias reduction based on the interaction of dumbbell self-interstitial atoms (SIAs) with dislocation, the bias is significantly different depending on the dumbbell configuration in the dislocation strain field. A large-scale molecular dynamics (MD) simulation is performed to reveal the stability and the mechanism of diffusion of dumbbell SIAs near the edge dislocation core in bcc iron. Most SIAs take the crowdion configuration parallel to the Burgers vector in the expansion side of the dislocation. Such crowdions are stable in the temperature range of this simulation, i.e. between 373 and 473 K, making one-dimensional random to-and-fro motion parallel to the dislocation Burgers vector staying at several atomic layers below'' the dislocation core. This means that the SIA does not approach the dislocation core. These results suggest that the stable configuration of SIAs is seriously affected by the dislocation resulting in a reduction of bias factor. ((orig.))
International Nuclear Information System (INIS)
Kamiyama, H.; Rafii-Tabar, H.; Kawazoe, Y.; Matsui, H.
1994-01-01
According to our model on the mechanism of dislocation bias reduction based on the interaction of dumbbell self-interstitial atoms (SIAs) with dislocation, the bias is significantly different depending on the dumbbell configuration in the dislocation strain field. A large-scale molecular dynamics (MD) simulation is performed to reveal the stability and the mechanism of diffusion of dumbbell SIAs near the edge dislocation core in bcc iron. Most SIAs take the crowdion configuration parallel to the Burgers vector in the expansion side of the dislocation. Such crowdions are stable in the temperature range of this simulation, i.e. between 373 and 473 K, making one-dimensional random to-and-fro motion parallel to the dislocation Burgers vector staying at several atomic layers ''below'' the dislocation core. This means that the SIA does not approach the dislocation core. These results suggest that the stable configuration of SIAs is seriously affected by the dislocation resulting in a reduction of bias factor. ((orig.))
Dispersion coefficients for H and He interactions with alkali-metal and alkaline-earth-metal atoms
International Nuclear Information System (INIS)
Mitroy, J.; Bromley, M.W.J.
2003-01-01
The van der Waals coefficients C 6 , C 8 , and C 10 for H and He interactions with the alkali-metal (Li, Na, K, and Rb) and alkaline-earth-metal (Be, Mg, Ca, and Sr) atoms are determined from oscillator strength sum rules. The oscillator strengths were computed using a combination of ab initio and semiempirical methods. The dispersion parameters generally agree with close to exact variational calculations for Li-H and Li-He at the 0.1% level of accuracy. For larger systems, there is agreement with relativistic many-body perturbation theory estimates of C 6 at the 1% level. These validations for selected systems attest to the reliability of the present dispersion parameters. About half the present parameters lie within the recommended bounds of the Standard and Certain compilation [J. Chem. Phys. 83, 3002 (1985)
Foroutan, Mohammadreza; Zamanpour, Isa; Manafian, Jalil
2017-10-01
This paper presents a number of new solutions obtained for solving a complex nonlinear equation describing dynamics of nonlinear chains of atoms via the improved Bernoulli sub-ODE method (IBSOM) and the extended trial equation method (ETEM). The proposed solutions are kink solitons, anti-kink solitons, soliton solutions, hyperbolic solutions, trigonometric solutions, and bellshaped soliton solutions. Then our new results are compared with the well-known results. The methods used here are very simple and succinct and can be also applied to other nonlinear models. The balance number of these methods is not constant contrary to other methods. The proposed methods also allow us to establish many new types of exact solutions. By utilizing the Maple software package, we show that all obtained solutions satisfy the conditions of the studied model. More importantly, the solutions found in this work can have significant applications in Hamilton's equations and generalized momentum where solitons are used for long-range interactions.
Bizzarri, Anna Rita; Santini, Simona; Coppari, Emilia; Bucciantini, Monica; Di Agostino, Silvia; Yamada, Tohru; Beattie, Craig W; Cannistraro, Salvatore
2011-01-01
p28 is a 28-amino acid peptide fragment of the cupredoxin azurin derived from Pseudomonas aeruginosa that preferentially penetrates cancerous cells and arrests their proliferation in vitro and in vivo. Its antitumor activity reportedly arises from post-translational stabilization of the tumor suppressor p53 normally downregulated by the binding of several ubiquitin ligases. This would require p28 to specifically bind to p53 to inhibit specific ligases from initiating proteosome-mediated degradation. In this study, atomic force spectroscopy, a nanotechnological approach, was used to investigate the interaction of p28 with full-length p53 and its isolated domains at the single molecule level. Analysis of the unbinding forces and the dissociation rate constant suggest that p28 forms a stable complex with the DNA-binding domain of p53, inhibiting the binding of ubiquitin ligases other than Mdm2 to reduce proteasomal degradation of p53.
International Nuclear Information System (INIS)
Dodson, B.W.
1986-01-01
A classical potential incorporating two- and three-body interaction terms has recently been introduced by Stillinger and Weber (SW) for simulation of the liquefaction transition of silicon. The equilibrium mechanical properties of this potential are determined and found to agree well with experimental values. The potential also seems to be adequate for problems involving computation of defect energies, such as the stability of strained-layer superlattice interfaces. However, inadequate treatment of configurations with low coordination number makes modeling of the epitaxial growth of (111) silicon impossible. Simple modifications of the SW potential form do allow for (111) epitaxial growth, but the earliest stages of growth then become unphysical
International Nuclear Information System (INIS)
Yang, Zhimin; Wang, Qiang; Shan, Xiaoye; Zhu, Hongjun; Li, Wei-qi; Chen, Guang-hui
2015-01-01
Metal catalysts play an important role in the nucleation and growth of single-walled carbon nanotubes (SWCNTs). It is essential for probing the nucleation and growth mechanism of SWCNTs to fundamentally understand the properties of the metal catalysts and their interaction with carbon species. In this study, we systematically studied the stability of 13- and 55-atom Fe and Fe-Ni core-shell particles as well as these particles interaction with the carbon atoms using the density functional theory calculations. Icosahedral 13- and 55-atom Fe-Ni core-shell bimetallic particles have higher stability than the corresponding monometallic Fe and Ni particles. Opposite charge transfer (or distribution) in these particles leads to the Fe surface-shell displays a positive charge, while the Ni surface-shell exhibits a negative charge. The opposite charge transfer would induce different chemical activities. Compared with the monometallic Fe and Ni particles, the core-shell bimetallic particles have weaker interaction with C atoms. More importantly, C atoms only prefer staying on the surface of the bimetallic particles. In contrast, C atoms prefer locating into the subsurface of the monometallic particles, which is more likely to form stable metal carbides. The difference of the mono- and bimetallic particles on this issue may result in different nucleation and growth mechanism of SWCNTs. Our findings provide useful insights for the design of bimetallic catalysts and a better understanding nucleation and growth mechanism of SWCNTs
Pixel detector readout electronics with two-level discriminator scheme
International Nuclear Information System (INIS)
Pengg, F.
1998-01-01
In preparation for a silicon pixel detector with more than 3,000 readout channels per chip for operation at the future large hadron collider (LHC) at CERN the analog front end of the readout electronics has been designed and measured on several test-arrays with 16 by 4 cells. They are implemented in the HP 0.8 microm process but compatible with the design rules of the radiation hard Honeywell 0.8 microm bulk process. Each cell contains bump bonding pad, preamplifier, discriminator and control logic for masking and testing within a layout area of only 50 microm by 140 microm. A new two-level discriminator scheme has been implemented to cope with the problems of time-walk and interpixel cross-coupling. The measured gain of the preamplifier is 900 mV for a minimum ionizing particle (MIP, about 24,000 e - for a 300 microm thick Si-detector) with a return to baseline within 750 ns for a 1 MIP input signal. The full readout chain (without detector) shows an equivalent noise charge to 60e - r.m.s. The time-walk, a function of the separation between the two threshold levels, is measured to be 22 ns at a separation of 1,500 e - , which is adequate for the 40 MHz beam-crossing frequency at the LHC. The interpixel cross-coupling, measured with a 40fF coupling capacitance, is less than 3%. A single cell consumes 35 microW at 3.5 V supply voltage
The behaviour of population in a plasma interacting with an atomic gas
International Nuclear Information System (INIS)
Furukane, Utaro; Oda, Toshiatsu.
1983-01-01
The processes leading to the population inversion are investigated in a recombining hydrogen plasma which is interacting with a cool and dense neutral hydrogen gas by using the rate equations on the basis of the CR model and the energy equation for electrons ions and neutral parlicles. The quasi-steady state approximation are used only for the levels higher than a certain level which is not the first excited level. The calculations have shown that the quasi-steady state cannot be realized while intense energy-flows due to the collisional processes exist between different kinds of the particles such as the electrons and the ions in the plasma and the population inversion is realized only in the quasi-steady state following the transient phase. The effects of the initial conditions of the hydrogen plasma and the introduced neutral hydrogen gas on the overpopulation density are also discussed. (author)
Large-dimension configuration-interaction calculations of positron binding to the group-II atoms
International Nuclear Information System (INIS)
Bromley, M. W. J.; Mitroy, J.
2006-01-01
The configuration-interaction (CI) method is applied to the calculation of the structures of a number of positron binding systems, including e + Be, e + Mg, e + Ca, and e + Sr. These calculations were carried out in orbital spaces containing about 200 electron and 200 positron orbitals up to l=12. Despite the very large dimensions, the binding energy and annihilation rate converge slowly with l, and the final values do contain an appreciable correction obtained by extrapolating the calculation to the l→∞ limit. The binding energies were 0.00317 hartree for e + Be, 0.0170 hartree for e + Mg, 0.0189 hartree for e + Ca, and 0.0131 hartree for e + Sr
Yacoot, Andrew; Koenders, Ludger; Wolff, Helmut
2007-02-01
An atomic force microscope (AFM) has been developed for studying interactions between the AFM tip and the sample. Such interactions need to be taken into account when making quantitative measurements. The microscope reported here has both the conventional beam deflection system and a fibre optical interferometer for measuring the movement of the cantilever. Both can be simultaneously used so as to not only servo control the tip movements, but also detect residual movement of the cantilever. Additionally, a high-resolution homodyne differential optical interferometer is used to measure the vertical displacement between the cantilever holder and the sample, thereby providing traceability for vertical height measurements. The instrument is compatible with an x-ray interferometer, thereby facilitating high resolution one-dimensional scans in the X-direction whose metrology is based on the silicon d220 lattice spacing (0.192 nm). This paper concentrates on the first stage of the instrument's development and presents some preliminary results validating the instrument's performance and showing its potential.
Li, Mi; Liu, LianQing; Xi, Ning; Wang, YueChao; Xiao, XiuBin; Zhang, WeiJing
2015-09-01
Cell mechanics plays an important role in cellular physiological activities. Recent studies have shown that cellular mechanical properties are novel biomarkers for indicating the cell states. In this article, temperature-controllable atomic force microscopy (AFM) was applied to quantitatively investigate the effects of temperature and cellular interactions on the mechanics and morphology of human cancer cells. First, AFM indenting experiments were performed on six types of human cells to investigate the changes of cellular Young's modulus at different temperatures and the results showed that the mechanical responses to the changes of temperature were variable for different types of cancer cells. Second, AFM imaging experiments were performed to observe the morphological changes in living cells at different temperatures and the results showed the significant changes of cell morphology caused by the alterations of temperature. Finally, by co-culturing human cancer cells with human immune cells, the mechanical and morphological changes in cancer cells were investigated. The results showed that the co-culture of cancer cells and immune cells could cause the distinct mechanical changes in cancer cells, but no significant morphological differences were observed. The experimental results improved our understanding of the effects of temperature and cellular interactions on the mechanics and morphology of cancer cells.
Interaction of Pd single atoms with different CeO2 crystal planes: A first-principles study
He, Bingling; Wang, Jinlong; Ma, Dongwei; Tian, Zhixue; Jiang, Lijuan; Xu, Yan; Cheng, Sujun
2018-03-01
The adsorption of single Pd atoms on the various CeO2 surfaces, including (111), (110), and (100), has been studied based on the first-principles calculations. It is found that, according to the calculated adsorption energy, interaction strength between Pd and the three CeO2 surfaces follows the order of (100) > (110) > (111). Interestingly, the effect of the electron localization on the surface Ce ions due to the Pd adsorption on its adsorption stability is more significant for the (110) surface than that for the (111) and (100) surfaces. We also find that the formal oxidation states of Pd0, Pdδ+ (δ < 1) and Pd1+ may appear on the CeO2 (111) surface, and Pdδ+ (δ < 1) and Pd1+ could coexist on the CeO2 (100) surfaces. However, under suitable conditions the CeO2 (110) surface may be covered with Pd2+ ions. Present theoretical results clearly suggest that the interaction between Pd and CeO2 nanocrystals significantly depends on the crystal planes of CeO2. It is expected that our study will give useful insights into the effect of CeO2 crystal plane on the physicochemical and catalytic properties of CeO2 supported Pd catalyst.
Dynamical Evolution of an Effective Two-Level System with {\\mathscr{P}}{\\mathscr{T}} Symmetry
Du, Lei; Xu, Zhihao; Yin, Chuanhao; Guo, Liping
2018-05-01
We investigate the dynamics of parity- and time-reversal (PT ) symmetric two-energy-level atoms in the presence of two optical and a radio-frequency (rf) fields. The strength and relative phase of fields can drive the system from unbroken to broken PT symmetric regions. Compared with the Hermitian model, Rabi-type oscillation is still observed, and the oscillation characteristics are also adjusted by the strength and relative phase in the region of unbroken PT symmetry. At exception point (EP), the oscillation breaks down. To better understand the underlying properties we study the effective Bloch dynamics and find the emergence of the z components of the fixed points is the feature of the PT symmetry breaking and the projections in x-y plane can be controlled with high flexibility compared with the standard two-level system with PT symmetry. It helps to study the dynamic behavior of the complex PT symmetric model.
Interaction of ions, atoms, and small molecules with quantized vortex lines in superfluid (4)He.
Mateo, David; Eloranta, Jussi; Williams, Gary A
2015-02-14
The interaction of a number of impurities (H2, Ag, Cu, Ag2, Cu2, Li, He3 (+), He(*) ((3)S), He2 (∗) ((3)Σu), and e(-)) with quantized rectilinear vortex lines in superfluid (4)He is calculated by using the Orsay-Trento density functional theory (DFT) method at 0 K. The Donnelly-Parks (DP) potential function binding ions to the vortex is combined with DFT data, yielding the impurity radius as well as the vortex line core parameter. The vortex core parameter at 0 K (0.74 Å) obtained either directly from the vortex line geometry or through the DP potential fitting is smaller than previously suggested but is compatible with the value obtained from re-analysis of the Rayfield-Reif experiment. All of the impurities have significantly higher binding energies to vortex lines below 1 K than the available thermal energy, where the thermally assisted escape process becomes exponentially negligible. Even at higher temperatures 1.5-2.0 K, the trapping times for larger metal clusters are sufficiently long that the previously observed metal nanowire assembly in superfluid helium can take place at vortex lines. The binding energy of the electron bubble is predicted to decrease as a function of both temperature and pressure, which allows adjusting the trap depth for either permanent trapping or to allow thermally assisted escape. Finally, a new scheme for determining the trapping of impurities on vortex lines by optical absorption spectroscopy is outlined and demonstrated for He(*).
Detuning-induced stimulated Raman adiabatic passage in dense two-level systems
Deng, Li; Lin, Gongwei; Niu, Yueping; Gong, Shangqing
2018-05-01
We investigate the coherence generation in dense two-level systems under detuning-induced stimulated Raman adiabatic passage (D-STIRAP). In the dense two-level system, the near dipole-dipole (NDD) interaction should be taken into consideration. With the increase in the strength of the NDD interaction, it is found that a switchlike transition of the generated coherence from maximum value to zero appears. Meanwhile, the adiabatic condition of the D-STIRAP is destroyed in the presence of the NDD interaction. In order to avoid the sudden decrease in the generated coherence and maintain the maximum value, we can use stronger detuning pulse or pump pulse, between which increasing the intensity of the detuning pulse is of more efficiency. Except for taking advantage of such maximum coherence in the high density case into areas like enhancing the four-wave mixing process, we also point out that the phenomenon of the coherence transition can be applied as an optical switch.
Minimum time control of a pair of two-level quantum systems with opposite drifts
International Nuclear Information System (INIS)
Romano, Raffaele; D’Alessandro, Domenico
2016-01-01
In this paper we solve two equivalent time optimal control problems. On one hand, we design the control field to implement in minimum time the SWAP (or equivalent) operator on a two-level system, assuming that it interacts with an additional, uncontrollable, two-level system. On the other hand, we synthesize the SWAP operator simultaneously, in minimum time, on a pair of two-level systems subject to opposite drifts. We assume that it is possible to perform three independent control actions, and that the total control strength is bounded. These controls either affect the dynamics of the target system, under the first perspective, or, simultaneously, the dynamics of both systems, in the second view. We obtain our results by using techniques of geometric control theory on Lie groups. In particular, we apply the Pontryagin maximum principle, and provide a complete characterization of singular and nonsingular extremals. Our analysis shows that the problem can be formulated as the motion of a material point in a central force, a well known system in classical mechanics. Although we focus on obtaining the SWAP operator, many of the ideas and techniques developed in this work apply to the time optimal implementation of an arbitrary unitary operator. (paper)
Zago, Miriam; Scaltriti, Erika; Fornasari, Maria Emanuela; Rivetti, Claudio; Grolli, Stefano; Giraffa, Giorgio; Ramoni, Roberto; Carminati, Domenico
2012-01-01
Bacteriophages attacking lactic acid bacteria (LAB) still represent a crucial problem in industrial dairy fermentations. The consequences of a phage infection against LAB can lead to fermentation delay, alteration of the product quality and, in most severe cases, the product loss. Phage particles enumeration and phage-host interactions are normally evaluated by conventional plaque count assays, but, in many cases, these methods can be unsuccessful. Bacteriophages of Lactobacillus helveticus, a LAB species widely used as dairy starter or probiotic cultures, are often unable to form lysis plaques, thus impairing their enumeration by plate assay. In this study, we used epifluorescence microscopy to enumerate L. helveticus phage particles from phage-infected cultures and Atomic Force Microscopy (AFM) to visualize both phages and bacteria during the different stages of the lytic cycle. Preliminary, we tested the sensitivity of phage counting by epifluorescence microscopy. To this end, phage particles of ΦAQ113, a lytic phage of L. helveticus isolated from a whey starter culture, were stained by SYBR Green I and enumerated by epifluorescence microscopy. Values obtained by the microscopic method were 10 times higher than plate counts, with a lowest sensitivity limit of ≥6log phage/ml. The interaction of phage ΦAQ113 with its host cell L. helveticus Lh1405 was imaged by AFM after 0, 2 and 5h from phage-host adsorption. The lytic cycle was followed by epifluorescence microscopy counting and the concomitant cell wall changes were visualized by AFM imaging. Our results showed that these two methods can be combined for a reliable phage enumeration and for studying phage and host morphology during infection processes, thus giving a complete overview of phage-host interactions in L. helveticus strains involved in dairy productions. Copyright © 2011 Elsevier B.V. All rights reserved.
Uchida, Satoshi; Yoshida, Taketo; Tochikubo, Fumiyoshi
2017-10-01
Plasma medicine is one of the most attractive applications using atmospheric pressure nonequilibrium plasma. With respect to direct contact of the discharge plasma with a biological membrane, reactive oxygen species play an important role in induction of medical effects. However, complicated interactions between the plasma radicals and membrane have not been understood well. In the present work, we simulated elemental processes at the first stage of physicochemical interactions between oxygen atom and phosphatidylcholine using the quantum mechanical molecular dynamics code in a general software AMBER. The change in the above processes was classified according to the incident energy of oxygen atom. At an energy of 1 eV, the abstraction of a hydrogen atom and recombination to phosphatidylcholine were simultaneously occurred in chemical attachment of incident oxygen atom. The exothermal energy of the reaction was about 80% of estimated one based on the bond energies of ethane. An oxygen atom over 10 eV separated phosphatidylcholine partially. The behaviour became increasingly similar to physical sputtering. The reaction probability of oxygen atom was remarkably high in comparison with that of hydrogen peroxide. These results suggest that we can uniformly estimate various physicochemical dynamics of reactive oxygen species against membrane lipids.
Stadnik, Y. V.; Dzuba, V. A.; Flambaum, V. V.
2018-01-01
In the presence of P , T -violating interactions, the exchange of axionlike particles between electrons and nucleons in atoms and molecules induces electric dipole moments (EDMs) of atoms and molecules. We perform calculations of such axion-exchange-induced atomic EDMs using the relativistic Hartree-Fock-Dirac method including electron core polarization corrections. We present analytical estimates to explain the dependence of these induced atomic EDMs on the axion mass and atomic parameters. From the experimental bounds on the EDMs of atoms and molecules, including Cs 133 , Tl 205 , Xe 129 , Hg 199 , Yb 171 F 19 , Hf 180 F+ 19 , and Th 232 O 16 , we constrain the P , T -violating scalar-pseudoscalar nucleon-electron and electron-electron interactions mediated by a generic axionlike particle of arbitrary mass. Our limits improve on existing laboratory bounds from other experiments by many orders of magnitude for ma≳10-2 eV . We also place constraints on C P violation in certain types of relaxion models.
Directory of Open Access Journals (Sweden)
Moscetti I
2016-08-01
Full Text Available Ilaria Moscetti,1 Emanuela Teveroni,2,3 Fabiola Moretti,3 Anna Rita Bizzarri,1 Salvatore Cannistraro1 1Biophysics and Nanoscience Centre, Department DEB, Università della Tuscia, Viterbo, Italy; 2Department of Endocrinology and Metabolism, Università Cattolica di Roma, Roma, Italy; 3Institute of Cell Biology and Neurobiology, Consiglio Nazionale delle Ricerche (CNR, Roma, Italy Abstract: Murine double minute 2 (MDM2 and 4 (MDM4 are known as the main negative regulators of p53, a tumor suppressor. They are able to form heterodimers that are much more effective in the downregulation of p53. Therefore, the MDM2–MDM4 complex could be a target for promising therapeutic restoration of p53 function. To this aim, a deeper understanding of the molecular mechanisms underlining the heterodimerization is needed. The kinetic and thermodynamic characterization of the MDM2–MDM4 complex was performed with two complementary approaches: atomic force spectroscopy and surface plasmon resonance. Both techniques revealed an equilibrium dissociation constant (KD in the micromolar range for the MDM2–MDM4 heterodimer, similar to related complexes involved in the p53 network. Furthermore, the MDM2–MDM4 complex is characterized by a relatively high free energy, through a single energy barrier, and by a lifetime in the order of tens of seconds. New insights into the MDM2–MDM4 interaction could be highly important for developing innovative anticancer drugs focused on p53 reactivation. Keywords: MDM2, MDM4, atomic force spectroscopy, surface plasmon resonance
Zhou, S.
2017-12-01
the salt ion; whereas if the 1:1 type electrolyte and the symmetrical patterns are considered, then the opposite may be the case. All of these findings can be explained self-consistently from several perspectives: an excess adsorption of the salt ions (induced by the surface charge separation) serving to raise the osmotic pressure between the plates, configuration fine-tuning in the thinner ion adsorption layer driven by the energy decrease principle, direct Coulombic interactions operating between charged objects on the two face-to-face plates involved, and net charge strength in the ion adsorption layer responsible for the net electrostatic repulsion.
Magnetic-field-driven localization of light in a cold-atom gas.
Skipetrov, S E; Sokolov, I M
2015-02-06
We discover a transition from extended to localized quasimodes for light in a gas of immobile two-level atoms in a magnetic field. The transition takes place either upon increasing the number density of atoms in a strong field or upon increasing the field at a high enough density. It has many characteristic features of a disorder-driven (Anderson) transition but is strongly influenced by near-field interactions between atoms and the anisotropy of the atomic medium induced by the magnetic field.
Joint Remote State Preparation of a Single-Atom Qubit State via a GHZ Entangled State
Xiao, Xiao-Qi; Yao, Fengwei; Lin, Xiaochen; Gong, Lihua
2018-04-01
We proposed a physical protocol for the joint remote preparation of a single-atom qubit state via a three-atom entangled GHZ-type state previously shared by the two senders and one receiver. Only rotation operations of single-atom, which can be achieved though the resonant interaction between the two-level atom and the classical field, are required in the scheme. It shows that the splitting way of the classical information of the secret qubit not only determines the success of reconstruction of the secret qubit, but also influences the operations of the senders.