Theoretical study of ionization and one-electron oxidation potentials of N-heterocyclic compounds.

Science.gov (United States)

Sviatenko, Liudmyla K; Gorb, Leonid; Hill, Frances C; Leszczynski, Jerzy

2013-05-15

A number of density functionals was utilized to predict gas-phase adiabatic ionization potentials (IPs) for nitrogen-rich heterocyclic compounds. Various solvation models were applied to the calculation of difference in free energies of solvation of oxidized and reduced forms of heterocyclic compounds in acetonitrile (AN) for correct reproduction of their standard oxidation potentials. We developed generally applicable protocols that could successfully predict the gas-phase adiabatic ionization potentials of nitrogen-rich heterocyclic compounds and their standard oxidation potentials in AN. This approach is supported by a MPW1K/6-31+G(d) level of theory which uses SMD(UA0) approximation for estimation of solvation energy of neutral molecules and PCM(UA0) model for ionized ones. The mean absolute derivation (MAD) and root mean square error (RMSE) of the current theoretical models for IP are equal to 0.22 V and 0.26, respectively, and for oxidation potentials MAD = 0.13 V and RMSE = 0.17. Copyright © 2013 Wiley Periodicals, Inc.

Resonant two-photon ionization and mass-analyzed threshold ionization spectroscopy of 3,5-difluorophenol

Science.gov (United States)

Peng, Wei Chih; Wu, Pei Ying; Tzeng, Shen Yuan; Tzeng, Wen Bih

2018-05-01

The first electronic transition and adiabatic ionization energies of 3,5-difluorophenol (35DFP) have been identified as 37614 cm-1 and 72468 cm-1, respectively. These energy values of 35DFP are marginally higher than those of other positional isomers of difluorophenols (25DFP, 34DFP, and 24DFP). The observed active vibrations are primarily due to the in-plane and out-of-plane ring deformation and substituent-sensitive bending motions in the electronically excited (S1) and cationic ground (D0) states.

Electron ionization and dissociation of aliphatic amino acids

Science.gov (United States)

Papp, P.; Shchukin, P.; Kočíšek, J.; Matejčík, Š.

2012-09-01

We present experimental and theoretical study of electron ionization and dissociative ionization to the gas phase amino acids valine, leucine, and isoleucine. A crossed electron/molecular beams technique equipped with quadrupole mass analyzer has been applied to measure mass spectra and ion efficiency curves for formation of particular ions. From experimental data the ionization energies of the molecules and the appearance energies of the fragment ions were determined. Ab initio calculations (Density Functional Theory and G3MP2 methods) were performed in order to calculate the fragmentation paths and interpret the experimental data. The experimental ionization energies of parent molecules [P]+ 8.91 ± 0.05, 8.85 ± 0.05, and 8.79 ± 0.05 eV and G3MP2 ionization energies (adiabatic) of 8.89, 8.88, and 8.81 eV were determined for valine, leucine, and isoleucine, respectively, as well as the experimental and theoretical threshold energies for dissociative ionization channels. The comparison of experimental data with calculations resulted in identification of the ions as well as the neutral fragments formed in the dissociative reactions. Around 15 mass/charge ratio fragments were identified from the mass spectra by comparison of experimental appearance energies with calculated reaction enthalpies for particular dissociative reactions.

Ionizing energy in food processing and pest control. 1. Wholesomeness of food treated with ionizing energy

International Nuclear Information System (INIS)

Wierbicki, Eugen

1986-01-01

Congressional concerns about the use of ionizing energy for food preservation and to control pests in food products for export and domestic use promoted the preparation of this report by a special task force of the Council for Agricultural Science and Technology (CAST). An overview surveys research conducted on the toxicological safety, nutritional quality, and microbiological safety of foods treated with ionizing energy. Background information is provided on various types of electromagnetic radiation, effects of ionizing energy level and dose, sources of natural background radiation and induced radioactivity, and the nature and safety of various radiolytic products. Objectives, methodologies, and problems associated with feeding studies of toxicological safety are outlined; results of scientific studies, U.S. government wholesomeness studies, and international feeding studies are summarized. Studies on the nutritional value of food products processed using ionized energy have examined the effects of ionizing energy on 1) composite diets, 2) carbohydrates, 3) fats, 4) proteins and amino acids, 5) vitamins (potatoes, onions, fruits, meat, seafood, cereals, vegetables, dairy products, oils), 6) antivitamins, and 7) minerals. The report concludes that currently available scientific evidence indicates that foods exposed to ionizing energy under the conditions proposed for commercial application are 1) wholesome (safe to eat) and 2) comparable in nutritional adequacy to fresh or conventionally processed foods

Endoergic chemi-ionization in N-O collisions

International Nuclear Information System (INIS)

Nielsen, S.E.; Dahler, J.S.

1979-01-01

A semiclassical theory of endoergic chemi-ionization is developed and applied to the ionizing events that occur when ground state oxygen atoms collide with nitrogen atoms in the ground and first excited states. The approach used is an adaptation and extension of earlier theories due to Bardsley, Nakamura, and Miller. The theory relates the experimental associative (AI) and Penning ionization (PI) cross sections to the following events: formation of a stable diatomic ion (AI), neutral and ionized atomic fragments (PI), or of a metastable diatomic rotational resonance (DI, delayed ionization). The heavy particle motions are treated classically in terms of adiabatic potential energy functions, while localized nonadiabatic transitions also are taken into account by using the Landau-Zener approximation. Finally, the theoretical predictions compare well with the results of Ringer and Gentry's (1978) merged beam experiments

Decoherence in adiabatic quantum computation

Science.gov (United States)

Albash, Tameem; Lidar, Daniel A.

2015-06-01

Recent experiments with increasingly larger numbers of qubits have sparked renewed interest in adiabatic quantum computation, and in particular quantum annealing. A central question that is repeatedly asked is whether quantum features of the evolution can survive over the long time scales used for quantum annealing relative to standard measures of the decoherence time. We reconsider the role of decoherence in adiabatic quantum computation and quantum annealing using the adiabatic quantum master-equation formalism. We restrict ourselves to the weak-coupling and singular-coupling limits, which correspond to decoherence in the energy eigenbasis and in the computational basis, respectively. We demonstrate that decoherence in the instantaneous energy eigenbasis does not necessarily detrimentally affect adiabatic quantum computation, and in particular that a short single-qubit T2 time need not imply adverse consequences for the success of the quantum adiabatic algorithm. We further demonstrate that boundary cancellation methods, designed to improve the fidelity of adiabatic quantum computing in the closed-system setting, remain beneficial in the open-system setting. To address the high computational cost of master-equation simulations, we also demonstrate that a quantum Monte Carlo algorithm that explicitly accounts for a thermal bosonic bath can be used to interpolate between classical and quantum annealing. Our study highlights and clarifies the significantly different role played by decoherence in the adiabatic and circuit models of quantum computing.

Quantum-mechanical study of ionization in slow collisions of antiprotons with hydrogen atoms

International Nuclear Information System (INIS)

Sakimoto, Kazuhiro

2004-01-01

The cross sections for the ionization p+H→p+p+e at low collision energies are computed with a complete quantum-mechanical method of time-dependent wave-packet propagation, which was applied to the protonium formation (→pp+e) by the present author [Phys. Rev. A 65, 012706 (2002)]. The ionization process shows very large cross sections even near threshold energy. An impact-parameter semiclassical method, in which the trajectory bending is taken into account by the introduction of the adiabatic potential, is also examined for the calculation of the ionization cross section. The semiclassical results are in good agreement with the quantum-mechanical results

Hierarchical theory of quantum adiabatic evolution

International Nuclear Information System (INIS)

Zhang, Qi; Wu, Biao; Gong, Jiangbin

2014-01-01

Quantum adiabatic evolution is a dynamical evolution of a quantum system under slow external driving. According to the quantum adiabatic theorem, no transitions occur between nondegenerate instantaneous energy eigenstates in such a dynamical evolution. However, this is true only when the driving rate is infinitesimally small. For a small nonzero driving rate, there are generally small transition probabilities between the energy eigenstates. We develop a classical mechanics framework to address the small deviations from the quantum adiabatic theorem order by order. A hierarchy of Hamiltonians is constructed iteratively with the zeroth-order Hamiltonian being determined by the original system Hamiltonian. The kth-order deviations are governed by a kth-order Hamiltonian, which depends on the time derivatives of the adiabatic parameters up to the kth-order. Two simple examples, the Landau–Zener model and a spin-1/2 particle in a rotating magnetic field, are used to illustrate our hierarchical theory. Our analysis also exposes a deep, previously unknown connection between classical adiabatic theory and quantum adiabatic theory. (paper)

Zero-point energy, tunnelling, and vibrational adiabaticity in the Mu + H2 reaction

Science.gov (United States)

Mielke, Steven L.; Garrett, Bruce C.; Fleming, Donald G.; Truhlar, Donald G.

2015-01-01

Isotopic substitution of muonium for hydrogen provides an unparalleled opportunity to deepen our understanding of quantum mass effects on chemical reactions. A recent topical review in this journal of the thermal and vibrationally state-selected reaction of Mu with H2 raises a number of issues that are addressed here. We show that some earlier quantum mechanical calculations of the Mu + H2 reaction, which are highlighted in this review, and which have been used to benchmark approximate methods, are in error by as much as 19% in the low-temperature limit. We demonstrate that an approximate treatment of the Born-Oppenheimer diagonal correction that was used in some recent studies is not valid for treating the vibrationally state-selected reaction. We also discuss why vibrationally adiabatic potentials that neglect bend zero-point energy are not a useful analytical tool for understanding reaction rates, and why vibrationally non-adiabatic transitions cannot be understood by considering tunnelling through vibrationally adiabatic potentials. Finally, we present calculations on a hierarchical family of potential energy surfaces to assess the sensitivity of rate constants to the quality of the potential surface.

Extending the random-phase approximation for electronic correlation energies: the renormalized adiabatic local density approximation

DEFF Research Database (Denmark)

Olsen, Thomas; Thygesen, Kristian S.

2012-01-01

The adiabatic connection fluctuation-dissipation theorem with the random phase approximation (RPA) has recently been applied with success to obtain correlation energies of a variety of chemical and solid state systems. The main merit of this approach is the improved description of dispersive forces...... while chemical bond strengths and absolute correlation energies are systematically underestimated. In this work we extend the RPA by including a parameter-free renormalized version of the adiabatic local-density (ALDA) exchange-correlation kernel. The renormalization consists of a (local) truncation...... of the ALDA kernel for wave vectors q > 2kF, which is found to yield excellent results for the homogeneous electron gas. In addition, the kernel significantly improves both the absolute correlation energies and atomization energies of small molecules over RPA and ALDA. The renormalization can...

Electronic energy transfer through non-adiabatic vibrational-electronic resonance. I. Theory for a dimer

Science.gov (United States)

Tiwari, Vivek; Peters, William K.; Jonas, David M.

2017-10-01

Non-adiabatic vibrational-electronic resonance in the excited electronic states of natural photosynthetic antennas drastically alters the adiabatic framework, in which electronic energy transfer has been conventionally studied, and suggests the possibility of exploiting non-adiabatic dynamics for directed energy transfer. Here, a generalized dimer model incorporates asymmetries between pigments, coupling to the environment, and the doubly excited state relevant for nonlinear spectroscopy. For this generalized dimer model, the vibrational tuning vector that drives energy transfer is derived and connected to decoherence between singly excited states. A correlation vector is connected to decoherence between the ground state and the doubly excited state. Optical decoherence between the ground and singly excited states involves linear combinations of the correlation and tuning vectors. Excitonic coupling modifies the tuning vector. The correlation and tuning vectors are not always orthogonal, and both can be asymmetric under pigment exchange, which affects energy transfer. For equal pigment vibrational frequencies, the nonadiabatic tuning vector becomes an anti-correlated delocalized linear combination of intramolecular vibrations of the two pigments, and the nonadiabatic energy transfer dynamics become separable. With exchange symmetry, the correlation and tuning vectors become delocalized intramolecular vibrations that are symmetric and antisymmetric under pigment exchange. Diabatic criteria for vibrational-excitonic resonance demonstrate that anti-correlated vibrations increase the range and speed of vibronically resonant energy transfer (the Golden Rule rate is a factor of 2 faster). A partial trace analysis shows that vibronic decoherence for a vibrational-excitonic resonance between two excitons is slower than their purely excitonic decoherence.

Adiabatic liquid piston compressed air energy storage

Energy Technology Data Exchange (ETDEWEB)

Petersen, Tage [Danish Technological Institute, Aarhus (Denmark); Elmegaard, B. [Technical Univ. of Denmark. DTU Mechanical Engineering, Kgs. Lyngby (Denmark); Schroeder Pedersen, A. [Technical Univ. of Denmark. DTU Energy Conversion, Risoe Campus, Roskilde (Denmark)

2013-01-15

This project investigates the potential of a Compressed Air Energy Storage system (CAES system). CAES systems are used to store mechanical energy in the form of compressed air. The systems use electricity to drive the compressor at times of low electricity demand with the purpose of converting the mechanical energy into electricity at times of high electricity demand. Two such systems are currently in operation; one in Germany (Huntorf) and one in the USA (Macintosh, Alabama). In both cases, an underground cavern is used as a pressure vessel for the storage of the compressed air. Both systems are in the range of 100 MW electrical power output with several hours of production stored as compressed air. In this range, enormous volumes are required, which make underground caverns the only economical way to design the pressure vessel. Both systems use axial turbine compressors to compress air when charging the system. The compression leads to a significant increase in temperature, and the heat generated is dumped into the ambient. This energy loss results in a low efficiency of the system, and when expanding the air, the expansion leads to a temperature drop reducing the mechanical output of the expansion turbines. To overcome this, fuel is burned to heat up the air prior to expansion. The fuel consumption causes a significant cost for the storage. Several suggestions have been made to store compression heat for later use during expansion and thereby avoid the use of fuel (so called Adiabatic CAES units), but no such units are in operation at present. The CAES system investigated in this project uses a different approach to avoid compression heat loss. The system uses a pre-compressed pressure vessel full of air. A liquid is pumped into the bottom of the vessel when charging and the same liquid is withdrawn through a turbine when discharging. In this case, the liquid works effectively as a piston compressing the gas in the vessel, hence the name ''Adiabatic

Multiphoton ionization processes in strong laser

International Nuclear Information System (INIS)

Krstic, P.

1982-01-01

Multiphoton ionization of hydrogen in ultrastrong laser fields is studied. The previous calculations of this process yield differing result for the transition rate. We show the relations between them and difficulties with each of them. One difficulty is that the finite spatial and time extent of the laser field has been omitted. It is also found that a laser field, which is sufficiently intense to be labeled ultrastrong, makes the electron move relativistically so that it becomes necessary to use Volkov states to describe the electron in the laser field. The transition rate is obtained, using a CO laser as an example, and it is found that the transition rate rises as the laser intensity rises. This is a consequence of the use of relativistic kinematics and is not true nonrelativistically. We also discuss the multiple peaks observed in the energy spectrum of electrons resulting from multiphoton ionization of atoms by lasers. When the laser intensity is large enough for the ponderomotive force to result in appreciable broading of the peaks we show the shape of the broadened peaks contains useful information. We show that the multiphoton ionization probability as a function of laser intensity can be obtained but that the free-free cross sections, which are in principle also obtainable, are probably not obtainable in practice. Finally, we describe the theory of the absorption of more than minimum numbers of photons needed to ionize an atom by an intense laser. The basic approximation used is that the atom is adiabatically deformed by the laser and an impulsive interaction then results in multiphoton absorption. In our first calculation we allow only one resonant excited state to be included in the adiabatic deformation. In our second we also allow the lowest energy continuum to be included. The two results are then compared

Adiabatic logic future trend and system level perspective

CERN Document Server

Teichmann, Philip

2012-01-01

Adiabatic logic is a potential successor for static CMOS circuit design when it comes to ultra-low-power energy consumption. Future development like the evolutionary shrinking of the minimum feature size as well as revolutionary novel transistor concepts will change the gate level savings gained by adiabatic logic. In addition, the impact of worsening degradation effects has to be considered in the design of adiabatic circuits. The impact of the technology trends on the figures of merit of adiabatic logic, energy saving potential and optimum operating frequency, are investigated, as well as degradation related issues. Adiabatic logic benefits from future devices, is not susceptible to Hot Carrier Injection, and shows less impact of Bias Temperature Instability than static CMOS circuits. Major interest also lies on the efficient generation of the applied power-clock signal. This oscillating power supply can be used to save energy in short idle times by disconnecting circuits. An efficient way to generate the p...

Generalized shortcuts to adiabaticity and enhanced robustness against decoherence

Science.gov (United States)

Santos, Alan C.; Sarandy, Marcelo S.

2018-01-01

Shortcuts to adiabaticity provide a general approach to mimic adiabatic quantum processes via arbitrarily fast evolutions in Hilbert space. For these counter-diabatic evolutions, higher speed comes at higher energy cost. Here, the counter-diabatic theory is employed as a minimal energy demanding scheme for speeding up adiabatic tasks. As a by-product, we show that this approach can be used to obtain infinite classes of transitionless models, including time-independent Hamiltonians under certain conditions over the eigenstates of the original Hamiltonian. We apply these results to investigate shortcuts to adiabaticity in decohering environments by introducing the requirement of a fixed energy resource. In this scenario, we show that generalized transitionless evolutions can be more robust against decoherence than their adiabatic counterparts. We illustrate this enhanced robustness both for the Landau-Zener model and for quantum gate Hamiltonians.

Ionizing Energy Depositions After Fast Neutron Interactions in Silicon

CERN Document Server

Bergmann, Benedikt; Caicedo, Ivan; Kierstead, James; Takai, Helio; Frojdh, Erik

2016-01-01

In this study we present the ionizing energy depositions in a 300 μm thick silicon layer after fast neutron impact. With the Time-of-Flight (ToF) technique, the ionizing energy deposition spectra of recoil silicons and secondary charged particles were assigned to (quasi-)monoenergetic neutron energies in the range from 180 keV to hundreds of MeV. We show and interpret representative measured energy spectra. By separating the ionizing energy losses of the recoil silicon from energy depositions by products of nuclear reactions, the competition of ionizing (IEL) and non-ionizing energy losses (NIEL) of a recoil silicon within the silicon lattice was investigated. The data give supplementary information to the results of a previous measurement and are compared with different theoretical predictions.

Studies in Chaotic adiabatic dynamics

International Nuclear Information System (INIS)

Jarzynski, C.

1994-01-01

Chaotic adiabatic dynamics refers to the study of systems exhibiting chaotic evolution under slowly time-dependent equations of motion. In this dissertation the author restricts his attention to Hamiltonian chaotic adiabatic systems. The results presented are organized around a central theme, namely, that the energies of such systems evolve diffusively. He begins with a general analysis, in which he motivates and derives a Fokker-Planck equation governing this process of energy diffusion. He applies this equation to study the open-quotes goodnessclose quotes of an adiabatic invariant associated with chaotic motion. This formalism is then applied to two specific examples. The first is that of a gas of noninteracting point particles inside a hard container that deforms slowly with time. Both the two- and three-dimensional cases are considered. The results are discussed in the context of the Wall Formula for one-body dissipation in nuclear physics, and it is shown that such a gas approaches, asymptotically with time, an exponential velocity distribution. The second example involves the Fermi mechanism for the acceleration of cosmic rays. Explicit evolution equations are obtained for the distribution of cosmic ray energies within this model, and the steady-state energy distribution that arises when this equation is modified to account for the injection and removal of cosmic rays is discussed. Finally, the author re-examines the multiple-time-scale approach as applied to the study of phase space evolution under a chaotic adiabatic Hamiltonian. This leads to a more rigorous derivation of the above-mentioned Fokker-Planck equation, and also to a new term which has relevance to the problem of chaotic adiabatic reaction forces (the forces acting on slow, heavy degrees of freedom due to their coupling to light, fast chaotic degrees)

Ionizing energy treatment of poultry

International Nuclear Information System (INIS)

Mulder, R.W.A.W.

1983-01-01

The application of an ionizing energy treatment to poultry carcasses results in a decrease of the number of potentially pathogenic microorganisms, e.g. Salmonellae. At the same time the refrigerated shelf life of treated poultry products is considerably increased. To achieve these beneficial effects doses ranging from 2.00 to 9.00 kGy are needed, but in poultry doses over 5.00 kGy may cause undesirable side-effects. To asses the microbiological quality of ionizing radiation treated end-products adequate isolation methods should be used to include all sublethally injured microorganisms in the colony counts. The assessment of the required lethality of an ionizing energy treatment is difficult as D 10 (decimal reduction) - values depend greatly on several parameters

Charge transfer and ionization in collisions of Si3+ with H from low to high energy

Science.gov (United States)

Wang, J. G.; He, B.; Ning, Y.; Liu, C. L.; Yan, J.; Stancil, P. C.; Schultz, D. R.

2006-11-01

Charge transfer processes due to collisions of ground state Si3+(3sS1) ions with atomic hydrogen are investigated using the quantum-mechanical molecular-orbital close-coupling (MOCC) and classical-trajectory Monte Carlo (CTMC) methods. The MOCC calculations utilize ab initio adiabatic potentials and nonadiabatic radial coupling matrix elements obtained from Herrero [J. Phys. B 29, 5583 (1996)] which were calculated with a full configuration-interaction method. Total and state-selective single-electron capture cross sections are obtained for collision energies from 0.01eV/u to 1MeV/u . Total and state-selective rate coefficients are also presented for temperatures from 2×103K to 107K . Comparison with existing data reveals that the total CTMC cross sections are in good agreement with the experimental measurements at the higher considered energies and that previous Landau-Zener calculations underestimate the total rate coefficients by a factor of up to two. The CTMC calculations of target ionization are presented for high energies.

Hole dynamics and spin currents after ionization in strong circularly polarized laser fields

International Nuclear Information System (INIS)

Barth, Ingo; Smirnova, Olga

2014-01-01

We apply the time-dependent analytical R-matrix theory to develop a movie of hole motion in a Kr atom upon ionization by strong circularly polarized field. We find rich hole dynamics, ranging from rotation to swinging motion. The motion of the hole depends on the final energy and the spin of the photoelectron and can be controlled by the laser frequency and intensity. Crucially, hole rotation is a purely non-adiabatic effect, completely missing in the framework of quasistatic (adiabatic) tunneling theories. We explore the possibility to use hole rotation as a clock for measuring ionization time. Analyzing the relationship between the relative phases in different ionization channels we show that in the case of short-range electron-core interaction the hole is always initially aligned along the instantaneous direction of the laser field, signifying zero delays in ionization. Finally, we show that strong-field ionization in circular fields creates spin currents (i.e. different flow of spin-up and spin-down density in space) in the ions. This phenomenon is intimately related to the production of spin-polarized electrons in strong laser fields Barth and Smirnova (2013 Phys. Rev. A 88 013401). We demonstrate that rich spin dynamics of electrons and holes produced during strong field ionization can occur in typical experimental conditions and does not require relativistic intensities or strong magnetic fields. (paper)

Assessment of hydrogen bonding effect on ionization of water from ambient to supercritical region–MD simulation approach

International Nuclear Information System (INIS)

Swiatla-Wojcik, D.; Mozumder, A.

2014-01-01

We present a novel, molecular dynamics (MD) simulation based, strategy to analyze how the degree of hydrogen bonding may influence the ionization and dissociation of water upon heating from ambient to supercritical temperatures. Calculations show a negligible change in the ionization energy up to 200 °C. At higher temperatures the ionization energy increases due to the decreasing degree of hydrogen bonding. The influence of density (pressure) is pronounced in the supercritical region. The ionization is more energy consuming in the less dense fluid. We also show that high temperature and low density may promote dissociation of the electronically excited water molecules. Implications on the initial radiation chemical yields of the hydrated electron, hydrogen atom and hydroxyl radical are discussed. - Highlights: • Up to 200 °C changes in the vertical and adiabatic ionization potentials are negligible. • At higher temperatures ionization is more energy consuming. • Ionization potential increases with decreasing density of supercritical water. • High temperature and low density promote dissociation of the excited molecules

Determination of ionization energies of small silicon clusters with vacuum?ultraviolet (VUV) radiation

Energy Technology Data Exchange (ETDEWEB)

Kostko, Oleg; Leone, Stephen R.; Duncan, Michael A.; Ahmed, Musahid

2009-09-23

In this work we report on single photon vacuum ultraviolet photoionization of small silicon clusters (n=1-7) produced via laser ablation of Si. The adiabatic ionization energies (AIE) are extracted from experimental photoionization efficiency (PIE) curves with the help of Frank?Condon simulations, used to interpret the shape and onset of the PIE curves. The obtained AIEs are (all energies are in eV): Si (8.13+-0.05), Si2 (7.92+-0.05), Si3 (8.12+-0.05), Si4 (8.2+-0.1), Si5 (7.96+-0.07), Si6 (7.8+-0.1), and Si7 (7.8+-0.1). Most of the experimental AIE values are in good agreement with ab initio electronic structure calculations. To explain observed deviations between the experimental and theoretical AIEs for Si4 and Si6, a theoretical search of different isomers of these species is performed. Electronic structure calculations aid in the interpretation of the a2PIu state of Si2+ dimer in the PIE spectrum. Time dependent density functional theory (TD-DFT) calculations are performed to reveal the energies of electronically excited states in the cations for a number of Si clusters.

Adiabatic potential-energy curves of long-range Rydberg molecules: Two-electron R -matrix approach

Czech Academy of Sciences Publication Activity Database

Tarana, Michal; Čurík, Roman

2016-01-01

Roč. 93, č. 1 (2016), 012515 ISSN 0556-2791 R&D Projects: GA ČR(CZ) GP14-15989P Institutional support: RVO:61388955 Keywords : adiabatic-potential- energy curves * Rydberg molecules * theoretical chemistry Subject RIV: CF - Physical ; Theoretical Chemistry

Adiabatic potential-energy curves of long-range Rydberg molecules: Two-electron R -matrix approach

Czech Academy of Sciences Publication Activity Database

Tarana, Michal; Čurík, Roman

2016-01-01

Roč. 93, č. 1 (2016), 012515 ISSN 0556-2791 R&D Projects: GA ČR(CZ) GP14-15989P Institutional support: RVO:61388955 Keywords : adiabatic-potential-energy curves * Rydberg molecules * theoretical chemistry Subject RIV: CF - Physical ; Theoretical Chemistry

Non-adiabatic perturbations in multi-component perfect fluids

Energy Technology Data Exchange (ETDEWEB)

Koshelev, N.A., E-mail: koshna71@inbox.ru [Ulyanovsk State University, Leo Tolstoy str 42, 432970 (Russian Federation)

2011-04-01

The evolution of non-adiabatic perturbations in models with multiple coupled perfect fluids with non-adiabatic sound speed is considered. Instead of splitting the entropy perturbation into relative and intrinsic parts, we introduce a set of symmetric quantities, which also govern the non-adiabatic pressure perturbation in models with energy transfer. We write the gauge invariant equations for the variables that determine on a large scale the non-adiabatic pressure perturbation and the rate of changes of the comoving curvature perturbation. The analysis of evolution of the non-adiabatic pressure perturbation has been made for several particular models.

Non-adiabatic perturbations in multi-component perfect fluids

International Nuclear Information System (INIS)

Koshelev, N.A.

2011-01-01

The evolution of non-adiabatic perturbations in models with multiple coupled perfect fluids with non-adiabatic sound speed is considered. Instead of splitting the entropy perturbation into relative and intrinsic parts, we introduce a set of symmetric quantities, which also govern the non-adiabatic pressure perturbation in models with energy transfer. We write the gauge invariant equations for the variables that determine on a large scale the non-adiabatic pressure perturbation and the rate of changes of the comoving curvature perturbation. The analysis of evolution of the non-adiabatic pressure perturbation has been made for several particular models

Non-adiabatic rotational excitation of dipolar molecule under the ...

Indian Academy of Sciences (India)

J. Chem. Sci. Vol. 125, No. 5, September 2013, pp. 1213–1221. c Indian Academy of Sciences. ... The rotational wave packets of LiCl molecule excited non-adiabatically by half cycle pulse. (HCP) is .... pared to the intensities required for the ionization of ..... out and with delayed ultrashort HCP at different initial pulse dura-.

Energy and entropy analysis of closed adiabatic expansion based trilateral cycles

International Nuclear Information System (INIS)

Garcia, Ramon Ferreiro; Carril, Jose Carbia; Gomez, Javier Romero; Gomez, Manuel Romero

2016-01-01

Highlights: • The adiabatic expansion based TC surpass Carnot factor at low temperatures. • The fact of surpassing Carnot factor doesn’t violate the 2nd law. • An entropy analysis is applied to verify the fulfilment of the second law. • Correction of the exergy transfer associated with heat transferred to a cycle. - Abstract: A vast amount of heat energy is available at low cost within the range of medium and low temperatures. Existing thermal cycles cannot make efficient use of such available low grade heat because they are mainly based on conventional organic Rankine cycles which are limited by Carnot constraints. However, recent developments related to the performance of thermal cycles composed of closed processes have led to the exceeding of the Carnot factor. Consequently, once the viability of closed process based thermal cycles that surpass the Carnot factor operating at low and medium temperatures is globally accepted, research work will aim at looking into the consequences that lead from surpassing the Carnot factor while fulfilling the 2nd law, its impact on the 2nd law efficiency definition as well as the impact on the exergy transfer from thermal power sources to any heat consumer, including thermal cycles. The methodology used to meet the proposed objectives involves the analysis of energy and entropy on trilateral closed process based thermal cycles. Thus, such energy and entropy analysis is carried out upon non-condensing mode trilateral thermal cycles (TCs) characterised by the conversion of low grade heat into mechanical work undergoing closed adiabatic path functions: isochoric heat absorption, adiabatic heat to mechanical work conversion and isobaric heat rejection. Firstly, cycle energy analysis is performed to determine the range of some relevant cycle parameters, such as the operating temperatures and their associated pressures, entropies, internal energies and specific volumes. In this way, the ranges of temperatures within which

Multiphoton atomic ionization in the field of a very short laser pulse

International Nuclear Information System (INIS)

Popov, V.S.

2001-01-01

Closed analytic expressions are derived for the probability of multiphoton atomic and ionic ionization in a variable electric field E(t), which are applicable for arbitrary Keldysh parameters γ. Dependencies of the ionization probability and photoelectron pulse spectrum on the shape of a very short laser pulse are analyzed. Examples of pulse fields of various forms, including a modulated light pulse with a Gaussian or Lorentz envelope, are considered in detail. The interference effect in the photoelectron energy spectrum during atomic ionization by a periodic field of a general form is examined. The range of applicability of the adiabatic approximation in the multiphoton ionization theory is discussed. The imaginary time method is used in the calculations, which allows the probability of particle tunneling through oscillating barriers to be effectively calculated

Ionization photophysics and spectroscopy of cyanoacetylene

International Nuclear Information System (INIS)

Leach, Sydney; Champion, Norbert; Garcia, Gustavo A.; Fray, Nicolas; Gaie-Levrel, François; Mahjoub, Ahmed; Bénilan, Yves; Gazeau, Marie-Claire; Schwell, Martin

2014-01-01

Photoionization of cyanoacetylene was studied using synchrotron radiation over the non-dissociative ionization excitation range 11–15.6 eV, with photoelectron-photoion coincidence techniques. The absolute ionization cross-section and spectroscopic aspects of the parent ion were recorded. The adiabatic ionization energy of cyanoacetylene was measured as 11.573 ± 0.010 eV. A detailed analysis of photoelectron spectra of HC 3 N involves new aspects and new assignments of the vibrational components to excitation of the A 2 Σ + and B 2 Π states of the cation. Some of the structured autoionization features observed in the 11.94 to 15.5 eV region of the total ion yield (TIY) spectrum were assigned to two Rydberg series converging to the B 2 Π state of HC 3 N + . A number of the measured TIY features are suggested to be vibrational components of Rydberg series converging to the C 2 Σ + state of HC 3 N + at ≈17.6 eV and others to valence shell transitions of cyanoacetylene in the 11.6–15 eV region. The results of quantum chemical calculations of the cation electronic state geometries, vibrational frequencies and energies, as well as of the C–H dissociation potential energy profiles of the ground and electronic excited states of the ion, are compared with experimental observations. Ionization quantum yields are evaluated and discussed and the problem of adequate calibration of photoionization cross-sections is raised

Charge transfer and ionization in collisions of Si3+ with H from low to high energy

International Nuclear Information System (INIS)

Wang, J. G.; He, B.; Ning, Y.; Liu, C. L.; Yan, J.; Stancil, P. C.; Schultz, D. R.

2006-01-01

Charge transfer processes due to collisions of ground state Si 3+ (3s 1 S) ions with atomic hydrogen are investigated using the quantum-mechanical molecular-orbital close-coupling (MOCC) and classical-trajectory Monte Carlo (CTMC) methods. The MOCC calculations utilize ab initio adiabatic potentials and nonadiabatic radial coupling matrix elements obtained from Herrero et al. [J. Phys. B 29, 5583 (1996)] which were calculated with a full configuration-interaction method. Total and state-selective single-electron capture cross sections are obtained for collision energies from 0.01 eV/u to 1 MeV/u. Total and state-selective rate coefficients are also presented for temperatures from 2x10 3 K to 10 7 K. Comparison with existing data reveals that the total CTMC cross sections are in good agreement with the experimental measurements at the higher considered energies and that previous Landau-Zener calculations underestimate the total rate coefficients by a factor of up to two. The CTMC calculations of target ionization are presented for high energies

Thermodynamic Analysis of Three Compressed Air Energy Storage Systems: Conventional, Adiabatic, and Hydrogen-Fueled

Directory of Open Access Journals (Sweden)

Hossein Safaei

2017-07-01

Full Text Available We present analyses of three families of compressed air energy storage (CAES systems: conventional CAES, in which the heat released during air compression is not stored and natural gas is combusted to provide heat during discharge; adiabatic CAES, in which the compression heat is stored; and CAES in which the compression heat is used to assist water electrolysis for hydrogen storage. The latter two methods involve no fossil fuel combustion. We modeled both a low-temperature and a high-temperature electrolysis process for hydrogen production. Adiabatic CAES (A-CAES with physical storage of heat is the most efficient option with an exergy efficiency of 69.5% for energy storage. The exergy efficiency of the conventional CAES system is estimated to be 54.3%. Both high-temperature and low-temperature electrolysis CAES systems result in similar exergy efficiencies (35.6% and 34.2%, partly due to low efficiency of the electrolyzer cell. CAES with high-temperature electrolysis has the highest energy storage density (7.9 kWh per m3 of air storage volume, followed by A-CAES (5.2 kWh/m3. Conventional CAES and CAES with low-temperature electrolysis have similar energy densities of 3.1 kWh/m3.

Quantum entangling power of adiabatically connected Hamiltonians

International Nuclear Information System (INIS)

Hamma, Alioscia; Zanardi, Paolo

2004-01-01

The space of quantum Hamiltonians has a natural partition in classes of operators that can be adiabatically deformed into each other. We consider parametric families of Hamiltonians acting on a bipartite quantum state space. When the different Hamiltonians in the family fall in the same adiabatic class, one can manipulate entanglement by moving through energy eigenstates corresponding to different values of the control parameters. We introduce an associated notion of adiabatic entangling power. This novel measure is analyzed for general dxd quantum systems, and specific two-qubit examples are studied

Exergy analysis of an adiabatic compressed air energy storage system using a cascade of phase change materials

International Nuclear Information System (INIS)

Tessier, Michael J.; Floros, Michael C.; Bouzidi, Laziz; Narine, Suresh S.

2016-01-01

Adiabatic compressed air energy storage is an emerging energy storage technology with excellent power and storage capacities. Currently, efficiencies are approximately 70%, in part due to the issue of heat loss during the compression stage. An exergy analysis is presented on a novel adiabatic compressed air energy storage system design utilizing a cascade of PCMs (phase change materials) for waste heat storage and recovery. The melting temperatures and enthalpies of the PCMs were optimized for this system and were shown to be dependent on the number of PCMs, the number of compression stages, and the maximum compression ratio. Efficiencies of storage and recovery using this approach are predicted to be as high as 85%, a 15% increase over current designs which do not incorporate PCMs. - Highlights: • A compressed air energy storage plant using phase change materials is proposed. • Increasing number of phase change materials increases roundtrip exergy efficiency. • A thermodynamic model allows melting points and latent heats required to be predicted.

Study on the ionization of 1sσ molecular orbital in slow asymmetric collisions

International Nuclear Information System (INIS)

Sigaud, G.M.

1985-01-01

A model, based on the adiabatic perturbation theory, is proposed to the ionization of the 1sσ molecular orbital in slow asymmetric collisions. The extension of the model to less adiabatic collisions is made by imposing an asymptotic matching with the semiclassical approximation. The transient molecular state wavefunction is evaluated using an effective charge, which is dependent on the internuclear separation distance, for the projectile-target-atom-system. This procedure simulates both the screening due to the external electrons and the modifications on the electronic wavefunction due to the nuclei relative motion. The direct Coulomb ionization cross-section of the 1sσ molecular orbital is calculated for projectiles following hyperbolic paths in terms of this effective charge. At the same time, X-rays production cross-sections for the K-shell of thick targets of Ti and Fe are determined for incident beams of D, He, C, N and O, with energy range between 0,20 and 4,00 MeV. The comparison between the proposed model and the obtained experimental data shows that, for this energy range, two other processes, besides direct ionization, contribute to X-rays production. These processes, namely the recoil of the target-atom in its matrix and the electron capture by the projectile, are discussed in the light of theoretical models existent in the literature. (author)

Adiabatic transfer of energy fluctuations between membranes inside an optical cavity

Science.gov (United States)

Garg, Devender; Chauhan, Anil K.; Biswas, Asoka

2017-08-01

A scheme is presented for the adiabatic transfer of average fluctuations in the phonon number between two membranes in an optical cavity. We show that by driving the cavity modes with external time-delayed pulses, one can obtain an effect analogous to stimulated Raman adiabatic passage in the atomic systems. The adiabatic transfer of fluctuations from one membrane to the other is attained through a "dark" mode, which is robust against decay of the mediating cavity mode. The results are supported with analytical and numerical calculations with experimentally feasible parameters.

Quantum adiabatic Markovian master equations

International Nuclear Information System (INIS)

Albash, Tameem; Zanardi, Paolo; Boixo, Sergio; Lidar, Daniel A

2012-01-01

We develop from first principles Markovian master equations suited for studying the time evolution of a system evolving adiabatically while coupled weakly to a thermal bath. We derive two sets of equations in the adiabatic limit, one using the rotating wave (secular) approximation that results in a master equation in Lindblad form, the other without the rotating wave approximation but not in Lindblad form. The two equations make markedly different predictions depending on whether or not the Lamb shift is included. Our analysis keeps track of the various time and energy scales associated with the various approximations we make, and thus allows for a systematic inclusion of higher order corrections, in particular beyond the adiabatic limit. We use our formalism to study the evolution of an Ising spin chain in a transverse field and coupled to a thermal bosonic bath, for which we identify four distinct evolution phases. While we do not expect this to be a generic feature, in one of these phases dissipation acts to increase the fidelity of the system state relative to the adiabatic ground state. (paper)

Ionization photophysics and spectroscopy of dicyanoacetylene

International Nuclear Information System (INIS)

Leach, Sydney; Champion, Norbert; Schwell, Martin; Bénilan, Yves; Fray, Nicolas; Gazeau, Marie-Claire; Garcia, Gustavo A.; Gaie-Levrel, François; Guillemin, Jean-Claude

2013-01-01

Photoionization of dicyanoacetylene was studied using synchrotron radiation over the excitation range 8–25 eV, with photoelectron-photoion coincidence techniques. The absolute ionization cross-section and detailed spectroscopic aspects of the parent ion were recorded. The adiabatic ionization energy of dicyanoacetylene was measured as 11.80 ± 0.01 eV. A detailed analysis of the cation spectroscopy involves new aspects and new assignments of the vibrational components to excitation of the quasi-degenerate A 2 Π g , B 2 Σ g + states as well as the C 2 Σ u + and D 2 Π u states of the cation. Some of the structured autoionization features observed in the 12.4–15 eV region of the total ion yield spectrum were assigned to vibrational components of valence shell transitions and to two previously unknown Rydberg series converging to the D 2 Π u state of C 4 N 2 + . The appearance energies of the fragment ions C 4 N + , C 3 N + , C 4 + , C 2 N + , and C 2 + were measured and their heats of formation were determined and compared with existing literature values. Thermochemical calculations of the appearance potentials of these and other weaker ions were used to infer aspects of dissociative ionization pathways

Ionization photophysics and spectroscopy of cyanoacetylene

Energy Technology Data Exchange (ETDEWEB)

Leach, Sydney; Champion, Norbert [LERMA UMR CNRS 8112, Observatoire de Paris-Meudon, 5 place Jules-Jansen, 92195 Meudon (France); Garcia, Gustavo A.; Fray, Nicolas; Gaie-Levrel, François [Synchrotron SOLEIL, L’Orme des Merisiers, St. Aubin, B.P. 48, 91192, Gif-sur-Yvette Cedex (France); Mahjoub, Ahmed; Bénilan, Yves; Gazeau, Marie-Claire; Schwell, Martin [LISA UMR CNRS 7583, Université Paris Est Créteil and Université Paris Diderot, Institut Pierre Simon Laplace, 61 Avenue du Général de Gaulle, 94010 Créteil (France)

2014-05-07

Photoionization of cyanoacetylene was studied using synchrotron radiation over the non-dissociative ionization excitation range 11–15.6 eV, with photoelectron-photoion coincidence techniques. The absolute ionization cross-section and spectroscopic aspects of the parent ion were recorded. The adiabatic ionization energy of cyanoacetylene was measured as 11.573 ± 0.010 eV. A detailed analysis of photoelectron spectra of HC{sub 3}N involves new aspects and new assignments of the vibrational components to excitation of the A{sup 2}Σ{sup +} and B{sup 2}Π states of the cation. Some of the structured autoionization features observed in the 11.94 to 15.5 eV region of the total ion yield (TIY) spectrum were assigned to two Rydberg series converging to the B{sup 2}Π state of HC{sub 3}N{sup +}. A number of the measured TIY features are suggested to be vibrational components of Rydberg series converging to the C{sup 2}Σ{sup +} state of HC{sub 3}N{sup +} at ≈17.6 eV and others to valence shell transitions of cyanoacetylene in the 11.6–15 eV region. The results of quantum chemical calculations of the cation electronic state geometries, vibrational frequencies and energies, as well as of the C–H dissociation potential energy profiles of the ground and electronic excited states of the ion, are compared with experimental observations. Ionization quantum yields are evaluated and discussed and the problem of adequate calibration of photoionization cross-sections is raised.

Simple Closed-Form Expression for Penning Reaction Rate Coefficients for Cold Molecular Collisions by Non-Hermitian Time-Independent Adiabatic Scattering Theory.

Science.gov (United States)

Pawlak, Mariusz; Ben-Asher, Anael; Moiseyev, Nimrod

2018-01-09

We present a simple expression and its derivation for reaction rate coefficients for cold anisotropic collision experiments based on adiabatic variational theory and time-independent non-Hermitian scattering theory. We demonstrate that only the eigenenergies of the resulting one-dimensional Schrödinger equation for different complex adiabats are required. The expression is applied to calculate the Penning ionization rate coefficients of an excited metastable helium atom with molecular hydrogen in an energy range spanning from hundreds of kelvins down to the millikelvin regime. Except for trivial quantities like the masses of the nuclei and the bond length of the diatomic molecule participating in the collision, one needs as input data only the complex potential energy surface (CPES). In calculations, we used recently obtained ab initio CPES by D. Bhattacharya et al. ( J. Chem. Theory Comput. 2017 , 13 , 1682 - 1690 ) without fitting parameters. The results show good accord with current measurements ( Nat. Phys. 2017 , 13 , 35 - 38 ).

To the calculation of energy resolution of ionization calorimeter

International Nuclear Information System (INIS)

Uchajkin, V.V.; Lagutin, A.A.

1976-01-01

The question of energy resolution of the ionization calorimeter is considered analytically. A method is discussed for calculating the probability characteristics (mean value and dispersion) of energy losses of an electron-photon shower by ionization in the calorimeter volume

Ionization energies of Xe2+ and Xe3+

International Nuclear Information System (INIS)

Dutil, R.; Marmet, P.

1980-01-01

New electron impact measurements show that the previously accepted energies of ionization of Xe 2+ and Xe 3+ from xenon are erroneous. These energies are determined 33.11 +- 0.04 eV for Xe 2+ and 64.35 +- 0.10 eV for Xe 3+ . New structures are seen by electron impact just above the Xe 2+ threshold. New information is also given on the ionization energies of Xe 4+ and Xe 5+ . (orig.)

Positron impact ionization of atomic hydrogen at low energies

Indian Academy of Sciences (India)

The study of low energy ionization of atomic hydrogen has undergone a rapid ... Three distinct theories for describing low energy ionization can now .... clear evidence that the backward peak for ΘЅѕ = 180° is due to positron-nucleus scat-.

Improving the positive feedback adiabatic logic familiy

Directory of Open Access Journals (Sweden)

J. Fischer

2004-01-01

Full Text Available Positive Feedback Adiabatic Logic (PFAL shows the lowest energy dissipation among adiabatic logic families based on cross-coupled transistors, due to the reduction of both adiabatic and non-adiabatic losses. The dissipation primarily depends on the resistance of the charging path, which consists of a single p-channel MOSFET during the recovery phase. In this paper, a new logic family called Improved PFAL (IPFAL is proposed, where all n- and pchannel devices are swapped so that the charge can be recovered through an n-channel MOSFET. This allows to decrease the resistance of the charging path up to a factor of 2, and it enables a significant reduction of the energy dissipation. Simulations based on a 0.13µm CMOS process confirm the improvements in terms of power consumption over a large frequency range. However, the same simple design rule, which enables in PFAL an additional reduction of the dissipation by optimal transistor sizing, does not apply to IPFAL. Therefore, the influence of several sources of dissipation for a generic IPFAL gate is illustrated and discussed, in order to lower the power consumption and achieve better performance.

Smooth transition from sudden to adiabatic states in heavy-ion fusion reactions at deep-subbarrier incident energies

International Nuclear Information System (INIS)

Takatoshi, Ichikawa; Kouichi, Hagino; Akira, Iwamoto

2011-01-01

We propose a novel extension of the standard coupled-channel (CC) model in order to account for the steep falloff of fusion cross sections at deep-subbarrier incident energies. We introduce a damping factor in the coupling potential in the CC model, simulating smooth transitions from sudden to adiabatic states in deep- subbarrier fusion reactions. The CC model extended with the damping factor can reproduce well not only the steep falloff of the fusion cross section but also the saturation of the logarithmic derivatives for the fusion cross sections at deep-subbarrier energies for the 16 O+ 208 Pb, 64 Ni+ 64 Ni, and 58 Ni+ 58 Ni reactions at the deep-subbarrier energies. The important point in our model is that the transition takes place at different places for each Eigen channel. We conclude that the smooth transition from the two-body to the adiabatic one-body potential is responsible for the steep falloff of the fusion cross section

Excitation energies from Görling-Levy perturbation theory along the range-separated adiabatic connection

Science.gov (United States)

Rebolini, Elisa; Teale, Andrew M.; Helgaker, Trygve; Savin, Andreas; Toulouse, Julien

2018-06-01

A Görling-Levy (GL)-based perturbation theory along the range-separated adiabatic connection is assessed for the calculation of electronic excitation energies. In comparison with the Rayleigh-Schrödinger (RS)-based perturbation theory this GL-based perturbation theory keeps the ground-state density constant at each order and thus gives the correct ionisation energy at each order. Excitation energies up to first order in the perturbation have been calculated numerically for the helium and beryllium atoms and the hydrogen molecule without introducing any density-functional approximations. In comparison with the RS-based perturbation theory, the present GL-based perturbation theory gives much more accurate excitation energies for Rydberg states but similar excitation energies for valence states.

Pulsed adiabatic structure and complete population transfer

International Nuclear Information System (INIS)

Shore, B.W.

1992-10-01

Population can be transferred between atomic or molecular energy states in a variety of ways. The basic idea of adiabatic transfer, discussed in many textbooks, is as follows. One begins with an atom that is in some single energy state (an eigenstate of an initial Hamiltonian). This energy state is one of many possible states, known variously as the unperturbed states or basis states or diabatic states. Next one begins to change the Hamiltonian very slowly. The changes may occur in either the diagonal elements (the basis state energies) or in the off-diagonal elements (interactions between basis states). If there are off-diagonal elements then the Hamiltonian will no longer commute with the original one. Because the Hamiltonian is no longer the one that was used to define the original basis states, it will cause these states to become mixed. However, if the change is sufficiently slow, the system can remain in a single eigenstate of the changing Hamiltonian -- an adiabatic state, composed of a combination of basis states. Finally, at some later time, one examines the system once again in the original basis. One finds that the population has undergone a change, and now resides in a different unperturbed state. One has produced population transfer. There are many illustrative examples of adiabatic passage, both theory and experiment. The author mentions briefly two common examples, inelastic collisions between atoms, and the static Stark effect in Rydberg atoms, before continuing with the main objective, a discussion of adiabatic passage induced by laser pulses

Calculation of a hydrogen molecule in the adiabatic approximation

International Nuclear Information System (INIS)

Vukajlovich, F.R.; Mogilevskij, O.A.; Ponomarev, L.I.

1979-01-01

The adiabatic approximation js used for calculating the energy levels of a hydrogen molecule, i.e. of the simplest four-body system with a Coulomb interaction. The aim of this paper is the investigation of the possible use of the adiabatic method in the molecular problems. The most effective regions of its application are discussed. An infinite system of integro-differential equations is constructed, which describes the hydrogen molecule in the adiabatic approximation with the effective potentials taking into account the corrections to the nuclear motion. The energy of the first three vibrational states of the hydrogen molecule is calculated and compared with the experimental data. The convergence of the method is discussed

Design of ternary clocked adiabatic static random access memory

International Nuclear Information System (INIS)

Wang Pengjun; Mei Fengna

2011-01-01

Based on multi-valued logic, adiabatic circuits and the structure of ternary static random access memory (SRAM), a design scheme of a novel ternary clocked adiabatic SRAM is presented. The scheme adopts bootstrapped NMOS transistors, and an address decoder, a storage cell and a sense amplifier are charged and discharged in the adiabatic way, so the charges stored in the large switch capacitance of word lines, bit lines and the address decoder can be effectively restored to achieve energy recovery during reading and writing of ternary signals. The PSPICE simulation results indicate that the ternary clocked adiabatic SRAM has a correct logic function and low power consumption. Compared with ternary conventional SRAM, the average power consumption of the ternary adiabatic SRAM saves up to 68% in the same conditions. (semiconductor integrated circuits)

Design of ternary clocked adiabatic static random access memory

Science.gov (United States)

Pengjun, Wang; Fengna, Mei

2011-10-01

Based on multi-valued logic, adiabatic circuits and the structure of ternary static random access memory (SRAM), a design scheme of a novel ternary clocked adiabatic SRAM is presented. The scheme adopts bootstrapped NMOS transistors, and an address decoder, a storage cell and a sense amplifier are charged and discharged in the adiabatic way, so the charges stored in the large switch capacitance of word lines, bit lines and the address decoder can be effectively restored to achieve energy recovery during reading and writing of ternary signals. The PSPICE simulation results indicate that the ternary clocked adiabatic SRAM has a correct logic function and low power consumption. Compared with ternary conventional SRAM, the average power consumption of the ternary adiabatic SRAM saves up to 68% in the same conditions.

PHYSICS OF A PARTIALLY IONIZED GAS RELEVANT TO GALAXY FORMATION SIMULATIONS—THE IONIZATION POTENTIAL ENERGY RESERVOIR

International Nuclear Information System (INIS)

Vandenbroucke, B.; De Rijcke, S.; Schroyen, J.; Jachowicz, N.

2013-01-01

Simulation codes for galaxy formation and evolution take on board as many physical processes as possible beyond the standard gravitational and hydrodynamical physics. Most of this extra physics takes place below the resolution level of the simulations and is added in a ''sub-grid'' fashion. However, these sub-grid processes affect the macroscopic hydrodynamical properties of the gas and thus couple to the ''on-grid'' physics that is explicitly integrated during the simulation. In this paper, we focus on the link between partial ionization and the hydrodynamical equations. We show that the energy stored in ions and free electrons constitutes a potential energy term which breaks the linear dependence of the internal energy on temperature. Correctly taking into account ionization hence requires modifying both the equation of state and the energy-temperature relation. We implemented these changes in the cosmological simulation code GADGET2. As an example of the effects of these changes, we study the propagation of Sedov-Taylor shock waves through an ionizing medium. This serves as a proxy for the absorption of supernova feedback energy by the interstellar medium. Depending on the density and temperature of the surrounding gas, we find that up to 50% of the feedback energy is spent ionizing the gas rather than heating it. Thus, it can be expected that properly taking into account ionization effects in galaxy evolution simulations will drastically reduce the effects of thermal feedback. To the best of our knowledge, this potential energy term is not used in current simulations of galaxy formation and evolution.

Ionization of atoms by high energy photons

International Nuclear Information System (INIS)

Amusia, M.Y.; Ioffe, A.F.

1994-01-01

Photoionization of atoms by high energy photons is considered. It is emphasized that in this frequency region the cross section and other characteristics of the process are strongly effected by electron shell polarization and rearrangement effects, including that due to inner vacancy Auger decay. In the effects of nuclear structure could be important and noticeable, i.e. of virtual or real excitation of the nucleus degrees of freedom and of the Quantum Electrodynamics vacuum. Ionization accompanied by secondary photon emission (Compton ionization) is analyzed in the considered domain of energies

Performance analysis of a complete adiabatic logic system driven by the proposed power clock generator

International Nuclear Information System (INIS)

Kanungo, Jitendra; Dasgupta, S.

2014-01-01

We analyze the energy performance of a complete adiabatic circuit/system including the Power Clock Generator (PCG) at the 90 nm CMOS technology node. The energy performance in terms of the conversion efficiency of the PCG is extensively carried out under the variations of supply voltage, process corner and the driver transistor's width. We propose an energy-efficient singe cycle control circuit based on the two-stage comparator for the synchronous charge recovery sinusoidal power clock generator (PCG). The proposed PCG is used to drive the 4-bit adiabatic Ripple Carry Adder (RCA) and their simulation results are compared with the adiabatic RCA driven by the reported PCG. We have also simulated the logically equivalent static CMOS RCA circuit to compare the energy saving of adiabatic and non-adiabatic logic circuits. In the clock frequency range from 25 MHz to 1GHz, the proposed PCG gives a maximum conversion efficiency of 56.48%. This research work shows how the design of an efficient PCG increases the energy saving of adiabatic logic. (semiconductor integrated circuits)

Relativistic theory of tunnel and multiphoton ionization of atoms in a strong laser field

International Nuclear Information System (INIS)

Popov, V. S.; Karnakov, B. M.; Mur, V. D.; Pozdnyakov, S. G.

2006-01-01

Relativistic generalization is developed for the semiclassical theory of tunnel and multiphoton ionization of atoms and ions in the field of an intense electromagnetic wave (Keldysh theory). The cases of linear, circular, and elliptic polarizations of radiation are considered. For arbitrary values of the adiabaticity parameter γ, the exponential factor in the ionization rate for a relativistic bound state is calculated. For low-frequency laser radiation , an asymptotically exact formula for the tunnel ionization rate for the atomic s level is obtained including the Coulomb, spin, and adiabatic corrections and the preexponential factor. The ionization rate for the ground level of a hydrogen-like atom (ion) with Z ≤ 100 is calculated as a function of the laser radiation intensity. The range of applicability is determined for nonrelativistic ionization theory. The imaginary time method is used in the calculations

Comments on GUT monopole energy loss and ionization

International Nuclear Information System (INIS)

Hagstrom, R.

1982-01-01

A few comments about the likely behavior of the electromagnetic energy loss and ionization rates of super-slowly moving magnetic monopoles are presented. The questions of energy loss rates and ionization rates for super-low monopoles passing through matter are considered, concentrating on aspects of these issues which affect practical detection techniques. It is worthwhile here to emphasize that there is a potentially great distinction between energy loss rates and ionization rates and that the magnitude of this distinction is really the great issue which must be settled in order to understand the significance of experimental results from present and proposed investigations of the slow monopole question. Energy loss here means the total dE/dX of the projectile due to interactions with the electrons of the slowing medium. To the extent that nuclear collisions can be neglected, this so-called electronic energy loss is the relevant quantity in questions about whether monopoles stop within the earth's crust, whether they are slowed by interstellar plasmas, or the signal in a truly calorimetric measurement (measuring temperature rises along the trajectory), etc. Most of our successful detection techniques depend upon the promotion of ground state electrons into states which lie above some energy gap in the material of the detector: electrons must be knocked completely free from the gas atoms in a proportional chamber gas, electrons must be promoted to a higher band in solid scintillator plastics. These processes are generically identified as ionization

Collisional energy dependence of molecular ionization by metastable rare gas atoms

International Nuclear Information System (INIS)

Martin, R.M.; Parr, T.P.

1979-01-01

The collisional energy dependence of several molecular total ionization cross sections by metastable rare gas atoms was studied over the thermal energy region using the crossed molecular beam time-of-flight method. Results are reported for the collision systems He, Ne, and Ar ionizing the geometric isomers cis- and trans-dichloroethylene and ortho- and para-dichlorobenzene. The He ionization cross sections oscillate about an energy dependence of E/sup -1/2/ over the energy range 0.004--1.0 eV, and the Ar*+para-dichlorobenzene cross section oscillates about an energy dependence of E/sup -2/5/ over the energy range 0.011--0.64 eV. The remaining systems are characterized by ''bent'' E/sup -m/ dependences with m values of 0.56--0.70 at low energies changing to 0.07--0.29 at higher energies. Comparison with the slopes of the He* systems and the Ar*+para-dichlorobenzene system shows that the ''bent'' and ''oscillating'' energy dependences are similar except for the form of the cross section functions at the lowest energies. No systematic differences are found between the cross section energy dependences for ionization of different geometric isomers or for ionization by the different metastable rare gas atoms

Selected cis- and trans-3-fluorostyrene rotamers studied by two-color resonant two-photon mass-analyzed threshold ionization spectroscopy

Science.gov (United States)

Wu, Pei Ying; Tzeng, Wen Bih

2015-10-01

We applied two-color resonant two-photon ionization and mass-analyzed threshold ionization techniques to record the vibronic, photoionization efficiency, and cation spectra of the selected rotamers of 3-fluorostyrene. The adiabatic ionization energies of cis- and trans-3-fluorostyrene were determined to be 69 960 ± 5 and 69 856 ± 5 cm-1, respectively. Cation vibrations 10a, 15, 6b, and 12 of both rotamers have been found to have frequencies of 218, 404, 452, and 971 cm-1, respectively. This finding shows that the relative orientation of the vinyl group with respect to the F atom does not affect these vibrations of the 3-fluorostyrene cation. Our one-dimensional potential energy surface calculations support that the cis-trans isomerization of 3-fluorostyrene does not occur under the present experimental conditions.

PHYSICS OF A PARTIALLY IONIZED GAS RELEVANT TO GALAXY FORMATION SIMULATIONS-THE IONIZATION POTENTIAL ENERGY RESERVOIR

Energy Technology Data Exchange (ETDEWEB)

Vandenbroucke, B.; De Rijcke, S.; Schroyen, J. [Department of Physics and Astronomy, Ghent University, Krijgslaan 281, S9, B-9000 Gent (Belgium); Jachowicz, N. [Department of Physics and Astronomy, Ghent University, Proeftuinstraat 86, B-9000 Gent (Belgium)

2013-07-01

Simulation codes for galaxy formation and evolution take on board as many physical processes as possible beyond the standard gravitational and hydrodynamical physics. Most of this extra physics takes place below the resolution level of the simulations and is added in a ''sub-grid'' fashion. However, these sub-grid processes affect the macroscopic hydrodynamical properties of the gas and thus couple to the ''on-grid'' physics that is explicitly integrated during the simulation. In this paper, we focus on the link between partial ionization and the hydrodynamical equations. We show that the energy stored in ions and free electrons constitutes a potential energy term which breaks the linear dependence of the internal energy on temperature. Correctly taking into account ionization hence requires modifying both the equation of state and the energy-temperature relation. We implemented these changes in the cosmological simulation code GADGET2. As an example of the effects of these changes, we study the propagation of Sedov-Taylor shock waves through an ionizing medium. This serves as a proxy for the absorption of supernova feedback energy by the interstellar medium. Depending on the density and temperature of the surrounding gas, we find that up to 50% of the feedback energy is spent ionizing the gas rather than heating it. Thus, it can be expected that properly taking into account ionization effects in galaxy evolution simulations will drastically reduce the effects of thermal feedback. To the best of our knowledge, this potential energy term is not used in current simulations of galaxy formation and evolution.

Attosecond control of dissociative ionization of O{sub 2} molecules

Energy Technology Data Exchange (ETDEWEB)

Siu, W.; Kelkensberg, F.; Gademann, G. [FOM Institute AMOLF, Science Park 104, NL-1098 XG Amsterdam (Netherlands); Rouzee, A.; Vrakking, M. J. J. [FOM Institute AMOLF, Science Park 104, NL-1098 XG Amsterdam (Netherlands); Max-Born-Institut, Max-Born Strasse 2A, D-12489 Berlin (Germany); Johnsson, P. [FOM Institute AMOLF, Science Park 104, NL-1098 XG Amsterdam (Netherlands); Department of Physics, Lund University, Post Office Box 118, SE-221 00 Lund (Sweden); Dowek, D. [Laboratoire des Collisions Atomiques et Moleculaires (UMR Universite Paris-Sud et CNRS, 8625), Batiment 351, Universite Paris-Sud, F-91405 Orsay Cedex (France); Lucchini, M.; Calegari, F. [Department of Physics, Politecnico di Milano, Istituto di Fotonica e Nanotecnologie CNR-IFN, Piazza Leonardo da Vinci 32, 20133 Milano (Italy); De Giovannini, U.; Rubio, A. [Nano-bio Spectroscopy Group, ETSF Scientific Development Centre, Universidad del Pais Vasco, Avenida Tolosa 72, E-20018 San Sebastian (Spain); Lucchese, R. R. [Department of Chemistry, Texas A and M University, Post Office Box 30012, College Station, Texas 77842-3012 (United States); Kono, H. [Department of Chemistry, Graduate School of Science, Tohoku University, Sendai 980-8578 (Japan); Lepine, F. [Universite Lyon 1/CNRS/LASIM, UMR 5579, 43 Boulevard Du 11 Novembre 1918, F-69622 Villeurbane (France)

2011-12-15

We demonstrate that dissociative ionization of O{sub 2} can be controlled by the relative delay between an attosecond pulse train (APT) and a copropagating infrared (IR) field. Our experiments reveal a dependence of both the branching ratios between a range of electronic states and the fragment angular distributions on the extreme ultraviolet (XUV) to IR time delay. The observations go beyond adiabatic propagation of dissociative wave packets on IR-induced quasistatic potential energy curves and are understood in terms of an IR-induced coupling between electronic states in the molecular ion.

Atomic resonances above the total ionization energy

International Nuclear Information System (INIS)

Doolen, G.

1975-01-01

A rigorous result obtained using the theory associated with dilatation analytic potentials is that by performing a complex coordinate rotation, r/subj/ → r/subj/e/subi//sup theta/, on a Hamiltonian whose potential involves only pairwise Coulombic interactions, one can show that when theta = π/2, no complex eigenvalues (resonances) appear whose energies have a real part greater than the total ionization energy of the atomic system. This appears to conflict with experimental results of Walton, Peart, and Dolder, who find resonance behavior above the total ionization energy of the H -- system and also the theoretical stabilization results of Taylor and Thomas for the same system. A possible resolution of this apparent conflict is discussed and a calculation to check its validity is proposed

Dzyaloshinskii-Moriya interactions and adiabatic magnetization dynamics in molecular magnets

NARCIS (Netherlands)

De Raedt, H; Miyashita, S; Michielsen, K; Machida, M

A microscopic model of the molecular magnet V-15 is used to study mechanisms for the adiabatic change of the magnetization in time-dependent magnetic fields. The effects of the Dzyaloshinskii-Moriya interaction, the most plausible source for the energy-level repulsions that lead to adiabatic changes

Muonic molecules as three-body Coulomb problem in adiabatic approximation

International Nuclear Information System (INIS)

Decker, M.

1994-04-01

The three-body Coulomb problem is treated within the framework of the hyperspherical adiabatic approach. The surface functions are expanded into Faddeev-type components in order to ensure the equivalent representation of all possible two-body contributions. It is shown that this decomposition reduces the numerical effort considerably. The remaining radial equations are solved both in the extreme and the uncoupled adiabatic approximation to determine the binding energies of the systems (dtμ) and (d 3 Heμ). Whereas the ground state is described very well in the uncoupled adiabatic approximation, the excited states should be treated within the coupled adiabatic approximation to obtain good agreement with variational calculations. (orig.)

On Adiabatic Processes at the Elementary Particle Level

OpenAIRE

A, Michaud

2016-01-01

Analysis of adiabatic processes at the elementary particle level and of the manner in which they correlate with the principle of conservation of energy, the principle of least action and entropy. Analysis of the initial and irreversible adiabatic acceleration sequence of newly created elementary particles and its relation to these principles. Exploration of the consequences if this first initial acceleration sequence is not subject to the principle of conservation.

Interpolation approach to Hamiltonian-varying quantum systems and the adiabatic theorem

International Nuclear Information System (INIS)

Pan, Yu; James, Matthew R.; Miao, Zibo; Amini, Nina H.; Ugrinovskii, Valery

2015-01-01

Quantum control could be implemented by varying the system Hamiltonian. According to adiabatic theorem, a slowly changing Hamiltonian can approximately keep the system at the ground state during the evolution if the initial state is a ground state. In this paper we consider this process as an interpolation between the initial and final Hamiltonians. We use the mean value of a single operator to measure the distance between the final state and the ideal ground state. This measure resembles the excitation energy or excess work performed in thermodynamics, which can be taken as the error of adiabatic approximation. We prove that under certain conditions, this error can be estimated for an arbitrarily given interpolating function. This error estimation could be used as guideline to induce adiabatic evolution. According to our calculation, the adiabatic approximation error is not linearly proportional to the average speed of the variation of the system Hamiltonian and the inverse of the energy gaps in many cases. In particular, we apply this analysis to an example in which the applicability of the adiabatic theorem is questionable. (orig.)

Ionization photophysics and Rydberg spectroscopy of diacetylene

KAUST Repository

Schwell, Martin

2012-11-01

Photoionization of diacetylene was studied using synchrotron radiation over the range 8-24 eV, with photoelectron-photoion coincidence (PEPICO) and threshold photoelectron-photoion coincidence (TPEPICO) techniques. Mass spectra, ion yields, total and partial ionization cross-sections were measured. The adiabatic ionization energy of diacetylene was determined as IE ad=(10.17±0.01) eV, and the appearance energy of the principal fragment ion C4H+ as AE=(16.15±0.03) eV. Calculated appearance energies of other fragment ions were used to infer aspects of dissociation pathways forming the weaker fragment ions C+ 4, C3H+, C+3 and C 4H+. Structured autoionization features observed in the PEPICO spectrum of diacetylene in the 11-13 eV region were assigned to vibrational components of three new Rydberg series, R1(nsσg, n=4-11), R2(ndσg, n=4-7) and R3(ndδg, n=4-6) converging to the A2Πu state of the cation, and to a new series R01(nsσg, n=3) converging to the B\\' 2Σ+u state of the cation. The autoionization mechanisms and their consistence with specific selection rules are discussed. © 2012 Taylor and Francis.

Ionization photophysics and Rydberg spectroscopy of diacetylene

KAUST Repository

Schwell, Martin; Bé nilan, Yves; Fray, Nicolas; Gazeau, Marie Claire; Es-sebbar, Et-touhami; Gaie-Levrel, Franç ois; Champion, Norbert; Leach, Sydney Sydney

2012-01-01

Photoionization of diacetylene was studied using synchrotron radiation over the range 8-24 eV, with photoelectron-photoion coincidence (PEPICO) and threshold photoelectron-photoion coincidence (TPEPICO) techniques. Mass spectra, ion yields, total and partial ionization cross-sections were measured. The adiabatic ionization energy of diacetylene was determined as IE ad=(10.17±0.01) eV, and the appearance energy of the principal fragment ion C4H+ as AE=(16.15±0.03) eV. Calculated appearance energies of other fragment ions were used to infer aspects of dissociation pathways forming the weaker fragment ions C+ 4, C3H+, C+3 and C 4H+. Structured autoionization features observed in the PEPICO spectrum of diacetylene in the 11-13 eV region were assigned to vibrational components of three new Rydberg series, R1(nsσg, n=4-11), R2(ndσg, n=4-7) and R3(ndδg, n=4-6) converging to the A2Πu state of the cation, and to a new series R01(nsσg, n=3) converging to the B' 2Σ+u state of the cation. The autoionization mechanisms and their consistence with specific selection rules are discussed. © 2012 Taylor and Francis.

Adiabatic rotation, quantum search, and preparation of superposition states

International Nuclear Information System (INIS)

Siu, M. Stewart

2007-01-01

We introduce the idea of using adiabatic rotation to generate superpositions of a large class of quantum states. For quantum computing this is an interesting alternative to the well-studied 'straight line' adiabatic evolution. In ways that complement recent results, we show how to efficiently prepare three types of states: Kitaev's toric code state, the cluster state of the measurement-based computation model, and the history state used in the adiabatic simulation of a quantum circuit. We also show that the method, when adapted for quantum search, provides quadratic speedup as other optimal methods do with the advantages that the problem Hamiltonian is time independent and that the energy gap above the ground state is strictly nondecreasing with time. Likewise the method can be used for optimization as an alternative to the standard adiabatic algorithm

Exponential vanishing of the ground-state gap of the quantum random energy model via adiabatic quantum computing

Science.gov (United States)

Adame, J.; Warzel, S.

2015-11-01

In this note, we use ideas of Farhi et al. [Int. J. Quantum. Inf. 6, 503 (2008) and Quantum Inf. Comput. 11, 840 (2011)] who link a lower bound on the run time of their quantum adiabatic search algorithm to an upper bound on the energy gap above the ground-state of the generators of this algorithm. We apply these ideas to the quantum random energy model (QREM). Our main result is a simple proof of the conjectured exponential vanishing of the energy gap of the QREM.

Exponential vanishing of the ground-state gap of the quantum random energy model via adiabatic quantum computing

International Nuclear Information System (INIS)

Adame, J.; Warzel, S.

2015-01-01

In this note, we use ideas of Farhi et al. [Int. J. Quantum. Inf. 6, 503 (2008) and Quantum Inf. Comput. 11, 840 (2011)] who link a lower bound on the run time of their quantum adiabatic search algorithm to an upper bound on the energy gap above the ground-state of the generators of this algorithm. We apply these ideas to the quantum random energy model (QREM). Our main result is a simple proof of the conjectured exponential vanishing of the energy gap of the QREM

An energy-efficient, adiabatic electrode stimulator with inductive energy recycling and feedback current regulation.

Science.gov (United States)

Arfin, Scott K; Sarpeshkar, Rahul

2012-02-01

In this paper, we present a novel energy-efficient electrode stimulator. Our stimulator uses inductive storage and recycling of energy in a dynamic power supply. This supply drives an electrode in an adiabatic fashion such that energy consumption is minimized. It also utilizes a shunt current-sensor to monitor and regulate the current through the electrode via feedback, thus enabling flexible and safe stimulation. Since there are no explicit current sources or current limiters, wasteful energy dissipation across such elements is naturally avoided. The dynamic power supply allows efficient transfer of energy both to and from the electrode and is based on a DC-DC converter topology that we use in a bidirectional fashion in forward-buck or reverse-boost modes. In an exemplary electrode implementation intended for neural stimulation, we show how the stimulator combines the efficiency of voltage control and the safety and accuracy of current control in a single low-power integrated-circuit built in a standard .35 μm CMOS process. This stimulator achieves a 2x-3x reduction in energy consumption as compared to a conventional current-source-based stimulator operating from a fixed power supply. We perform a theoretical analysis of the energy efficiency that is in accord with experimental measurements. This theoretical analysis reveals that further improvements in energy efficiency may be achievable with better implementations in the future. Our electrode stimulator could be widely useful for neural, cardiac, retinal, cochlear, muscular and other biomedical implants where low power operation is important.

Ionization photophysics and spectroscopy of dicyanoacetylene

Energy Technology Data Exchange (ETDEWEB)

Leach, Sydney, E-mail: Sydney.Leach@obspm.fr, E-mail: Martin.Schwell@lisa.u-pec.fr; Champion, Norbert [LERMA UMR CNRS 8112, Observatoire de Paris-Meudon, 5 place Jules-Jansen, 92195 Meudon (France); Schwell, Martin, E-mail: Sydney.Leach@obspm.fr, E-mail: Martin.Schwell@lisa.u-pec.fr; Bénilan, Yves; Fray, Nicolas; Gazeau, Marie-Claire [LISA UMR CNRS 7583, Université Paris-Est Créteil and Université Paris Diderot, Institut Pierre Simon Laplace, 61 Avenue du Général de Gaulle, 94010 Créteil (France); Garcia, Gustavo A.; Gaie-Levrel, François [Synchrotron SOLEIL, L’Orme des Merisiers, St. Aubin, B.P. 48, 91192 Gif-sur-Yvette Cedex (France); Guillemin, Jean-Claude [Institut des Sciences Chimiques de Rennes, Ecole Nationale Supérieure de Chimie de Rennes, CNRS UMR 6226, 11 Allée de Beaulieu, CS 50837, 35708 Rennes Cedex 7 (France)

2013-11-14

Photoionization of dicyanoacetylene was studied using synchrotron radiation over the excitation range 8–25 eV, with photoelectron-photoion coincidence techniques. The absolute ionization cross-section and detailed spectroscopic aspects of the parent ion were recorded. The adiabatic ionization energy of dicyanoacetylene was measured as 11.80 ± 0.01 eV. A detailed analysis of the cation spectroscopy involves new aspects and new assignments of the vibrational components to excitation of the quasi-degenerate A{sup 2}Π{sub g}, B{sup 2}Σ{sub g}{sup +} states as well as the C{sup 2}Σ{sub u}{sup +} and D{sup 2}Π{sub u} states of the cation. Some of the structured autoionization features observed in the 12.4–15 eV region of the total ion yield spectrum were assigned to vibrational components of valence shell transitions and to two previously unknown Rydberg series converging to the D{sup 2}Π{sub u} state of C{sub 4}N{sub 2}{sup +}. The appearance energies of the fragment ions C{sub 4}N{sup +}, C{sub 3}N{sup +}, C{sub 4}{sup +}, C{sub 2}N{sup +}, and C{sub 2}{sup +} were measured and their heats of formation were determined and compared with existing literature values. Thermochemical calculations of the appearance potentials of these and other weaker ions were used to infer aspects of dissociative ionization pathways.

III. Penning ionization, associative ionization and chemi-ionization processes

International Nuclear Information System (INIS)

Cermak, V.

1975-01-01

Physical mechanisms of three important ionization processes in a cold plasma and the methods of their experimental study are discussed. An apparatus for the investigation of the Penning ionization using ionization processes of long lived metastable rare gas atoms is described. Methods of determining interaction energies and ionization rates from the measured energy spectra of the originating electrons are described and illustrated by several examples. Typical associative ionization processes are listed and the ionization rates are compared with those of the Penning ionization. Interactions with short-lived excited particles and the transfer of excitation without ionization are discussed. (J.U.)

Adiabatic invariants of the extended KdV equation

Energy Technology Data Exchange (ETDEWEB)

Karczewska, Anna [Faculty of Mathematics, Computer Science and Econometrics, University of Zielona Góra, Szafrana 4a, 65-246 Zielona Góra (Poland); Rozmej, Piotr, E-mail: p.rozmej@if.uz.zgora.pl [Institute of Physics, Faculty of Physics and Astronomy, University of Zielona Góra, Szafrana 4a, 65-246 Zielona Góra (Poland); Infeld, Eryk [National Centre for Nuclear Research, Hoża 69, 00-681 Warszawa (Poland); Rowlands, George [Department of Physics, University of Warwick, Coventry, CV4 7A (United Kingdom)

2017-01-30

When the Euler equations for shallow water are taken to the next order, beyond KdV, momentum and energy are no longer exact invariants. (The only one is mass.) However, adiabatic invariants (AI) can be found. When the KdV expansion parameters are zero, exact invariants are recovered. Existence of adiabatic invariants results from general theory of near-identity transformations (NIT) which allow us to transform higher order nonintegrable equations to asymptotically equivalent (when small parameters tend to zero) integrable form. Here we present a direct method of calculations of adiabatic invariants. It does not need a transformation to a moving reference frame nor performing a near-identity transformation. Numerical tests show that deviations of AI from constant values are indeed small. - Highlights: • We suggest a new and simple method for calculating adiabatic invariants of second order wave equations. • It is easy to use and we hope that it will be useful if published. • Interesting numerics included.

Dynamical constraints and adiabatic invariants in chemical reactions.

Science.gov (United States)

Lorquet, J C

2007-08-23

For long-range electrostatic potentials and, more generally, when the topography of the potential energy surface is locally simple, the reaction path coordinate is adiabatically separable from the perpendicular degrees of freedom. For the ion-permanent dipole and ion-quadrupole interactions, the Poisson bracket of the adiabatic invariant decreases with the interfragment distance more rapidly than the electrostatic potential. The smaller the translational momentum, the moment of inertia of the neutral fragment, and the dipole or quadrupole moments are, the more reliable the adiabatic approximation is, as expected from the usual argumentation. Closed-form expressions for an effective one-dimensional potential in an adiabatic Hamiltonian are given. Connection with a model where the decoupling is exact is obtained in the limit of an infinitely heavy dipole. The dynamics is also constrained by adiabatic invariance for a harmonic valley about a curved reaction path, as shown by the reaction path Hamiltonian method. The maximum entropy method reveals that, as a result of the invariance properties of the entropy, constraints whose validity has been demonstrated locally only subsist in all parts of phase space. However, their form varies continuously, and they are not necessarily expressed in simple terms as they are in the asymptotic region. Therefore, although the influence of adiabatic invariance has been demonstrated at asymptotically large values of the reaction coordinate only, it persists in more interesting ranges.

Exploring Redox Properties of Aromatic Amino Acids in Water: Contrasting Single Photon vs Resonant Multiphoton Ionization in Aqueous Solutions.

Science.gov (United States)

Roy, Anirban; Seidel, Robert; Kumar, Gaurav; Bradforth, Stephen E

2018-04-12

Direct measurements of the valence ionization energies and the reorganization energies of the three aromatic amino acids, l-tyrosine, l-tryptophan, and l-phenylalanine, in aqueous solution using the liquid microjet technique and two different photoemission methods-X-ray photoelectron spectroscopy (XPS) at 175 eV photon energy and resonant two-photon ionization (R2PI) using 2 × 267 nm (2 × 4.64 eV) UV laser light-are reported. l-Tryptophan has the lowest vertical ionization energy, 7.3 eV, followed by tyrosine (7.8 eV) and phenylalanine (∼8.7 eV). Essentially, no variation in recovered orbital energies is observed comparing near threshold ionization to X-ray ionization. Superior sensitivity of the (background-free) R2PI scheme for solutions with very low solute concentration (<2 mM) is demonstrated in contrast to the single-photon XPS measurements, which often requires solute concentrations of 0.1-1 molar. This higher sensitivity along with chemical selectivity of the R2PI technique can be exploited for both spectroscopic assignment and as an analytical tool. The nature of the adiabatic ionization energy for the three aromatic amino acids has been explored by the R2PI approach and by empirically formulating the correlation between the estimated ionization onset with electronic and nuclear relaxation on the excited state surface. Our results have implications for understanding one-electron transfer within enzymes and in redox situations where (ir)reversible deprotonation occurs such as those manifest in the biochemistry of oxidation damage.

A design study of non-adiabatic electron guns

International Nuclear Information System (INIS)

Barroso, J.J.; Stellati, C.

1994-01-01

The design of a non-adiabatic gun capable of producing a 10 A, 50 KeV high-quality laminar electron beam is reported. In contrast to the magnetron injection gun with a conical cathode, where the beam is generated initially with a transverse velocity component, in the non-adiabatic gun electrons are extracted in a direction parallel to the axial guide magnetic field. The beam electrons acquire cyclotron motion as result of non-adiabatic processes in a strong non uniform electric field across the modulation anode. Such an extraction method gives rise to favourable features that are explored throughout the work. An extensive numerical simulation study has also been done to minimize velocity and energy spreads. (author). 3 refs, 5 figs, 1 tab

Comment on ''Semiclassical treatment of vibrational--translational energy transfer in the near-adiabatic approximation''

International Nuclear Information System (INIS)

Cady, W.A.; Clark, A.P.; Dickinson, A.S.

1975-01-01

Recently a near-adiabatic (perturbed stationary states) approximation was used in an investigation the collinear vibrational excitation of a harmonic oscillator. This approximation reduced the problem to that of obtaining transition probabilities for a harmonic oscillator with time-dependent forcing function. Cady derived an apparently exact solution for this problem. It is shown that this solution is not exact but that the solution results from making a further adiabatic approximation and a derivation is given that clearly shows the adiabatic character of this further approximation

Convergence of hyperspherical adiabatic expansion for helium-like systems

International Nuclear Information System (INIS)

Abrashkevich, A.G.; Abrashkevich, D.G.; Pojda, V.Yu.; Vinitskij, S.I.; Kaschiev, M.S.; Puzynin, I.V.

1988-01-01

The convergence of hyperspherical adiabatic expansion has been studied numerically. The spectral problems arising after separation of variables are solved by the finite-difference and finite element methods. The energies of the ground and some doubly excited staes of a hydrogen ion are calculated in the six-channel approximation within the 10 -4 a.u. accuracy. Obtained results demonstrate a rapid convergence of the hyperspherical adiabatic expansion. 14 refs.; 5 tabs

Scattering of a proton with the Li{sub 4} cluster: Non-adiabatic molecular dynamics description based on time-dependent density-functional theory

Energy Technology Data Exchange (ETDEWEB)

Castro, A., E-mail: acastro@bifi.es [Institute for Biocomputation and Physics of Complex Systems (BIFI) and Zaragoza Scientific Center for Advanced Modelling (ZCAM), University of Zaragoza, 50018 Zaragoza (Spain); Isla, M. [Departamento de Fisica Teorica, Atomica y Optica, Universidad de Valladolid, 47005 Valladolid (Spain); Martinez, Jose I. [Departamento de Fisica Teorica de la Materia Condensada, Universidad Autonoma de Madrid, ES-28049 Madrid (Spain); Alonso, J.A. [Departamento de Fisica Teorica, Atomica y Optica, Universidad de Valladolid, 47005 Valladolid (Spain)

2012-05-03

Graphical abstract: Two trajectories for the collision of a proton with the Lithium tetramer. On the left, the proton is scattered away, and a Li{sub 2} molecule plus two isolated Lithium atoms result. On the right, the proton is captured and a LiH molecule is created. Highlights: Black-Right-Pointing-Pointer Scattering of a proton with Lithium clusters described from first principles. Black-Right-Pointing-Pointer Description based on non-adiabatic molecular dynamics. Black-Right-Pointing-Pointer The electronic structure is described with time-dependent density-functional theory. Black-Right-Pointing-Pointer The method allows to discern reaction channels depending on initial parameters. - Abstract: We have employed non-adiabatic molecular dynamics based on time-dependent density-functional theory to characterize the scattering behavior of a proton with the Li{sub 4} cluster. This technique assumes a classical approximation for the nuclei, effectively coupled to the quantum electronic system. This time-dependent theoretical framework accounts, by construction, for possible charge transfer and ionization processes, as well as electronic excitations, which may play a role in the non-adiabatic regime. We have varied the incidence angles in order to analyze the possible reaction patterns. The initial proton kinetic energy of 10 eV is sufficiently high to induce non-adiabatic effects. For all the incidence angles considered the proton is scattered away, except in one interesting case in which one of the Lithium atoms captures it, forming a LiH molecule. This theoretical formalism proves to be a powerful, effective and predictive tool for the analysis of non-adiabatic processes at the nanoscale.

Correlation diagram approach to the dissociative ionization mechanisms of methanol

International Nuclear Information System (INIS)

Momigny, J.; Wankenne, H.; Krier, C.

1980-01-01

A systematic survey is made of the dissociation processes from the ground state and from the electronically excited states of CH 3 OH + . Most metastable processes occurring in the mass spectrum of CD 3 OH are studied also, including measurement of the kinetic energy release and appearance potentials. It is shown that if ionic species such as CH 2 OH + , CH 2 O + and HCO + are present in the mass spectrum of CH 3 OH, the isomers CH 3 O + , HCOH + and COH + are also present. The precursors of these ions having been identified by the metastable processes, correlation diagrams are used to show that, from the first ionization potential of CH 3 OH to 14 eV, the only exception being CH 3 O + which results from an electronically spin-forbidden predissociation, the fragment ions can be considered to result from adiabatic decay of the ground state of CH 3 OH + . The potential barriers involved in these adiabatic processes result either from conical intersection or from avoided-crossing between the ground state of CH 3 OH + and the electronically excited states occurring up to 14 eV. At higher energies, many non-adiabatic processes occur; for example, the appearance of CD 2 O + and the electronically excited states of HCO + and COH + ions. It is shown additionally that kinetic energy releases observed in the collision-induced processes CH 3 OH + → CH 2 OH + + H and CH 2 OH + → HCO + + H 2 are in good agreement with the mechanistic approach via the correlation diagram for the appearance of the non-collision-induced ion processes. (orig.)

Adiabatic energization in the ring current and its relation to other source and loss terms

Science.gov (United States)

Liemohn, M. W.; Kozyra, J. U.; Clauer, C. R.; Khazanov, G. V.; Thomsen, M. F.

2002-04-01

The influence of adiabatic energization and deenergization effects, caused by particle drift in radial distance, on ring current growth rates and loss lifetimes is investigated. Growth and loss rates from simulation results of four storms (5 June 1991, 15 May 1997, 19 October 1998, and 25 September 1998) are examined and compared against the y component of the solar wind electric field (Ey,sw). Energy change rates with and without the inclusion of adiabatic energy changes are considered to isolate the influence of this mechanism in governing changes of ring current strength. It is found that the influence of adiabatic drift effects on the energy change rates is very large when energization and deenergization are considered separately as gain and loss mechanisms, often about an order of magnitude larger than all other source or loss terms combined. This is true not only during storm times, when the open drift path configuration of the hot ions dominates the physics of the ring current, but also during quiet times, when the small oscillation in L of the closed trajectories creates a large source and loss of energy each drift orbit. However, the net energy change from adiabatic drift is often smaller than other source and loss processes, especially during quiet times. Energization from adiabatic drift dominates ring current growth only during portions of the main phase of storms. Furthermore, the net-adiabatic energization is often positive, because some particles are lost in the inner magnetosphere before they can adiabatically deenergize. It is shown that the inclusion of only this net-adiabatic drift effect in the total source rate or loss lifetime (depending on the sign of the net-adiabatic energization) best matches the observed source and loss values from empirical Dst predictor methods (that is, for consistency, these values should be compared between the calculation methods). While adiabatic deenergization dominates the loss timescales for all Ey,sw values

Inhomogeneous quasi-adiabatic driving of quantum critical dynamics in weakly disordered spin chains

International Nuclear Information System (INIS)

Rams, Marek M; Mohseni, Masoud; Campo, Adolfo del

2016-01-01

We introduce an inhomogeneous protocol to drive a weakly disordered quantum spin chain quasi-adiabatically across a quantum phase transition and minimize the residual energy of the final state. The number of spins that simultaneously reach the critical point is controlled by the length scale in which the magnetic field is modulated, introducing an effective size that favors adiabatic dynamics. The dependence of the residual energy on this length scale and the velocity at which the magnetic field sweeps out the chain is shown to be nonmonotonic. We determine the conditions for an optimal suppression of the residual energy of the final state and show that inhomogeneous driving can outperform conventional adiabatic schemes based on homogeneous control fields by several orders of magnitude. (paper)

Excitation and ionization of ethylene by charged projectiles

International Nuclear Information System (INIS)

Wang Zhiping; Wang Jing; Zhang Fengshou

2010-01-01

Using the time dependent local density approximation, applied to valence electrons, coupled non-adiabatically to molecular dynamics of ions, the collision process between ethylene and fast charged projectiles is studied in the microscopic way. The impact of ionic motion on the ionization is explored to show the importance of treating electronic and ionic degrees of freedom simultaneously. The number of escaped electrons, ionization probabilities are obtained. Furthermore, it is found that the ionic extensions in different directions show the different patterns. (authors)

Post-adiabatic analysis of atomic collisions

International Nuclear Information System (INIS)

Klar, H.; Fano, U.

1976-01-01

The coupling between adiabatic channels can be partially transformed away. The transformation need not induce any transition between channnels; but it correlates the radial wave functions and their gradients with the channel functions and it depresses the lower effective potentials, as the energy increases, in accordance with empirical evidence

Comments on evaluation of energy of partial discharges in ionization chambers

International Nuclear Information System (INIS)

Lechowski, Z.

1980-01-01

A method of evaluation of energy of partial discharges in ionization chambers which are intended for investigation on electric strength of insulating materials is presented. It is demonstrated that an ionization chamber must be considered as a set of discharge sources and that for energy evaluation an amplitude analysis of apparent charge of discharges is useful. (author)

VUV photoionization of acetamide studied by electron/ion coincidence spectroscopy in the 8–24 eV photon energy range

International Nuclear Information System (INIS)

Schwell, Martin; Bénilan, Yves; Fray, Nicolas; Gazeau, Marie-Claire; Es-Sebbar, Et.; Garcia, Gustavo A.; Nahon, Laurent; Champion, Norbert; Leach, Sydney

2012-01-01

Highlights: ► We study the VUV photoionization of acetamide in the 8–24 eV photon energy range. ► Electron/ion coincidence measurements are performed using synchrotron radiation. ► The adiabatic ionization energy of acetamide is determined by TPEPICO measurements. ► VUV induced fragmentation pathways of acetamide are assigned and discussed. - Abstract: A VUV photoionization study of acetamide was carried out over the 8–24 eV photon energy range using synchrotron radiation and photoelectron/photoion coincidence (PEPICO) spectroscopy. Threshold photoelectron photoion coincidence (TPEPICO) measurements were also made. Photoion yield curves and branching ratios were measured for the parent ion and six fragment ions. The adiabatic ionization energy of acetamide was determined as I.E. (1 2 A′) = (9.71 ± 0.02) eV, in agreement with an earlier reported photoionization mass spectrometry (PIMS) value. The adiabatic energy of the first excited state of the ion, 1 2 A″, was determined to be ≈10.1 eV. Assignments of the fragment ions and the pathways of their formation by dissociative photoionization were made. The neutral species lost in the principal dissociative photoionization processes are CH 3 , NH 2 , NH 3 , CO, HCCO and NH 2 CO. Heats of formation are derived for all ions detected and are compared with literature values. Some astrophysical implications of these results are discussed.

Non-Adiabatic Molecular Dynamics Methods for Materials Discovery

Energy Technology Data Exchange (ETDEWEB)

Furche, Filipp [Univ. of California, Irvine, CA (United States); Parker, Shane M. [Univ. of California, Irvine, CA (United States); Muuronen, Mikko J. [Univ. of California, Irvine, CA (United States); Roy, Saswata [Univ. of California, Irvine, CA (United States)

2017-04-04

The flow of radiative energy in light-driven materials such as photosensitizer dyes or photocatalysts is governed by non-adiabatic transitions between electronic states and cannot be described within the Born-Oppenheimer approximation commonly used in electronic structure theory. The non-adiabatic molecular dynamics (NAMD) methods based on Tully surface hopping and time-dependent density functional theory developed in this project have greatly extended the range of molecular materials that can be tackled by NAMD simulations. New algorithms to compute molecular excited state and response properties efficiently were developed. Fundamental limitations of common non-linear response methods were discovered and characterized. Methods for accurate computations of vibronic spectra of materials such as black absorbers were developed and applied. It was shown that open-shell TDDFT methods capture bond breaking in NAMD simulations, a longstanding challenge for single-reference molecular dynamics simulations. The methods developed in this project were applied to study the photodissociation of acetaldehyde and revealed that non-adiabatic effects are experimentally observable in fragment kinetic energy distributions. Finally, the project enabled the first detailed NAMD simulations of photocatalytic water oxidation by titania nanoclusters, uncovering the mechanism of this fundamentally important reaction for fuel generation and storage.

Adiabatic quantum simulators

Directory of Open Access Journals (Sweden)

J. D. Biamonte

2011-06-01

Full Text Available In his famous 1981 talk, Feynman proposed that unlike classical computers, which would presumably experience an exponential slowdown when simulating quantum phenomena, a universal quantum simulator would not. An ideal quantum simulator would be controllable, and built using existing technology. In some cases, moving away from gate-model-based implementations of quantum computing may offer a more feasible solution for particular experimental implementations. Here we consider an adiabatic quantum simulator which simulates the ground state properties of sparse Hamiltonians consisting of one- and two-local interaction terms, using sparse Hamiltonians with at most three-local interactions. Properties of such Hamiltonians can be well approximated with Hamiltonians containing only two-local terms. The register holding the simulated ground state is brought adiabatically into interaction with a probe qubit, followed by a single diabatic gate operation on the probe which then undergoes free evolution until measured. This allows one to recover e.g. the ground state energy of the Hamiltonian being simulated. Given a ground state, this scheme can be used to verify the QMA-complete problem LOCAL HAMILTONIAN, and is therefore likely more powerful than classical computing.

Transitionless driving on adiabatic search algorithm

Energy Technology Data Exchange (ETDEWEB)

Oh, Sangchul, E-mail: soh@qf.org.qa [Qatar Environment and Energy Research Institute, Qatar Foundation, Doha (Qatar); Kais, Sabre, E-mail: kais@purdue.edu [Qatar Environment and Energy Research Institute, Qatar Foundation, Doha (Qatar); Department of Chemistry, Department of Physics and Birck Nanotechnology Center, Purdue University, West Lafayette, Indiana 47907 (United States)

2014-12-14

We study quantum dynamics of the adiabatic search algorithm with the equivalent two-level system. Its adiabatic and non-adiabatic evolution is studied and visualized as trajectories of Bloch vectors on a Bloch sphere. We find the change in the non-adiabatic transition probability from exponential decay for the short running time to inverse-square decay in asymptotic running time. The scaling of the critical running time is expressed in terms of the Lambert W function. We derive the transitionless driving Hamiltonian for the adiabatic search algorithm, which makes a quantum state follow the adiabatic path. We demonstrate that a uniform transitionless driving Hamiltonian, approximate to the exact time-dependent driving Hamiltonian, can alter the non-adiabatic transition probability from the inverse square decay to the inverse fourth power decay with the running time. This may open up a new but simple way of speeding up adiabatic quantum dynamics.

Excitation and Ionization of Ethylene by Charged Projectiles

International Nuclear Information System (INIS)

Zhi-Ping, Wang; Jing, Wang; Feng-Shou, Zhang

2010-01-01

Using the time dependent local density approximation, applied to valence electrons, coupled non-adiabatically to molecular dynamics of ions, the collision process between ethylene and fast charged projectiles is studied in the microscopic way. The impact of ionic motion on the ionization is explored to show the importance of treating electronic and ionic degrees of freedom simultaneously. The number of escaped electrons, ionization probabilities are obtained. Furthermore, it is found that the ionic extensions in different directions show the different patterns. (atomic and molecular physics)

Treatment of Electronic Energy Level Transition and Ionization Following the Particle-Based Chemistry Model

Science.gov (United States)

Liechty, Derek S.; Lewis, Mark

2010-01-01

A new method of treating electronic energy level transitions as well as linking ionization to electronic energy levels is proposed following the particle-based chemistry model of Bird. Although the use of electronic energy levels and ionization reactions in DSMC are not new ideas, the current method of selecting what level to transition to, how to reproduce transition rates, and the linking of the electronic energy levels to ionization are, to the author s knowledge, novel concepts. The resulting equilibrium temperatures are shown to remain constant, and the electronic energy level distributions are shown to reproduce the Boltzmann distribution. The electronic energy level transition rates and ionization rates due to electron impacts are shown to reproduce theoretical and measured rates. The rates due to heavy particle impacts, while not as favorable as the electron impact rates, compare favorably to values from the literature. Thus, these new extensions to the particle-based chemistry model of Bird provide an accurate method for predicting electronic energy level transition and ionization rates in gases.

Investigation of the energy levels of the gadolinium atom using resonance ionization mass spectrometry

International Nuclear Information System (INIS)

Kim, Jin Tae; Yi, Jong Hoon; Rhee, Yong Joo; Lee, Jong Min

2000-01-01

We have investigated the ionization processes, the energy values, and the strengths of ion signals by using a dye laser frequency in the ultra-violet range with one-color multi-photon ionization. Also, two color multi-photon ionization by using another near infrared photon has been done to investigate energy levels with odd-parity in the energy range of between 35500 cm -1 and 37700 cm -1

Bond selective chemistry beyond the adiabatic approximation

Energy Technology Data Exchange (ETDEWEB)

Butler, L.J. [Univ. of Chicago, IL (United States)

1993-12-01

One of the most important challenges in chemistry is to develop predictive ability for the branching between energetically allowed chemical reaction pathways. Such predictive capability, coupled with a fundamental understanding of the important molecular interactions, is essential to the development and utilization of new fuels and the design of efficient combustion processes. Existing transition state and exact quantum theories successfully predict the branching between available product channels for systems in which each reaction coordinate can be adequately described by different paths along a single adiabatic potential energy surface. In particular, unimolecular dissociation following thermal, infrared multiphoton, or overtone excitation in the ground state yields a branching between energetically allowed product channels which can be successfully predicted by the application of statistical theories, i.e. the weakest bond breaks. (The predictions are particularly good for competing reactions in which when there is no saddle point along the reaction coordinates, as in simple bond fission reactions.) The predicted lack of bond selectivity results from the assumption of rapid internal vibrational energy redistribution and the implicit use of a single adiabatic Born-Oppenheimer potential energy surface for the reaction. However, the adiabatic approximation is not valid for the reaction of a wide variety of energetic materials and organic fuels; coupling between the electronic states of the reacting species play a a key role in determining the selectivity of the chemical reactions induced. The work described below investigated the central role played by coupling between electronic states in polyatomic molecules in determining the selective branching between energetically allowed fragmentation pathways in two key systems.

Low-energy P-wave phaseshifts for positron-hydrogen elastic scattering using an adiabatic approximation

International Nuclear Information System (INIS)

Armour, E.A.G.; Beker, C.A.; Farina, J.E.G.

1981-01-01

P-wave phaseshifts for positron-hydrogen elastic scattering are calculated using a new adiabatic approximation in which the length of the radius vector from the proton to the positron is fixed but its direction is allowed to vary. This adiabatic approximation makes possible the full inclusion in the calculation of virtual states in which angular momentum is transferred to the target H atom. The results obtained agree qualitatively with the highly accurate results of Bhatia and co-workers (Phys. Rev.; A9:219 (1974)) and are much closer to them than the results obtained using the usual adiabatic approximation in which the radius vector from the proton to the positron is fixed. (author)

A many-particle adiabatic invariant of strongly magnetized pure electron plasmas

International Nuclear Information System (INIS)

Hjorth, P.G.

1988-01-01

A pure electron plasma is said to be strongly magnetized if the cyclotron radius of the electrons is much smaller than the classical distance of closest approach. In this parameter regime a many-particle adiabatic invariant constrains the collisional dynamics. For the case of a uniform magnetic field, the adiabatic invariant is the total kinetic energy associated with the electron velocity components that are perpendicular to the magnetic field (i.e., Σ j mv 2 j perpendicular/2). Were the adiabatic invariant an exact constant of the motion, no exchange of energy would be possible between the parallel and the perpendicular degrees of freedom, and the plasma could develop and maintain two different temperatures T parallel and T perpendicular. An adiabatic invariant, however, is not strictly conserved. In the present case, each collision produces an exponentially small exchange of energy between the parallel and the perpendicular degrees of freedom, and these act cumulatively in such a way that T parallel and T perpendicular eventually relax to a common value. The rate of equilibrium is calculated, both in the case where the collisions are described by classical mechanics and in the case where the collisions are described by quantum mechanics, the two calculations giving essentially the same result. A molecular dynamics simulation has been carried out, verifying the existence of this unusual invariant, and verifying the theoretically predicted rate equation

Adiabatic Quantum Computing

Science.gov (United States)

Landahl, Andrew

2012-10-01

Quantum computers promise to exploit counterintuitive quantum physics principles like superposition, entanglement, and uncertainty to solve problems using fundamentally fewer steps than any conventional computer ever could. The mere possibility of such a device has sharpened our understanding of quantum coherent information, just as lasers did for our understanding of coherent light. The chief obstacle to developing quantum computer technology is decoherence--one of the fastest phenomena in all of physics. In principle, decoherence can be overcome by using clever entangled redundancies in a process called fault-tolerant quantum error correction. However, the quality and scale of technology required to realize this solution appears distant. An exciting alternative is a proposal called ``adiabatic'' quantum computing (AQC), in which adiabatic quantum physics keeps the computer in its lowest-energy configuration throughout its operation, rendering it immune to many decoherence sources. The Adiabatic Quantum Architectures In Ultracold Systems (AQUARIUS) Grand Challenge Project at Sandia seeks to demonstrate this robustness in the laboratory and point a path forward for future hardware development. We are building devices in AQUARIUS that realize the AQC architecture on up to three quantum bits (``qubits'') in two platforms: Cs atoms laser-cooled to below 5 microkelvin and Si quantum dots cryo-cooled to below 100 millikelvin. We are also expanding theoretical frontiers by developing methods for scalable universal AQC in these platforms. We have successfully demonstrated operational qubits in both platforms and have even run modest one-qubit calculations using our Cs device. In the course of reaching our primary proof-of-principle demonstrations, we have developed multiple spinoff technologies including nanofabricated diffractive optical elements that define optical-tweezer trap arrays and atomic-scale Si lithography commensurate with placing individual donor atoms with

Investigation of the energy levels of the gadolinium atom using resonance ionization mass spectrometry

CERN Document Server

Kim, J T; Rhee, Y J; Lee, J M

2000-01-01

We have investigated the ionization processes, the energy values, and the strengths of ion signals by using a dye laser frequency in the ultra-violet range with one-color multi-photon ionization. Also, two color multi-photon ionization by using another near infrared photon has been done to investigate energy levels with odd-parity in the energy range of between 35500 cm sup - sup 1 and 37700 cm sup - sup 1

An adiabatic time-dependent Hartree-Fock theory of collective motion in finite systems

International Nuclear Information System (INIS)

Baranger, M.; Veneroni, M.

1977-11-01

It is shown how to derive the parameters of a phenomenological collective model from a microscopic theory. The microscopic theory is Hartree-Fock, and one starts from the time-dependent Hartree-Fock equation. To this, the adiabatic approximation is added, and the energy in powers of an adiabatic parameter is expanded, which results in a collective kinetic energy quadratic in the velocities, with coefficients depending on the coordinates, as in the phenomenological models. The adiabatic equations of motion are derived in different ways and their analogy with classical mechanics is stressed. The role of the adiabatic hypothesis and its range of validity, are analyzed in detail. It assumes slow motion, but not small amplitude, and is therefore suitable for large-amplitude collective motion. The RPA is obtained as the limiting case where the amplitude is also small. The translational mass is correctly given and the moment of inertia under rotation is that of Thouless and Valatin

Tunnel ionization of H2 in a low-frequency laser field: A wave-packet approach

International Nuclear Information System (INIS)

Nguyen-Dang, T.; Chateauneuf, F.; Manoli, S.; Atabek, O.; Keller, A.

1997-01-01

The dynamics of multielectron dissociative ionization (MEDI) of H 2 in an intense IR laser pulse are investigated using a wave-packet propagation scheme. The electron tunneling processes corresponding to the successive ionizations of H 2 are expressed in terms of field-free Born-Oppenheimer (BO) potential energy surfaces (PES) by transforming the tunnel shape resonance picture into a Feshbach resonance problem. This transformation is achieved by defining a new, time-dependent electronic basis in which the bound electrons are still described by field-free BO electronic states while the ionized ones are described by Airy functions. In the adiabatic, quasistatic approximation, these functions describe free electrons under the influence of the instantaneous electric field of the laser and such an ionized electron can have a negative total energy. As a consequence, when dressed by the continuous ejected electron energy, the BO PES of an ionic channel can be brought into resonance with states of the parent species. This construction gives a picture in which wave packets are to be propagated on a continuum of coupled electronic manifolds. A reduction of the wave-packet propagation scheme to an effective five-channel problem has been obtained for the description of the first dissociative ionization process in H 2 by using Fano's formalism [U. Fano, Phys. Rev. 124, 1866 (1961)] to analytically diagonalize the infinite, continuous interaction potential matrix and by using the properties of Fano's solutions. With this algorithm, the effect that continuous ionization of H 2 has on the dissociation dynamics of the H 2 + ion has been investigated. In comparison with results that would be obtained if the first ionization of H 2 was impulsive, the wave-packet dynamics of the H 2 + ion prepared continuously by tunnel ionization are markedly nonadiabatic. (Abstract Truncated)

Perpendicular Diffusion Coefficient of Comic Rays: The Presence of Weak Adiabatic Focusing

Energy Technology Data Exchange (ETDEWEB)

Wang, J. F.; Ma, Q. M.; Song, T.; Yuan, S. B. [Research Department of Biomedical Engineering, Institute of Electrical Engineering, Chinese Academy of Science, Beijing 100190 (China); Qin, G., E-mail: wangjunfang@mail.iee.ac.cn, E-mail: qingang@hit.edu.cn [School of Science, Harbin Institute of Technology, Shenzhen 518055 (China)

2017-08-20

The influence of adiabatic focusing on particle diffusion is an important topic in astrophysics and plasma physics. In the past, several authors have explored the influence of along-field adiabatic focusing on the parallel diffusion of charged energetic particles. In this paper, using the unified nonlinear transport theory developed by Shalchi and the method of He and Schlickeiser, we derive a new nonlinear perpendicular diffusion coefficient for a non-uniform background magnetic field. This formula demonstrates that the particle perpendicular diffusion coefficient is modified by along-field adiabatic focusing. For isotropic pitch-angle scattering and the weak adiabatic focusing limit, the derived perpendicular diffusion coefficient is independent of the sign of adiabatic focusing characteristic length. For the two-component model, we simplify the perpendicular diffusion coefficient up to the second order of the power series of the adiabatic focusing characteristic quantity. We find that the first-order modifying factor is equal to zero and that the sign of the second order is determined by the energy of the particles.

Perpendicular Diffusion Coefficient of Comic Rays: The Presence of Weak Adiabatic Focusing

Science.gov (United States)

Wang, J. F.; Qin, G.; Ma, Q. M.; Song, T.; Yuan, S. B.

2017-08-01

The influence of adiabatic focusing on particle diffusion is an important topic in astrophysics and plasma physics. In the past, several authors have explored the influence of along-field adiabatic focusing on the parallel diffusion of charged energetic particles. In this paper, using the unified nonlinear transport theory developed by Shalchi and the method of He and Schlickeiser, we derive a new nonlinear perpendicular diffusion coefficient for a non-uniform background magnetic field. This formula demonstrates that the particle perpendicular diffusion coefficient is modified by along-field adiabatic focusing. For isotropic pitch-angle scattering and the weak adiabatic focusing limit, the derived perpendicular diffusion coefficient is independent of the sign of adiabatic focusing characteristic length. For the two-component model, we simplify the perpendicular diffusion coefficient up to the second order of the power series of the adiabatic focusing characteristic quantity. We find that the first-order modifying factor is equal to zero and that the sign of the second order is determined by the energy of the particles.

Perpendicular Diffusion Coefficient of Comic Rays: The Presence of Weak Adiabatic Focusing

International Nuclear Information System (INIS)

Wang, J. F.; Ma, Q. M.; Song, T.; Yuan, S. B.; Qin, G.

2017-01-01

The influence of adiabatic focusing on particle diffusion is an important topic in astrophysics and plasma physics. In the past, several authors have explored the influence of along-field adiabatic focusing on the parallel diffusion of charged energetic particles. In this paper, using the unified nonlinear transport theory developed by Shalchi and the method of He and Schlickeiser, we derive a new nonlinear perpendicular diffusion coefficient for a non-uniform background magnetic field. This formula demonstrates that the particle perpendicular diffusion coefficient is modified by along-field adiabatic focusing. For isotropic pitch-angle scattering and the weak adiabatic focusing limit, the derived perpendicular diffusion coefficient is independent of the sign of adiabatic focusing characteristic length. For the two-component model, we simplify the perpendicular diffusion coefficient up to the second order of the power series of the adiabatic focusing characteristic quantity. We find that the first-order modifying factor is equal to zero and that the sign of the second order is determined by the energy of the particles.

Radial behavior of the average local ionization energies of atoms

International Nuclear Information System (INIS)

Politzer, P.; Murray, J.S.; Grice, M.E.; Brinck, T.; Ranganathan, S.

1991-01-01

The radial behavior of the average local ionization energy bar I(r) has been investigated for the atoms He--Kr, using ab initio Hartree--Fock atomic wave functions. bar I(r) is found to decrease in a stepwise manner with the inflection points serving effectively to define boundaries between electronic shells. There is a good inverse correlation between polarizability and the ionization energy in the outermost region of the atom, suggesting that bar I(r) may be a meaningful measure of local polarizabilities in atoms and molecules

Experimental demonstration of efficient and robust second harmonic generation using the adiabatic temperature gradient method

Science.gov (United States)

Dimova, E.; Steflekova, V.; Karatodorov, S.; Kyoseva, E.

2018-03-01

We propose a way of achieving efficient and robust second-harmonic generation. The technique proposed is similar to the adiabatic population transfer in a two-state quantum system with crossing energies. If the phase mismatching changes slowly, e.g., due to a temperature gradient along the crystal, and makes the phase match for second-harmonic generation to occur, then the energy would be converted adiabatically to the second harmonic. As an adiabatic technique, the second-harmonic generation scheme presented is stable to variations in the crystal parameters, as well as in the input light, crystal length, input intensity, wavelength and angle of incidence.

Adiabatic Quantum Optimization for Associative Memory Recall

Science.gov (United States)

Seddiqi, Hadayat; Humble, Travis

2014-12-01

Hopfield networks are a variant of associative memory that recall patterns stored in the couplings of an Ising model. Stored memories are conventionally accessed as fixed points in the network dynamics that correspond to energetic minima of the spin state. We show that memories stored in a Hopfield network may also be recalled by energy minimization using adiabatic quantum optimization (AQO). Numerical simulations of the underlying quantum dynamics allow us to quantify AQO recall accuracy with respect to the number of stored memories and noise in the input key. We investigate AQO performance with respect to how memories are stored in the Ising model according to different learning rules. Our results demonstrate that AQO recall accuracy varies strongly with learning rule, a behavior that is attributed to differences in energy landscapes. Consequently, learning rules offer a family of methods for programming adiabatic quantum optimization that we expect to be useful for characterizing AQO performance.

Adiabatic Quantum Optimization for Associative Memory Recall

Directory of Open Access Journals (Sweden)

Hadayat eSeddiqi

2014-12-01

Full Text Available Hopfield networks are a variant of associative memory that recall patterns stored in the couplings of an Ising model. Stored memories are conventionally accessed as fixed points in the network dynamics that correspond to energetic minima of the spin state. We show that memories stored in a Hopfield network may also be recalled by energy minimization using adiabatic quantum optimization (AQO. Numerical simulations of the underlying quantum dynamics allow us to quantify AQO recall accuracy with respect to the number of stored memories and noise in the input key. We investigate AQO performance with respect to how memories are stored in the Ising model according to different learning rules. Our results demonstrate that AQO recall accuracy varies strongly with learning rule, a behavior that is attributed to differences in energy landscapes. Consequently, learning rules offer a family of methods for programming adiabatic quantum optimization that we expect to be useful for characterizing AQO performance.

A Thin detector with ionization tubes for high energy electrons and photons

International Nuclear Information System (INIS)

Amatuni, Ts. A.; Denisov, S.P.; Krasnokutsky, R.N.; Lebedenko, V.N.; Shuvalov, R.S.

1981-01-01

A possibility to measure the energy of electrons and photons with a simple detector, consisting of a lead convertor and ionization tubes filled with pure argon, has been studied. The measurements have been performed in a 26.6 GeV electron beam. The best energy resolution approximately 16% was achieved for the convertor thickness 40 mm and argon pressure > 20 atm. The performance of the detector in magnetic field up to 16 kGs has been also studied. It turned out that the mean pulse height rises approximately linearly with increasing magnetic field and becomes flat at H approximately 10 kGs. This behaviour is the same for magnetic field perpendicular and parallel with respect to the ionization tubes. The energy resolution depends weakly on the magnetic field. Ionization tubes filled with argon or xenon under high pressure may be used for minimum ionizing particle detection [ru

An adiabatic matching device for the Orsay linear positron accelerator

International Nuclear Information System (INIS)

Chehab, R.; Le Meur, G.; Mouton, B.; Renard, M.

1983-03-01

An adiabatically tapered solenoidal magnetic field is used to match positron beam source emittance to accelerating section acceptance. Such a matching system improves the accepted energy band which has been accurately computed and compared with analytical determination. The tapered field is provided by stacked pancakes and solenoids of various radii; total lens length is about 0.75m. The adiabatic matching system took place of a quarter wave transformer system and has been in operation for two years. Positron conversion ratio is 3.3% for a 1 GeV incident beam and presents a factor of nearly two of improvement for the positron yield. Energy bandwidth of positron beam has also been increased by a factor of nearly 2.5; the output positron beam energy is of 1.2 GeV

Topology hidden behind the breakdown of adiabaticity

International Nuclear Information System (INIS)

Fu, L.-B.; Chen, S.-G.

2005-01-01

For classical Hamiltonian systems, the adiabatic condition may fail at some critical points. However, the breakdown of the adiabatic condition does not always cause the adiabatic evolution to be destroyed. In this paper, we suggest a supplemental condition of the adiabatic evolution for the fixed points of classical Hamiltonian systems when the adiabatic condition breaks down at the critical points. As an example, we investigate the adiabatic evolution of the fixed points of a classical Hamiltonian system which has a number of applications

An Adiabatic Phase-Matching Accelerator

Energy Technology Data Exchange (ETDEWEB)

Lemery, Francois [DESY; Floettmann, Klaus [DESY; Piot, Philippe [Northern Illinois U.; Kaertner, Franz X. [Hamburg U.; Assmann, Ralph [DESY

2017-12-22

We present a general concept to accelerate non-relativistic charged particles. Our concept employs an adiabatically-tapered dielectric-lined waveguide which supports accelerating phase velocities for synchronous acceleration. We propose an ansatz for the transient field equations, show it satisfies Maxwell's equations under an adiabatic approximation and find excellent agreement with a finite-difference time-domain computer simulation. The fields were implemented into the particle-tracking program {\\sc astra} and we present beam dynamics results for an accelerating field with a 1-mm-wavelength and peak electric field of 100~MV/m. The numerical simulations indicate that a $\\sim 200$-keV electron beam can be accelerated to an energy of $\\sim10$~MeV over $\\sim 10$~cm. The novel scheme is also found to form electron beams with parameters of interest to a wide range of applications including, e.g., future advanced accelerators, and ultra-fast electron diffraction.

On the adiabatic theorem when eigenvalues dive into the continuum

DEFF Research Database (Denmark)

Cornean, Decebal Horia; Jensen, Arne; Knörr, Hans Konrad

2018-01-01

We consider a reduced two-channel model of an atom consisting of a quantum dot coupled to an open scattering channel described by a three-dimensional Laplacian. We are interested in the survival probability of a bound state when the dot energy varies smoothly and adiabatically in time. The initial...... in the adiabatic limit. At the end of the paper, we present a short outlook on how our method may be extended to cover other classes of Hamiltonians; details will be given elsewhere....

Monte Carlo modeling of Lead-Cooled Fast Reactor in adiabatic equilibrium state

Energy Technology Data Exchange (ETDEWEB)

Stanisz, Przemysław, E-mail: pstanisz@agh.edu.pl; Oettingen, Mikołaj, E-mail: moettin@agh.edu.pl; Cetnar, Jerzy, E-mail: cetnar@mail.ftj.agh.edu.pl

2016-05-15

Graphical abstract: - Highlights: • We present the Monte Carlo modeling of the LFR in the adiabatic equilibrium state. • We assess the adiabatic equilibrium fuel composition using the MCB code. • We define the self-adjusting process of breeding gain by the control rod operation. • The designed LFR can work in the adiabatic cycle with zero fuel breeding. - Abstract: Nuclear power would appear to be the only energy source able to satisfy the global energy demand while also achieving a significant reduction of greenhouse gas emissions. Moreover, it can provide a stable and secure source of electricity, and plays an important role in many European countries. However, nuclear power generation from its birth has been doomed by the legacy of radioactive nuclear waste. In addition, the looming decrease in the available resources of fissile U235 may influence the future sustainability of nuclear energy. The integrated solution to both problems is not trivial, and postulates the introduction of a closed-fuel cycle strategy based on breeder reactors. The perfect choice of a novel reactor system fulfilling both requirements is the Lead-Cooled Fast Reactor operating in the adiabatic equilibrium state. In such a state, the reactor converts depleted or natural uranium into plutonium while consuming any self-generated minor actinides and transferring only fission products as waste. We present the preliminary design of a Lead-Cooled Fast Reactor operating in the adiabatic equilibrium state with the Monte Carlo Continuous Energy Burnup Code – MCB. As a reference reactor model we apply the core design developed initially under the framework of the European Lead-cooled SYstem (ELSY) project and refined in the follow-up Lead-cooled European Advanced DEmonstration Reactor (LEADER) project. The major objective of the study is to show to what extent the constraints of the adiabatic cycle are maintained and to indicate the phase space for further improvements. The analysis

Isoelectronic sequence fits to configuration-averaged photoionization cross sections and ionization energies

International Nuclear Information System (INIS)

Clark, R.E.H.; Cowan, R.D.; Bobrowicz, F.W.

1986-01-01

Hartree--Fock wave functions have been used to calculate configuration -averaged photoionization cross sections and ionization energies for orbitals 1s< or =nl< or =5g in He-like through Al-like isoelectroni csequences. The photoionization cross sections have been fitted as a function of the nuclear charge, Z, and photon energy, X, in threshold units, with average error of less than 10%. The ionization energies have been fitted as a function of Z with errors of less than 0.5%

Adiabatic Expansion of Electron Gas in a Magnetic Nozzle

Science.gov (United States)

Takahashi, Kazunori; Charles, Christine; Boswell, Rod; Ando, Akira

2018-01-01

A specially constructed experiment shows the near perfect adiabatic expansion of an ideal electron gas resulting in a polytropic index greater than 1.4, approaching the adiabatic value of 5 /3 , when removing electric fields from the system, while the polytropic index close to unity is observed when the electrons are trapped by the electric fields. The measurements were made on collisionless electrons in an argon plasma expanding in a magnetic nozzle. The collision lengths of all electron collision processes are greater than the scale length of the expansion, meaning the system cannot be in thermodynamic equilibrium, yet thermodynamic concepts can be used, with caution, in explaining the results. In particular, a Lorentz force, created by inhomogeneities in the radial plasma density, does work on the expanding magnetic field, reducing the internal energy of the electron gas that behaves as an adiabatically expanding ideal gas.

Accurate core ionization potentials and photoelectron kinetic energies for light elements

Energy Technology Data Exchange (ETDEWEB)

Thomas, T D [Oregon State Univ., Corvallis; Shaw, Jr, R W

1974-01-01

By electron spectroscopy accurate values have been determined for the neon 1s ionization potential (870.312 +- .017 eV) and the neon Auger (/sup 1/D/sub 2/) kinetic energy (804.557 +- .017 eV). Using these together with the neon 2s ionization potential for calibration, 1s ionization potentials have been determined for CF/sub 4/ (C = 301.96, F = 695.57), CO/sub 2/ (C = 297.71, O = 541.32), N/sub 2/ (N = 409.93) and ionization potentials for Ar (2s = 326.37, 2p/sub /sup 3///sub 2// = 248.60, 2p/sub /sup 1///sub 2// = 250.70). These are known with an accuracy of 0.05 eV. The results are in good agreement with those of other measurements but have significantly smaller uncertainties. Comparison is made between experimental and theoretical ionization potentials. The value for neon is quite close to a recently reported theoretical value of 870.0 eV. The relativistic corrections for a cylindrical mirror analyzer, which are much smaller at low energies than would be expected from an approximate formula, are discussed.

Ionization Energy: Implications of Preservice Teachers' Conceptions

Science.gov (United States)

Tan, Kim Chwee Daniel; Taber, Keith S.

2009-01-01

The results from a study to explore pre-service teachers' understanding of ionization energy, a topic that features in A-level (grade 11 and 12) chemistry courses. in Singapore , is described. A previous study using a two-tier multiple choice diagnostic test has shown that Singapore A-level students have considerable difficulty understanding the…

Double electron ionization in Compton scattering of high energy photons by helium atoms

International Nuclear Information System (INIS)

Amusia, M.Y.; Mikhailov, A.I.

1995-01-01

The cross section for double-electron ionization of two-electron atoms and ions in Compton scattering of high energy photons is calculated. It is demonstrated that its dependence on the incoming photon frequency is the same as that for single-electron ionization. The ratio of open-quotes double-to-singleclose quotes ionization in Compton scattering was found to be energy independent and almost identical with the corresponding value for photoionization. For the He atom it is 1.68%. This surprising result deserves experimental verification

Double electron ionization in Compton scattering of high energy photons by helium atoms

Energy Technology Data Exchange (ETDEWEB)

Amusia, M.Y.; Mikhailov, A.I. [St. Petersburg Nuclear Physics Institute, Gatchina (Russian Federation)

1995-08-01

The cross section for double-electron ionization of two-electron atoms and ions in Compton scattering of high energy photons is calculated. It is demonstrated that its dependence on the incoming photon frequency is the same as that for single-electron ionization. The ratio of {open_quotes}double-to-single{close_quotes} ionization in Compton scattering was found to be energy independent and almost identical with the corresponding value for photoionization. For the He atom it is 1.68%. This surprising result deserves experimental verification.

Efficient adiabatic hydrodynamical simulations of the high-redshift intergalactic medium

Science.gov (United States)

Gaikwad, Prakash; Choudhury, Tirthankar Roy; Srianand, Raghunathan; Khaire, Vikram

2018-02-01

We present a post-processing tool for GADGET-2 adiabatic simulations to model various observed properties of the Ly α forest at 2.5 ≤ z ≤ 4 that enables an efficient parameter estimation. In particular, we model the thermal and ionization histories that are not computed self-consistently by default in GADGET-2. We capture the effect of pressure smoothing by running GADGET-2 at an elevated temperature floor and using an appropriate smoothing kernel. We validate our procedure by comparing different statistics derived from our method with those derived using self-consistent simulations with GADGET-3. These statistics are: line-of-sight density field power spectrum, flux probability distribution function, flux power spectrum, wavelet statistics, curvature statistics, H I column density (N_{H I}) distribution function, linewidth (b) distribution and b versus log N_{H I} scatter. For the temperature floor of 104 K and typical signal-to-noise ratio of 25, the results agree well within 20 per cent of the self-consistent GADGET-3 simulation. However, this difference is smaller than the expected 1σ sample variance for an absorption path length of ˜5.35 at z = 3. Moreover for a given cosmology, we gain a factor of ˜N in computing time for modelling the intergalactic medium under N ≫ 1 different thermal histories. In addition, our method allows us to simulate the non-equilibrium evolution of thermal and ionization state of the gas and include heating due to non-standard sources like cosmic rays and high-energy γ-rays from Blazars.

Adiabatic compression and radiative compression of magnetic fields

International Nuclear Information System (INIS)

Woods, C.H.

1980-01-01

Flux is conserved during mechanical compression of magnetic fields for both nonrelativistic and relativistic compressors. However, the relativistic compressor generates radiation, which can carry up to twice the energy content of the magnetic field compressed adiabatically. The radiation may be either confined or allowed to escape

Effects of different aging statuses and strain rate on the adiabatic shear susceptibility of 2195 aluminum–lithium alloy

International Nuclear Information System (INIS)

Yang, Y.; Tan, G.Y.; Chen, P.X.; Zhang, Q.M.

2012-01-01

The adiabatic shear susceptibility of 2195 aluminum–lithium alloy was investigated by means of split Hopkinson pressure bar. The stress collapse in true stress–true strain curves and true stress–time curves was observed. The adiabatic shear susceptibility of different aging statuses and strain rate were discussed by means of metallography observation. The critical strain, stress collapse time and formation energy of adiabatic shear bands were compared. The results show that different aging statuses and strain rate have significant influences on adiabatic shear behaviors of 2195 aluminum–lithium alloy. The peak-aged specimen has the highest adiabatic shearing susceptibility, while the under-aged specimen has the least adiabatic shear susceptibility. The susceptibility of adiabatic shearing increases with the increases of strain rate.

Effects of different aging statuses and strain rate on the adiabatic shear susceptibility of 2195 aluminum-lithium alloy

Energy Technology Data Exchange (ETDEWEB)

Yang, Y. [School of Materials Science and Engineering, Central South University, Changsha 410083, Hunan (China); State Key Laboratory of Explosion Science and Technology, Beijing 100081 (China); Tan, G.Y., E-mail: yangyanggroup@163.com [School of Materials Science and Engineering, Central South University, Changsha 410083, Hunan (China); Chen, P.X. [School of Materials Science and Engineering, Central South University, Changsha 410083, Hunan (China); Zhang, Q.M. [State Key Laboratory of Explosion Science and Technology, Beijing 100081 (China)

2012-06-01

The adiabatic shear susceptibility of 2195 aluminum-lithium alloy was investigated by means of split Hopkinson pressure bar. The stress collapse in true stress-true strain curves and true stress-time curves was observed. The adiabatic shear susceptibility of different aging statuses and strain rate were discussed by means of metallography observation. The critical strain, stress collapse time and formation energy of adiabatic shear bands were compared. The results show that different aging statuses and strain rate have significant influences on adiabatic shear behaviors of 2195 aluminum-lithium alloy. The peak-aged specimen has the highest adiabatic shearing susceptibility, while the under-aged specimen has the least adiabatic shear susceptibility. The susceptibility of adiabatic shearing increases with the increases of strain rate.

Field-dependent molecular ionization and excitation energies: Implications for electrically insulating liquids

Directory of Open Access Journals (Sweden)

N. Davari

2014-03-01

Full Text Available The molecular ionization potential has a relatively strong electric-field dependence as compared to the excitation energies which has implications for electrical insulation since the excited states work as an energy sink emitting light in the UV/VIS region. At some threshold field, all the excited states of the molecule have vanished and the molecule is a two-state system with the ground state and the ionized state, which has been hypothesized as a possible origin of different streamer propagation modes. Constrained density-functional theory is used to calculate the field-dependent ionization potential of different types of molecules relevant for electrically insulating liquids. The low singlet-singlet excitation energies of each molecule have also been calculated using time-dependent density functional theory. It is shown that low-energy singlet-singlet excitation of the type n → π* (lone pair to unoccupied π* orbital has the ability to survive at higher fields. This type of excitation can for example be found in esters, diketones and many color dyes. For alkanes (as for example n-tridecane and cyclohexane on the other hand, all the excited states, in particular the σ → σ* excitations vanish in electric fields higher than 10 MV/cm. Further implications for the design of electrically insulating dielectric liquids based on the molecular ionization potential and excitation energies are discussed.

Adiabatic capture and debunching

International Nuclear Information System (INIS)

Ng, K.Y.

2012-01-01

In the study of beam preparation for the g-2 experiment, adiabatic debunching and adiabatic capture are revisited. The voltage programs for these adiabbatic processes are derived and their properties discussed. Comparison is made with some other form of adiabatic capture program. The muon g-2 experiment at Fermilab calls for intense proton bunches for the creation of muons. A booster batch of 84 bunches is injected into the Recycler Ring, where it is debunched and captured into 4 intense bunches with the 2.5-MHz rf. The experiment requires short bunches with total width less than 100 ns. The transport line from the Recycler to the muon-production target has a low momentum aperture of ∼ ±22 MeV. Thus each of the 4 intense proton bunches required to have an emittance less than ∼ 3.46 eVs. The incoming booster bunches have total emittance ∼ 8.4 eVs, or each one with an emittance ∼ 0.1 eVs. However, there is always emittance increase when the 84 booster bunches are debunched. There will be even larger emittance increase during adiabatic capture into the buckets of the 2.5-MHz rf. In addition, the incoming booster bunches may have emittances larger than 0.1 eVs. In this article, we will concentrate on the analysis of the adiabatic capture process with the intention of preserving the beam emittance as much as possible. At this moment, beam preparation experiment is being performed at the Main Injector. Since the Main Injector and the Recycler Ring have roughly the same lattice properties, we are referring to adiabatic capture in the Main Injector instead in our discussions.

ASYMPT - a program to calculate asymptotics of hyperspherical potential curves and adiabatic potentials

International Nuclear Information System (INIS)

Abrashkevich, A.G.; Puzynin, I.V.; Vinitskij, S.I.

1997-01-01

A FORTRAN 77 program is presented which calculates asymptotics of potential curves and adiabatic potentials with an accuracy of O(ρ -2 ) in the framework of the hyperspherical adiabatic (HSA) approach. It is shown that matrix elements of the equivalent operator corresponding to the perturbation ρ -2 have a simple form in the basis of the Coulomb parabolic functions in the body-fixed frame and can be easily computed for high values of total orbital momentum and threshold number. The second-order corrections to the adiabatic curves are obtained as the solutions of the corresponding secular equation. The asymptotic potentials obtained can be used for the calculation of the energy levels and radial wave functions of two-electron systems in the adiabatic and coupled-channel approximations of the HSA approach

Adiabatic quantum computing

OpenAIRE

Lobe, Elisabeth; Stollenwerk, Tobias; Tröltzsch, Anke

2015-01-01

In the recent years, the field of adiabatic quantum computing has gained importance due to the advances in the realisation of such machines, especially by the company D-Wave Systems. These machines are suited to solve discrete optimisation problems which are typically very hard to solve on a classical computer. Due to the quantum nature of the device it is assumed that there is a substantial speedup compared to classical HPC facilities. We explain the basic principles of adiabatic ...

Adiabatic Quantum Transistors

Directory of Open Access Journals (Sweden)

Dave Bacon

2013-06-01

Full Text Available We describe a many-body quantum system that can be made to quantum compute by the adiabatic application of a large applied field to the system. Prior to the application of the field, quantum information is localized on one boundary of the device, and after the application of the field, this information propagates to the other side of the device, with a quantum circuit applied to the information. The applied circuit depends on the many-body Hamiltonian of the material, and the computation takes place in a degenerate ground space with symmetry-protected topological order. Such “adiabatic quantum transistors” are universal adiabatic quantum computing devices that have the added benefit of being modular. Here, we describe this model, provide arguments for why it is an efficient model of quantum computing, and examine these many-body systems in the presence of a noisy environment.

A Phase Matching, Adiabatic Accelerator

Energy Technology Data Exchange (ETDEWEB)

Lemery, Francois [Hamburg U.; Flöttmann, Klaus [DESY; Kärtner, Franz [CFEL, Hamburg; Piot, Philippe [Northern Illinois U.

2017-05-01

Tabletop accelerators are a thing of the future. Reducing their size will require scaling down electromagnetic wavelengths; however, without correspondingly high field gradients, particles will be more susceptible to phase-slippage – especially at low energy. We investigate how an adiabatically-tapered dielectric-lined waveguide could maintain phase-matching between the accelerating mode and electron bunch. We benchmark our simple model with CST and implement it into ASTRA; finally we provide a first glimpse into the beam dynamics in a phase-matching accelerator.

New method of ionization energy calculation for two-electron ions

International Nuclear Information System (INIS)

Ershov, D.K.

1997-01-01

A new method for calculation of the ionization energy of two-electron ions is proposed. The method is based on the calculation of the energy of second electron interaction with the field of an one-electron ion the potential of which is well known

Ion Motion in the Adiabatic Focuser

International Nuclear Information System (INIS)

Henestroza, E.; Sessler, A.M.; Yu, S.S.

2006-01-01

In this paper we numerically study the effect of ion motion in an adiabatic focuser, motivated by a recent suggestion that ion motion in an adiabatic focuser might be significant and even preclude operation of the focuser as previously envisioned. It is shown that despite ion motion the adiabatic focuser should work as well as originally envisioned

Adiabatic theory of nonlinear electron cyclotron resonance heating

International Nuclear Information System (INIS)

Kotel'nikov, I.A.; Stupakov, G.V.

1989-01-01

Plasma heating at electron frequency by an ordinary wave propagating at right angle to unidirectional magnetic field is treated. Injected microwave power is assumed to be so large that relativistic change of electron gyrofrequency during one flight thorugh the wave beam is much greater than inverse time of flight. The electron motion in the wave field is described using Hamiltonian formalism in adiabatic approximation. It is shown that energy coupling from the wave to electrons is due to a bifurcation of electron trajectory which results in a jumpm of the adiabatic invariant. The probability of bifurcational transition from one trajectory to another is calculated analytically and is used for the estimation of the beam power absorbed in plasma. 6 refs.; 2 figs

Non-adiabatic stability analysis of current and magnetic curvature driven modes in cold plasmas penetrated by neutral gas

International Nuclear Information System (INIS)

Ohlsson, D.

1978-08-01

Previous stability theories concerning electrostatic current and magnetic curvature driven modes in cold plasma mantle boundary layers are generalized. In particular the commonly used adiabatic approximation is relaxed. In the general theory presented important new effects associated with heat conduction, ionization and ohmic heating are found. In combination with viscosity and resistivity these effects introduce additional stabilizing as well as destabilizing effects. Furthermore the present theory typically predicts similar stability properties as the adiabatic theory in the limit |d(1nT)/d(1nn)| >1 the general theory predicts less favourable stability properties. One may speculate that these conclusions also apply to more general types of electrostatic modes associated with density and temperature gradients in cold plasma mantel boundary layers. (author)

Analysis of laser ablation: Contribution of ionization energy to the plasma and shock wave properties

International Nuclear Information System (INIS)

Wen, S.-B.; Mao Xianglei; Greif, Ralph; Russo, Richard E.

2007-01-01

By fitting simulation results with experimentally measured trajectories of the shock wave and the vapor/background gas contact surface, we found that inclusion of ionization energy in the analysis leads to a change in the evolution of the pressure, mass density, electron number density, and temperature of the vapor plume. The contribution of ionization energy to both the plasma and shock wave has been neglected in most studies of laser ablation. Compared to previous simulations, the densities, pressures, and temperatures are lower shortly after the laser pulse ( 50 ns). The predicted laser energy conversion ratio also showed about a 20% increase (from 35% to 45%) when the ionization energy is considered. The changes in the evolution of the physical quantities result from the retention of the ionization energy in the vapor plume, which is then gradually transformed to kinetic and thermal energies. When ionization energy is included in the simulation, the vapor plume attains higher expansion speeds and temperatures for a longer time after the laser pulse. The better determination of the temperature history of the vapor plume not only improves the understanding of the expansion process of the laser induced vapor plume but also is important for chemical analysis. The accurate temperature history provides supplementary information which enhances the accuracy of chemical analysis based on spectral emission measurements (e.g., laser induced breakdown spectroscopy)

Free radical production by high energy shock waves--comparison with ionizing irradiation.

Science.gov (United States)

Morgan, T R; Laudone, V P; Heston, W D; Zeitz, L; Fair, W R

1988-01-01

Fricke chemical dosimetry is used as an indirect measure of the free radical production of ionizing irradiation. We adapted the Fricke ferrous sulfate radiation dosimeter to examine the chemical effects of high energy shock waves. Significant free radical production was documented. The reaction was dose dependent, predictably increased by acoustic impedance, but curvilinear. A thousand shocks at 18 kilovolts induced the same free radical oxidation as 1100 rad cobalt-60 gamma ionizing irradiation, increasing to 2900 rad in the presence of an air-fluid zone of acoustic impedance. The biological effect of these free radicals was compared to that of cobalt-60 ionizing irradiation by measuring the affect on Chinese hamster cells by clonogenic assay. While cobalt-60 irradiation produced a marked decrease in clonogenic survivors, little effect was noted with high energy shock waves. This suggested that the chemical effects produced by shock waves were either absent or attenuated in the cells, or were inherently less toxic than those of ionizing irradiation.

Basic concepts in dosimetry. A critical analysis of the concepts of ionizing radiation and energy imparted

International Nuclear Information System (INIS)

Carlson, G.A.

1978-01-01

The concepts of ionizing radiation and energy imparted defined by the ICRU in 1971 (Radiation Quantities and Units, Report 19, International Commission on Radiation Units and Measurements, Washington, D.C., 1971) are critically analyzed. It is found that the definitions become more consistent by changing them at two points. Charged particles with insufficient kinetic energy to ionize by collision but which are capable of initiating nuclear and elementary particle transformations are suggested to be classified as ionizing particles. In addition, the expressions ''the energy released'' or the ''energy expended'' in a nuclear or elementary particle transformation are suggested to be specified as ''the change in rest-mass energy of nuclei and elementary particles.'' Then the ionization caused by, for instance, nuclear reactions contributes to the energy imparted and the Q-value of an excitation or deexcitation of the electron structure, regarded as an elementary particle transformation, is zero

Adiabatic CMB perturbations in pre-big bang string cosmology

DEFF Research Database (Denmark)

Enqvist, Kari; Sloth, Martin Snoager

2001-01-01

We consider the pre-big bang scenario with a massive axion field which starts to dominate energy density when oscillating in an instanton-induced potential and subsequently reheats the universe as it decays into photons, thus creating adiabatic CMB perturbations. We find that the fluctuations...

Monte carlo calculation of energy deposition and ionization yield for high energy protons

International Nuclear Information System (INIS)

Wilson, W.E.; McDonald, J.C.; Coyne, J.J.; Paretzke, H.G.

1985-01-01

Recent calculations of event size spectra for neutrons use a continuous slowing down approximation model for the energy losses experienced by secondary charged particles (protons and alphas) and thus do not allow for straggling effects. Discrepancies between the calculations and experimental measurements are thought to be, in part, due to the neglect of straggling. A tractable way of including stochastics in radiation transport calculations is via the Monte Carlo method and a number of efforts directed toward simulating positive ion track structure have been initiated employing this technique. Recent results obtained with our updated and extended MOCA code for charged particle track structure are presented here. Major emphasis has been on calculating energy deposition and ionization yield spectra for recoil proton crossers since they are the most prevalent event type at high energies (>99% at 14 MeV) for small volumes. Neutron event-size spectra can be obtained from them by numerical summing and folding techniques. Data for ionization yield spectra are presented for simulated recoil protons up to 20 MeV in sites of diameters 2-1000 nm

Electron ionization and the Compton effect in double ionization of helium

International Nuclear Information System (INIS)

Samson, J.

1994-01-01

The author discusses ionization phenomena in helium, both photoionization and electron ionization. In particular he compares double ionization cross sections with total cross sections, as a function of electron energy, and photon energy. Data is discussed over the energy range up to 10 keV

S-wave Qanti Qqanti q states in the adiabatic approximation

Energy Technology Data Exchange (ETDEWEB)

Chao, K T [Oxford Univ. (UK). Dept. of Theoretical Physics

1981-06-01

The static potential energy for an S-wave Qanti Qqanti q system is discussed in an adiabatic (Born-Oppenheimer) approximation. Both spherical bag and arbitrary bag are considered. We concentrate on those Qanti Qqanti q states in which both (Qanti Q) and (qanti q) are colour singlets. Their energy level, wave function, and possible experimental observation are studied.

Interatomic methods for the dispersion energy derived from the adiabatic connection fluctuation-dissipation theorem

Science.gov (United States)

Tkatchenko, Alexandre; Ambrosetti, Alberto; DiStasio, Robert A.

2013-02-01

Interatomic pairwise methods are currently among the most popular and accurate ways to include dispersion energy in density functional theory calculations. However, when applied to more than two atoms, these methods are still frequently perceived to be based on ad hoc assumptions, rather than a rigorous derivation from quantum mechanics. Starting from the adiabatic connection fluctuation-dissipation (ACFD) theorem, an exact expression for the electronic exchange-correlation energy, we demonstrate that the pairwise interatomic dispersion energy for an arbitrary collection of isotropic polarizable dipoles emerges from the second-order expansion of the ACFD formula upon invoking the random-phase approximation (RPA) or the full-potential approximation. Moreover, for a system of quantum harmonic oscillators coupled through a dipole-dipole potential, we prove the equivalence between the full interaction energy obtained from the Hamiltonian diagonalization and the ACFD-RPA correlation energy. This property makes the Hamiltonian diagonalization an efficient method for the calculation of the many-body dispersion energy. In addition, we show that the switching function used to damp the dispersion interaction at short distances arises from a short-range screened Coulomb potential, whose role is to account for the spatial spread of the individual atomic dipole moments. By using the ACFD formula, we gain a deeper understanding of the approximations made in the interatomic pairwise approaches, providing a powerful formalism for further development of accurate and efficient methods for the calculation of the dispersion energy.

Adiabatic temperature change from non-adiabatic measurements

Czech Academy of Sciences Publication Activity Database

Carvalho, A.M.G.; Mejía, C.S.; Ponte, C.A.; Silva, L.E.L.; Kaštil, Jiří; Kamarád, Jiří; Gomes, A.M.

2016-01-01

Roč. 122, č. 3 (2016), s. 1-5, č. článku 246. ISSN 0947-8396 Institutional support: RVO:68378271 Keywords : magnetocaloric effect * adiabatic temperature change * calorimetric device * gadolinium Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.455, year: 2016

A MEASUREMENT OF THE ADIABATIC COOLING INDEX FOR INTERSTELLAR HELIUM PICKUP IONS IN THE INNER HELIOSPHERE

International Nuclear Information System (INIS)

Saul, Lukas; Wurz, Peter; Kallenbach, Reinald

2009-01-01

Interstellar neutral gas enters the inner heliosphere where it is ionized and becomes the pickup ion population of the solar wind. It is often assumed that this population will subsequently cool adiabatically, like an expanding ideal gas due, to the divergent flow of the solar wind. Here, we report the first independent measure of the effective adiabatic cooling index in the inner heliosphere from SOHO CELIAS measurements of singly charged helium taken during times of perpendicular interplanetary magnetic field. We use a simple adiabatic transport model of interstellar pickup helium ions, valid for the upwind region of the inner heliosphere. The time averaged velocity spectrum of helium pickup ions measured by CELIAS/CTOF is fit to this model with a single free parameter which indicates an effective cooling rate with a power-law index of γ = 1.35 ± 0.2. While this average is consistent with the 'ideal-gas' assumption of γ = 1.5, the analysis indicates that such an assumption will not apply in general, and that due to observational constraints further measurements are necessary to constrain the cooling process. Implications are discussed for understanding the transport processes in the inner heliosphere and improving this measurement technique.

Energy Balance for a Sonoluminescence Bubble Yields a Measure of Ionization Potential Lowering

Science.gov (United States)

Kappus, B.; Bataller, A.; Putterman, S. J.

2013-12-01

Application of energy conservation between input sound and the microplasma which forms at the moment of sonoluminescence places bounds on the process, whereby the gas is ionized. Detailed pulsed Mie scattering measurements of the radius versus time for a xenon bubble in sulfuric acid provide a complete characterization of the hydrodynamics and minimum radius. For a range of emission intensities, the blackbody spectrum emitted during collapse matches the minimum bubble radius, implying opaque conditions are attained. This requires a degree of ionization >36%. Analysis reveals only 2.1±0.6eV/atom of energy available during light emission. In order to unbind enough charge, collective processes must therefore reduce the ionization potential by at least 75%. We interpret this as evidence that a phase transition to a highly ionized plasma is occurring during sonoluminescence.

One-photon mass-analyzed threshold ionization (MATI) spectroscopy of pyridine: Determination of accurate ionization energy and cationic structure

Energy Technology Data Exchange (ETDEWEB)

Lee, Yu Ran; Kang, Do Won; Kim, Hong Lae, E-mail: chkwon@kangwon.ac.kr, E-mail: hlkim@kangwon.ac.kr; Kwon, Chan Ho, E-mail: chkwon@kangwon.ac.kr, E-mail: hlkim@kangwon.ac.kr [Department of Chemistry and Institute for Molecular Science and Fusion Technology, College of Natural Sciences, Kangwon National University, Chuncheon 200-701 (Korea, Republic of)

2014-11-07

Ionization energies and cationic structures of pyridine were intensively investigated utilizing one-photon mass-analyzed threshold ionization (MATI) spectroscopy with vacuum ultraviolet radiation generated by four-wave difference frequency mixing in Kr. The present one-photon high-resolution MATI spectrum of pyridine demonstrated a much finer and richer vibrational structure than that of the previously reported two-photon MATI spectrum. From the MATI spectrum and photoionization efficiency curve, the accurate ionization energy of the ionic ground state of pyridine was confidently determined to be 73 570 ± 6 cm{sup −1} (9.1215 ± 0.0007 eV). The observed spectrum was almost completely assigned by utilizing Franck-Condon factors and vibrational frequencies calculated through adjustments of the geometrical parameters of cationic pyridine at the B3LYP/cc-pVTZ level. A unique feature unveiled through rigorous analysis was the prominent progression of the 10 vibrational mode, which corresponds to in-plane ring bending, and the combination of other totally symmetric fundamentals with the ring bending overtones, which contribute to the geometrical change upon ionization. Notably, the remaining peaks originate from the upper electronic state ({sup 2}A{sub 2}), as predicted by high-resolution photoelectron spectroscopy studies and symmetry-adapted cluster configuration interaction calculations. Based on the quantitatively good agreement between the experimental and calculated results, it was concluded that upon ionization the pyridine cation in the ground electronic state should have a planar structure of C{sub 2v} symmetry through the C-N axis.

Electron propagator calculations on the ionization energies of CrH -, MnH - and FeH -

Science.gov (United States)

Lin, Jyh-Shing; Ortiz, J. V.

1990-08-01

Electron propagator calculations with unrestricted Hartree-Fock reference states yield the ionization energies of the title anions. Spin contamination in the anionic reference state is small, enabling the use of second-and third-order self-energies in the Dyson equation. Feynman-Dyson amplitudes for these ionizations are essentially identical to canonical spin-orbitals. For most of the final states, these consist of an antibonding combination of an sp metal hybrid, polarized away from the hydrogen, and hydroegen s functions. In one case, the Feynman-Dyson amplitude consists of nonbonding d functions. Calculated ionization energies are within 0.5 eV of experiment.

Electronic structures of elements according to ionization energies.

Science.gov (United States)

Zadeh, Dariush H

2017-11-28

The electronic structures of elements in the periodic table were analyzed using available experimental ionization energies. Two new parameters were defined to carry out the study. The first parameter-apparent nuclear charge (ANC)-quantified the overall charge of the nucleus and inner electrons observed by an outer electron during the ionization process. This parameter was utilized to define a second parameter, which presented the shielding ability of an electron against the nuclear charge. This second parameter-electron shielding effect (ESE)-provided an insight into the electronic structure of atoms. This article avoids any sort of approximation, interpolation or extrapolation. First experimental ionization energies were used to obtain the two aforementioned parameters. The second parameter (ESE) was then graphed against the electron number of each element, and was used to read the corresponding electronic structure. The ESE showed spikes/peaks at the end of each electronic shell, providing insight into when an electronic shell closes and a new one starts. The electronic structures of elements in the periodic table were mapped using this methodology. These graphs did not show complete agreement with the previously known "Aufbau" filling rule. A new filling rule was suggested based on the present observations. Finally, a new way to organize elements in the periodic table is suggested. Two earlier topics of effective nuclear charge, and shielding factor were also briefly discussed and compared numerically to demonstrate the capability of the new approach.

Free-air ionization chamber, FAC-IR-300, designed for medium energy X-ray dosimetry

International Nuclear Information System (INIS)

Mohammadi, S.M.; Tavakoli-Anbaran, H.; Zeinali, H.Z.

2017-01-01

The primary standard for X-ray photons is based on parallel-plate free-air ionization chamber (FAC). Therefore, the Atomic Energy Organization of Iran (AEOI) is tried to design and build the free-air ionization chamber, FAC-IR-300, for low and medium energy X-ray dosimetry. The main aim of the present work is to investigate specification of the FAC-IR-300 ionization chamber and design it. FAC-IR-300 dosimeter is composed of two parallel plates, a high voltage (HV) plate and a collector plate, along with a guard electrode that surrounds the collector plate. The guard plate and the collector were separated by an air gap. For obtaining uniformity in the electric field distribution, a group of guard strips was used around the ionization chamber. These characterizations involve determining the exact dimensions of the ionization chamber by using Monte Carlo simulation and introducing correction factors.

Understanding the reaction between muonium atoms and hydrogen molecules: zero point energy, tunnelling, and vibrational adiabaticity

Science.gov (United States)

Aldegunde, J.; Jambrina, P. G.; García, E.; Herrero, V. J.; Sáez-Rábanos, V.; Aoiz, F. J.

2013-11-01

The advent of very precise measurements of rate coefficients in reactions of muonium (Mu), the lightest hydrogen isotope, with H2 in its ground and first vibrational state and of kinetic isotope effects with respect to heavier isotopes has triggered a renewed interests in the field of muonic chemistry. The aim of the present article is to review the most recent results about the dynamics and mechanism of the reaction Mu+H2 to shed light on the importance of quantum effects such as tunnelling, the preservation of the zero point energy, and the vibrational adiabaticity. In addition to accurate quantum mechanical (QM) calculations, quasiclassical trajectories (QCT) have been run in order to check the reliability of this method for this isotopic variant. It has been found that the reaction with H2(v=0) is dominated by the high zero point energy (ZPE) of the products and that tunnelling is largely irrelevant. Accordingly, both QCT calculations that preserve the products' ZPE as well as those based on the Ring Polymer Molecular Dynamics methodology can reproduce the QM rate coefficients. However, when the hydrogen molecule is vibrationally excited, QCT calculations fail completely in the prediction of the huge vibrational enhancement of the reactivity. This failure is attributed to tunnelling, which plays a decisive role breaking the vibrational adiabaticity when v=1. By means of the analysis of the results, it can be concluded that the tunnelling takes place through the ν1=1 collinear barrier. Somehow, the tunnelling that is missing in the Mu+H2(v=0) reaction is found in Mu+H2(v=1).

Adiabatic Compressed Air Energy Storage with packed bed thermal energy storage

International Nuclear Information System (INIS)

Barbour, Edward; Mignard, Dimitri; Ding, Yulong; Li, Yongliang

2015-01-01

Highlights: • The paper presents a thermodynamic analysis of A-CAES using packed bed regenerators. • The packed beds are used to store the compression heat. • A numerical model is developed, validated and used to simulate system operation. • The simulated efficiencies are between 70.5% and 71.1% for continuous operation. • Heat build-up in the beds reduces continuous cycle efficiency slightly. - Abstract: The majority of articles on Adiabatic Compressed Air Energy Storage (A-CAES) so far have focussed on the use of indirect-contact heat exchangers and a thermal fluid in which to store the compression heat. While packed beds have been suggested, a detailed analysis of A-CAES with packed beds is lacking in the available literature. This paper presents such an analysis. We develop a numerical model of an A-CAES system with packed beds and validate it against analytical solutions. Our results suggest that an efficiency in excess of 70% should be achievable, which is higher than many of the previous estimates for A-CAES systems using indirect-contact heat exchangers. We carry out an exergy analysis for a single charge–storage–discharge cycle to see where the main losses are likely to transpire and we find that the main losses occur in the compressors and expanders (accounting for nearly 20% of the work input) rather than in the packed beds. The system is then simulated for continuous cycling and it is found that the build-up of leftover heat from previous cycles in the packed beds results in higher steady state temperature profiles of the packed beds. This leads to a small reduction (<0.5%) in efficiency for continuous operation

Microscopic theory of warm ionized gases: equation of state and kinetic Schottky anomaly

International Nuclear Information System (INIS)

Capolupo, A; Giampaolo, S M; Illuminati, F

2013-01-01

Based on accurate Lennard-Jones type interaction potentials, we derive a closed set of state equations for the description of warm atomic gases in the presence of ionization processes. The specific heat is predicted to exhibit peaks in correspondence to single and multiple ionizations. Such kinetic analogue in atomic gases of the Schottky anomaly in solids is enhanced at intermediate and low atomic densities. The case of adiabatic compression of noble gases is analyzed in detail and the implications on sonoluminescence are discussed.

Piecewise adiabatic following in non-Hermitian cycling

Science.gov (United States)

Gong, Jiangbin; Wang, Qing-hai

2018-05-01

The time evolution of periodically driven non-Hermitian systems is in general nonunitary but can be stable. It is hence of considerable interest to examine the adiabatic following dynamics in periodically driven non-Hermitian systems. We show in this work the possibility of piecewise adiabatic following interrupted by hopping between instantaneous system eigenstates. This phenomenon is first observed in a computational model and then theoretically explained, using an exactly solvable model, in terms of the Stokes phenomenon. In the latter case, the piecewise adiabatic following is shown to be a genuine critical behavior and the precise phase boundary in the parameter space is located. Interestingly, the critical boundary for piecewise adiabatic following is found to be unrelated to the domain for exceptional points. To characterize the adiabatic following dynamics, we also advocate a simple definition of the Aharonov-Anandan (AA) phase for nonunitary cyclic dynamics, which always yields real AA phases. In the slow driving limit, the AA phase reduces to the Berry phase if adiabatic following persists throughout the driving without hopping, but oscillates violently and does not approach any limit in cases of piecewise adiabatic following. This work exposes the rich features of nonunitary dynamics in cases of slow cycling and should stimulate future applications of nonunitary dynamics.

[Ionization energies and infrared spectra studies of histidine using density functional theory].

Science.gov (United States)

Hu, Qiong; Wang, Guo-Ying; Liu, Gang; Ou, Jia-Ming; Wang, Rui-Li

2010-05-01

Histidines provide axial ligands to the primary electron donors in photosynthetic reaction centers (RCs) and play an important role in the protein environments of these donors. In this paper the authors present a systematic study of ionization energies and vibrational properties of histidine using hybrid density functional theory (DFT). All calculations were undertaken by using B3LYP method in combination with four basis sets: 6-31G(d), 6-31G(df, p), 6-31+G(d) and 6-311+G(2d, 2p) with the aim to investigate how the basis sets influence the calculation results. To investigate solvent effects and gain a detailed understanding of marker bands of histidine, the ionization energies of histidine and the vibrational frequencies of histidine which are unlabeled and 13C, 15N, and 2H labeled in the gas phase, CCl4, protein environment, THF and water solution, which span a wide range of dielectric constant, were also calculated. Our results showed that: (1) The main geometry parameters of histidine were impacted by basis sets and mediums, and C2-N3 and N3-C4 bond of imidazole ring of histidine side chain display the maximum bond lengths in the gas phase; (2) single point energies and frequencies calculated were decreased while ionization energies increased with the increasing level of basis sets and diffuse function applied in the same solvent; (3) with the same computational method, the higher the dielectric constant of the solvent used, the lower the ionization energy and vibrational frequency and the higher the intensity obtained. In addition, calculated ionization energy in the gas phase and marker bands of histidine as well as frequency shift upon 13C and 15N labeling at the computationally more expensive 6-311+G(2d, 2p) level are in good agreement with experimental observations available in literatures. All calculations indicated that the results calculated by using higher level basis set with diffuse function were more accurate and closer to the experimental value. In

Specific Effects of Ionizing Energy on the Displacement Damage Calculation in Insulators

International Nuclear Information System (INIS)

Vila, R.; Mota, F.; Ortiz, C. J.

2012-01-01

The level of damage expected in functional materials for future fusion reactors is generally much lower than structural materials, but the degradation of their physical properties is also generally observed at very low dose levels compared to the latter. Normally the properties of interest (DC Electrical resistivity, HF dielectric absorption, optical transmission etc.) degrade long before mechanical integrity is an issue. This weakness is in part related to the more important effects of ionizing energy on both, covalent and ionic, insulators or semiconductors. As irradiation in fission and fusion reactors (even spallation sources) also involves the participation of gamma radiation, it has to be taken into account for total damage calculation. In the case of ions, the energy partition provides the amount of electronic (ionizing) energy lost in the material. In general and regarding radiation, insulating materials can be divided in two groups depending on whether they experience radiolysis, (i.e. purely ionizing radiation can produce noticeable amounts of atomic displacements) or not. First group includes for example alkali halides and fluorides. But, although radiolysis is negligible in the second group (radiation-hard materials), collateral effects of ionizing radiation have been observed (when combined with displacement damage). Therefore it is important to make some comments about the concept and use of dpa (displacements per atom) in this large family of materials

Ionizing radiation, nuclear energy and radiation protection for school

International Nuclear Information System (INIS)

Lucena, E.A.; Reis, R.G.; Pinho, A.S.; Alves, A.S.; Rio, M.A.P.; Reis, A.A.; Silva, J.W.S.; Paula, G.A. de; Goncalves Junior, M.A.

2017-01-01

Since the discovery of X-rays in 1895, ionizing radiation has been applied in many sectors of society, such as medicine, industry, safety, construction, engineering and research. However, population is unaware of both the applications of ionizing radiation and their risks and benefits. It can be seen that most people associate the terms 'radiation' and 'nuclear energy' with the atomic bomb or cancer, most likely because of warlike applications and the stealthy way radioactivity had been treated in the past. Thus, it is necessary to clarify the population about the main aspects related to the applications, risks and associated benefits. These knowledge can be disseminated in schools. Brazilian legislation for basic education provides for topics such as nuclear energy and radioactivity to high school students. However, some factors hamper such an educational practice, namely, few hours of class, textbooks do not address the subject, previous concepts obtained in the media, difficulty in dealing with the subject in the classroom, phobia, etc. One solution would be the approximation between schools and institutions that employ technologies involving radioactivity, which would allow students to know the practices, associated radiological protection, as well as the risks and benefits to society. Currently, with the increasing application of ionizing radiation, especially in medicine, it is necessary to demystify the use of radioactivity. (author)

Theoretical study of the electronic structure of KLi molecule: Adiabatic and diabatic potential energy curves and dipole moments

International Nuclear Information System (INIS)

Dardouri, Riadh; Habli, Héla; Oujia, Brahim; Gadéa, Florent Xavier

2012-01-01

Graphical abstract: We present the resulting 12 1 Σ + diabatic potential energy curves where they are labeled D 1 for the ionic Li − K + and D 2 to D 12 for other. Highlights: ► Our ab initio study has been conducted for 48 electronic states of LiK molecule. ► We use pseudo-potential for the core and large basis sets for the Rydberg states. ► The calculations rely on ab initio pseudo-potential and full valence CI approaches. ► Diabatic potentials are analyzed, revealing the strong imprint of the ionic 1 Σ + state. - Abstract: For all states dissociating below the ionic limit Li − K + , we perform an adiabatic and diabatic study for 1 Σ + electronic states dissociating into K (4s, 4p, 4d, 5s, 5p, 5d, 6s) + Li (2s, 2p, 3s). Furthermore, we present the adiabatic results for the 1–11 3 Σ, 1–8 1,3 Π and 1–4 1,3 Δ states. The present calculations on the KLi molecule are complementary to previous theoretical work on this system, including recently observed electronic states that had not been calculated previously. The calculations rely on an ab initio pseudo-potential, Core Polarization Potential operators for the core–valence correlation and full valence CI approaches, combined to an efficient diabatization procedure. For the low-lying states, our spectroscopic constants and vibrational level spacing are in good agreement with the available experimental data. Diabatic potentials and permanent dipole moments are analyzed, revealing the strong imprint of the ionic state in the 1 Σ + adiabatic states.

Internal energy deposition with silicon nanoparticle-assisted laser desorption/ionization (SPALDI) mass spectrometry

Science.gov (United States)

Dagan, Shai; Hua, Yimin; Boday, Dylan J.; Somogyi, Arpad; Wysocki, Ronald J.; Wysocki, Vicki H.

2009-06-01

The use of silicon nanoparticles for laser desorption/ionization (LDI) is a new appealing matrix-less approach for the selective and sensitive mass spectrometry of small molecules in MALDI instruments. Chemically modified silicon nanoparticles (30 nm) were previously found to require very low laser fluence in order to induce efficient LDI, which raised the question of internal energy deposition processes in that system. Here we report a comparative study of internal energy deposition from silicon nanoparticles to previously explored benzylpyridinium (BP) model compounds during LDI experiments. The internal energy deposition in silicon nanoparticle-assisted laser desorption/ionization (SPALDI) with different fluorinated linear chain modifiers (decyl, hexyl and propyl) was compared to LDI from untreated silicon nanoparticles and from the organic matrix, [alpha]-cyano-4-hydroxycinnamic acid (CHCA). The energy deposition to internal vibrational modes was evaluated by molecular ion survival curves and indicated that the ions produced by SPALDI have an internal energy threshold of 2.8-3.7 eV. This is slightly lower than the internal energy induced using the organic CHCA matrix, with similar molecular survival curves as previously reported for LDI off silicon nanowires. However, the internal energy associated with desorption/ionization from the silicon nanoparticles is significantly lower than that reported for desorption/ionization on silicon (DIOS). The measured survival yields in SPALDI gradually decrease with increasing laser fluence, contrary to reported results for silicon nanowires. The effect of modification of the silicon particle surface with semifluorinated linear chain silanes, including fluorinated decyl (C10), fluorinated hexyl (C6) and fluorinated propyl (C3) was explored too. The internal energy deposited increased with a decrease in the length of the modifier alkyl chain. Unmodified silicon particles exhibited the highest analyte internal energy

Geometry of the Adiabatic Theorem

Science.gov (United States)

Lobo, Augusto Cesar; Ribeiro, Rafael Antunes; Ribeiro, Clyffe de Assis; Dieguez, Pedro Ruas

2012-01-01

We present a simple and pedagogical derivation of the quantum adiabatic theorem for two-level systems (a single qubit) based on geometrical structures of quantum mechanics developed by Anandan and Aharonov, among others. We have chosen to use only the minimum geometric structure needed for the understanding of the adiabatic theorem for this case.…

Thermodynamic analysis of energy conversion and transfer in hybrid system consisting of wind turbine and advanced adiabatic compressed air energy storage

International Nuclear Information System (INIS)

Zhang, Yuan; Yang, Ke; Li, Xuemei; Xu, Jianzhong

2014-01-01

A simulation model consisting of wind speed, wind turbine and AA-CAES (advanced adiabatic compressed air energy storage) system is developed in this paper, and thermodynamic analysis on energy conversion and transfer in hybrid system is carried out. The impacts of stable wind speed and unstable wind speed on the hybrid system are analyzed and compared from the viewpoint of energy conversion and system efficiency. Besides, energy conversion relationship between wind turbine and AA-CAES system is investigated on the basis of process analysis. The results show that there are several different forms of energy in hybrid system, which have distinct conversion relationship. As to wind turbine, power coefficient determines wind energy utilization efficiency, and in AA-CAES system, it is compressor efficiency that mainly affects energy conversion efficiencies of other components. The strength and fluctuation of wind speed have a direct impact on energy conversion efficiencies of components of hybrid system, and within proper wind speed scope, the maximum of system efficiency could be expected. - Highlights: • A hybrid system consisting of wind, wind turbine and AA-CAES system is established. • Energy conversion in hybrid system with stable and unstable wind speed is analyzed. • Maximum efficiency of hybrid system can be reached within proper wind speed scope. • Thermal energy change in hybrid system is more sensitive to wind speed change. • Compressor efficiency can affect other efficiencies in AA-CAES system

Adiabatic partial Siberian snake turn-on with no beam depolarization

International Nuclear Information System (INIS)

Phelps, R.A.; Anferov, V.A.; Chu, C.M.; Courant, E.D.; Crandell, D.A.; Derbenev, Y.S.; Kaufman, W.A.; Koulsha, A.V.; Krisch, A.D.; Nurushev, T.S.; Raczkowksi, D.B.; Sund, S.E.; Wong, V.K.; Caussyn, D.D.; Ellison, T.J.P.; Lee, S.Y.; Sperisen, F.; Stephenson, E.J.; von Przewoski, B.; Baiod, R.; Khiari, F.Z.; Ratner, L.G.; Sato, H.

1994-01-01

A recent experiment in the IUCF cooler ring studied the adiabatic turn-on of a partial Siberian snake at 370 MeV, where the spin tune, ν s is 21/2 for all snake strengths. The snake consisted of two rampable warm solenoid magnets in series with a superconducting solenoid; this combination allowed varying the snake strength between about 0 and 25% at 370 MeV. We measured the beam polaraization after varying the snake either 1, 2, or 10 times; we found with good precision that no polarization was lost. This supports the conjecture that a Siberian snake can be ramped adiabatically at an energy where the spin tune is a half integer

Adiabatic evolution of decoherence-free subspaces and its shortcuts

Science.gov (United States)

Wu, S. L.; Huang, X. L.; Li, H.; Yi, X. X.

2017-10-01

The adiabatic theorem and shortcuts to adiabaticity for time-dependent open quantum systems are explored in this paper. Starting from the definition of dynamical stable decoherence-free subspace, we show that, under a compact adiabatic condition, the quantum state remains in the time-dependent decoherence-free subspace with an extremely high purity, even though the dynamics of the open quantum system may not be adiabatic. The adiabatic condition mentioned here in the adiabatic theorem for open systems is very similar to that for closed quantum systems, except that the operators required to change slowly are the Lindblad operators. We also show that the adiabatic evolution of decoherence-free subspaces depends on the existence of instantaneous decoherence-free subspaces, which requires that the Hamiltonian of open quantum systems be engineered according to the incoherent control protocol. In addition, shortcuts to adiabaticity for adiabatic decoherence-free subspaces are also presented based on the transitionless quantum driving method. Finally, we provide an example that consists of a two-level system coupled to a broadband squeezed vacuum field to show our theory. Our approach employs Markovian master equations and the theory can apply to finite-dimensional quantum open systems.

Adiabatic time-dependent Hartree-Fock theory of collective motion in finite systems

International Nuclear Information System (INIS)

Baranger, M.; Veneroni, M.

1978-01-01

We show how to derive the parameters of a phenomenological collective model from a microscopic theory. The microscopic theory is Hartree-Fock, and we start from the time-dependent Hartree-Fock equation. To this we add the adiabatic approximation, which results in a collective kinetic energy quadratic in the velocities, with coefficients depending on the coordinates, as in the phenomenological models. The crucial step is the decomposition of the single-particle density matrix p in the form exp(i/sub chi/) rho/sub omicron/exp(-i/sub chi/), where rho/sub omicron/ represents a time-even Slater determinant and plays the role of coordinate. Then chi plays the role of momentum, and the adiabatic assumption is that chi is small. The energy is expanded in powers of chi, the zeroth-order being the collective potential energy. The analogy with classical mechanics is stressed and studied. The same adiabatic equations of motion are derived in three different ways (directly, from the Lagrangian, from the Hamiltonian), thus proving the consistency of the theory. The dynamical equation is not necessary for writing the energy or for the subsequent quantization which leads to a Schroedinger equation, but it must be used to check the validity of various approximation schemes, particularly to reduce the problem to a few degrees of freedom. The role of the adiabatic hypothesis, its definition, and range of validity, are analyzed in great detail. It assumes slow motion, but not small amplitude, and is therefore suitable for large-amplitude collective motion. The RPA is obtained as the limiting case where the amplitude is also small. The translational mass is correctly given, and the moment of inertia under rotation is that of Thouless and Valatin. For a quadrupole two-body force, the Baranger-Kumar formalism is recovered. The self-consistency brings additional terms to the Inglis cranking formula. Comparison is also made with generator coordinate methods

Accurate Valence Ionization Energies from Kohn-Sham Eigenvalues with the Help of Potential Adjustors.

Science.gov (United States)

Thierbach, Adrian; Neiss, Christian; Gallandi, Lukas; Marom, Noa; Körzdörfer, Thomas; Görling, Andreas

2017-10-10

An accurate yet computationally very efficient and formally well justified approach to calculate molecular ionization potentials is presented and tested. The first as well as higher ionization potentials are obtained as the negatives of the Kohn-Sham eigenvalues of the neutral molecule after adjusting the eigenvalues by a recently [ Görling Phys. Rev. B 2015 , 91 , 245120 ] introduced potential adjustor for exchange-correlation potentials. Technically the method is very simple. Besides a Kohn-Sham calculation of the neutral molecule, only a second Kohn-Sham calculation of the cation is required. The eigenvalue spectrum of the neutral molecule is shifted such that the negative of the eigenvalue of the highest occupied molecular orbital equals the energy difference of the total electronic energies of the cation minus the neutral molecule. For the first ionization potential this simply amounts to a ΔSCF calculation. Then, the higher ionization potentials are obtained as the negatives of the correspondingly shifted Kohn-Sham eigenvalues. Importantly, this shift of the Kohn-Sham eigenvalue spectrum is not just ad hoc. In fact, it is formally necessary for the physically correct energetic adjustment of the eigenvalue spectrum as it results from ensemble density-functional theory. An analogous approach for electron affinities is equally well obtained and justified. To illustrate the practical benefits of the approach, we calculate the valence ionization energies of test sets of small- and medium-sized molecules and photoelectron spectra of medium-sized electron acceptor molecules using a typical semilocal (PBE) and two typical global hybrid functionals (B3LYP and PBE0). The potential adjusted B3LYP and PBE0 eigenvalues yield valence ionization potentials that are in very good agreement with experimental values, reaching an accuracy that is as good as the best G 0 W 0 methods, however, at much lower computational costs. The potential adjusted PBE eigenvalues result in

Mass analyzed threshold ionization spectroscopy of aza-aromatic bicyclic molecules: Benzimidazole and benzotriazole

International Nuclear Information System (INIS)

Lin, J.L.; Li, Y.C.; Tzeng, W.B.

2007-01-01

We report the vibrationally resolved cation spectra of benzimidazole and benzotriazole, which give the respective adiabatic ionization energies (IEs) to be 67552 ± 5 cm -1 and 70474 ± 5 cm -1 . Comparing these data with that of indole, one finds that the IE of these aza-aromatic bicyclic molecules increases with the number of the N atoms. Most of the active modes of the benzimidazole cation are related to the in-plane ring vibrations. In contrast, the observed spectral bands of the benzotriazole cation correspond to the out-of-plane N2-H and skeleton N1N2N3 bending vibrations. These experimental findings may be attributed to the nature and the N atoms in the five-membered ring

Evaluation of the energy dependence of ionization chambers pencil type calibrated beam tomography standards

International Nuclear Information System (INIS)

Fontes, Ladyjane Pereira; Potiens, Maria da Penha A.

2015-01-01

The Instrument Calibration Laboratory of IPEN (LCI - IPEN) performs calibrations of pencil-type ionization chambers (IC) used in measures of dosimetric survey on clinical systems of Computed Tomography (CT). Many users make mistakes when using a calibrated ionization chamber in their CT dosimetry systems. In this work a methodology for determination of factors of correction for quality (Kq) through the calibration curve that is specific for each ionization chamber was established. Furthermore, it was possible to demonstrate the energy dependence on an pencil-type Ionization Chamber(IC) calibrated at the LCI - IPEN. (author)

Adiabatic approximation in the ultrastrong-coupling regime of an oscillator and two qubits

Energy Technology Data Exchange (ETDEWEB)

Yang, Ping; Zou, Ping [Laboratory of Nanophotonic Functional Materials and Devices, SIPSE and LQIT, South China Normal University, Guangzhou 510006 (China); Zhang, Zhi-Ming, E-mail: zmzhang@scnu.edu.cn [Laboratory of Nanophotonic Functional Materials and Devices, SIPSE and LQIT, South China Normal University, Guangzhou 510006 (China)

2012-10-01

We present a system composed of two flux qubits and a transmission-line resonator. Instead of using the rotating wave approximation (RWA), we analyze the system by the adiabatic approximation methods under two opposite extreme conditions. Basic properties of the system are calculated and compared under these two different conditions. Relative energy-level spectrum of the system in the adiabatic displaced oscillator basis is shown, and the theoretical result is compared with the numerical solution. -- Highlights: ► Our work shows that the adiabatic approximations may work also in the ultrastrong coupling limit. ► Both of the approximation methods are valid in a large range of coupling strength, including the ultrastrong coupling regime. ► The results of the approximate formula meet well the exact numerical solution.

Energy dependence of the air kerma response of a liquid ionization chamber at photon energies between 8 keV and 1250 keV

International Nuclear Information System (INIS)

Hilgers, G.; Bahar-Gogani, J.; Wickman, G.

2002-01-01

Full text: In its recent reports on cardiovascular brachytherapy the DGMP recommends the source strength of brachytherapy sources being characterized in terms of absorbed dose to water at a distance of 2 mm from the central axis of the source. As a consequence, the response of a detector suitable for characterizing such sources with respect to absorbed dose to water should depend only to a small extent on radiation energy. Additionally, the detection volume of the detector has to be sufficiently small for the necessary spatial resolution to be obtained. The liquid ionization chamber as described in seems to be a promising means for this type of measurements. The two components of the ionization liquid (TMS and isooctane) can be mixed in a ratio which ensures that the mass-energy absorption coefficient of the resulting mixture deviates from that of water by less than ±15 % down to photon energies of 10 keV. Due to the high density of the ionization medium, the spacing between the two electrodes of the ionization chamber can be made as small as a few tenths of a millimeter and still the resulting ionization current is sufficiently large. The ionization chamber used in the present investigation is a plane parallel chamber 5 mm in diameter and of 0.3 mm electrode spacing. The ionization medium is a mixture of 40 % TMS and 60 % isooctane. The irradiations were carried out with the ISO wide spectra series with tube voltages between 10 kV and 300 kV and with 137 Cs and 60 Co γ-radiation. As a first step, the response of the liquid ionization chamber was investigated with respect to air kerma instead of absorbed dose to water. Although the mass-energy absorption coefficient of the liquid deviates from that of air by less than ±10 % over the photon energy range, the measured chamber response varies by a factor of about 3.5. Monte Carlo calculations carried out with EGSnrc show a variation of the chamber response smaller than ±20 %. Measurements of the ion yield of the

Surface-ionization field mass-spectrometry studies of nonequilibrium surface ionization

International Nuclear Information System (INIS)

Blashenkov, Nikolai M; Lavrent'ev, Gennadii Ya

2007-01-01

The ionization of polyatomic molecules on tungsten and tungsten oxide surfaces is considered for quasiequilibrium or essentially nonequilibrium conditions (in the latter case, the term nonequilibrium surface ionization is used for adsorbate ionization). Heterogeneous reactions are supposed to proceed through monomolecular decay of polyatomic molecules or fragments of multimolecular complexes. The nonequilibrium nature of these reactions is established. The dependences of the current density of disordered ions on the surface temperature, electric field strength, and ionized particle energy distribution are obtained in analytical form. Heterogeneous dissociation energies, the ionization potentials of radicals, and the magnitude of reaction departure from equilibrium are determined from experimental data, as are energy exchange times between reaction products and surfaces, the number of molecules in molecular complexes, and the number of effective degrees of freedom in molecules and complexes. In collecting the data a new technique relying on surface-ionization field mass-spectrometry was applied. (instruments and methods of investigation)

Fast Atom Ionization in Strong Electromagnetic Radiation

Science.gov (United States)

Apostol, M.

2018-05-01

The Goeppert-Mayer and Kramers-Henneberger transformations are examined for bound charges placed in electromagnetic radiation in the non-relativistic approximation. The consistent inclusion of the interaction with the radiation field provides the time evolution of the wavefunction with both structural interaction (which ensures the bound state) and electromagnetic interaction. It is shown that in a short time after switching on the high-intensity radiation the bound charges are set free. In these conditions, a statistical criterion is used to estimate the rate of atom ionization. The results correspond to a sudden application of the electromagnetic interaction, in contrast with the well-known ionization probability obtained by quasi-classical tunneling through classically unavailable non-stationary states, or other equivalent methods, where the interaction is introduced adiabatically. For low-intensity radiation the charges oscillate and emit higher-order harmonics, the charge configuration is re-arranged and the process is resumed. Tunneling ionization may appear in these circumstances. Extension of the approach to other applications involving radiation-induced charge emission from bound states is discussed, like ionization of molecules, atomic clusters or proton emission from atomic nuclei. Also, results for a static electric field are included.

Symmetry of the Adiabatic Condition in the Piston Problem

Science.gov (United States)

Anacleto, Joaquim; Ferreira, J. M.

2011-01-01

This study addresses a controversial issue in the adiabatic piston problem, namely that of the piston being adiabatic when it is fixed but no longer so when it can move freely. It is shown that this apparent contradiction arises from the usual definition of adiabatic condition. The issue is addressed here by requiring the adiabatic condition to be…

Theoretical study of the electronic structure of KLi molecule: Adiabatic and diabatic potential energy curves and dipole moments

Energy Technology Data Exchange (ETDEWEB)

Dardouri, Riadh, E-mail: dardouririad@yahoo.fr [Laboratoire de Physique Quantique, Faculte des Sciences de Monastir, Avenue de l' Environnement, 5019 Monastir (Tunisia); Habli, Hela [Laboratoire de Physique Quantique, Faculte des Sciences de Monastir, Avenue de l' Environnement, 5019 Monastir (Tunisia); Oujia, Brahim; Gadea, Florent Xavier [Laboratoire de Chimie et Physique Quantique, UMR 5626 du CNRS, Universite de Toulouse, UPS, 118 route de Narbonne, 31062 Toulouse Cedex 4 (France)

2012-05-03

Graphical abstract: We present the resulting 12 {sup 1}{Sigma}{sup +} diabatic potential energy curves where they are labeled D{sub 1} for the ionic Li{sup -}K{sup +} and D{sub 2} to D{sub 12} for other. Highlights: Black-Right-Pointing-Pointer Our ab initio study has been conducted for 48 electronic states of LiK molecule. Black-Right-Pointing-Pointer We use pseudo-potential for the core and large basis sets for the Rydberg states. Black-Right-Pointing-Pointer The calculations rely on ab initio pseudo-potential and full valence CI approaches. Black-Right-Pointing-Pointer Diabatic potentials are analyzed, revealing the strong imprint of the ionic {sup 1}{Sigma}{sup +} state. - Abstract: For all states dissociating below the ionic limit Li{sup -}K{sup +}, we perform an adiabatic and diabatic study for {sup 1}{Sigma}{sup +} electronic states dissociating into K (4s, 4p, 4d, 5s, 5p, 5d, 6s) + Li (2s, 2p, 3s). Furthermore, we present the adiabatic results for the 1-11 {sup 3}{Sigma}, 1-8 {sup 1,3}{Pi} and 1-4 {sup 1,3}{Delta} states. The present calculations on the KLi molecule are complementary to previous theoretical work on this system, including recently observed electronic states that had not been calculated previously. The calculations rely on an ab initio pseudo-potential, Core Polarization Potential operators for the core-valence correlation and full valence CI approaches, combined to an efficient diabatization procedure. For the low-lying states, our spectroscopic constants and vibrational level spacing are in good agreement with the available experimental data. Diabatic potentials and permanent dipole moments are analyzed, revealing the strong imprint of the ionic state in the {sup 1}{Sigma}{sup +} adiabatic states.

Detection systems for high energy particle producing gaseous ionization

International Nuclear Information System (INIS)

Duran, I.; Martinez, L.

1985-01-01

This report contains a review on the most used detectors based on the collection of the ionization produced by high energy particles: proportional counters, multiwire proportional chambers, Geiger-Mueller counters and drift chambers. In six sections, the fundamental principles, the field configuration and useful gas mixtures are discussed, most relevant devices are reported. (author)

Evaluation of a plane-parallel ionization chamber for low-energy radiotherapy beams

International Nuclear Information System (INIS)

Perini, Ana Paula; Neves, Lucio Pereira; Santos, William de Souza; Caldas, Linda V.E.

2014-01-01

A plane-parallel ionization chamber, with a sensitive volume of 6.3 cm 3 , developed at the Calibration Laboratory of IPEN (LCI), was utilized to verify the possibility of its application in low-energy X-ray beam qualities for radiotherapy (T-qualities). This homemade ion chamber was manufactured using polymethyl methacrylate (PMMA) coated with graphite, and co-axial cables. In order to evaluate the performance of this ionization chamber, some characterization tests were performed: short- and medium-term stability, leakage current, saturation, ion collection efficiency, polarity effect and linearity of response. The maximum value obtained in the short-term stability test was 0.2%, in accordance with the limit value of 0.3% provided by the IEC 60731 standard. The saturation curve was obtained varying the applied voltage from -400 V to +400 V, in steps of 50 V, using the charge collecting time of 20 s. From the saturation curve two other characteristics were analyzed: the polarity effect and the ion collection efficiency, with results within the international recommendations. The leakage current of the ionization chamber was measured in time intervals of 20 minutes, before and after its irradiations, and all the results obtained were in agreement with the IEC 60731 standard. The linearity of response was verified utilizing the T-50(b) radiation quality, and the ionization chamber was exposed to different air kerma rates. The response of the ionization chamber presented a linear behavior. Therefore, all results were considered satisfactory, within international recommendations, indicating that this homemade ionization chamber presents potential routine use in dosimetry of low-energy radiotherapy beams. (author)

Fission fragment charge and mass distributions in 239Pu(n ,f ) in the adiabatic nuclear energy density functional theory

Science.gov (United States)

Regnier, D.; Dubray, N.; Schunck, N.; Verrière, M.

2016-05-01

Background: Accurate knowledge of fission fragment yields is an essential ingredient of numerous applications ranging from the formation of elements in the r process to fuel cycle optimization for nuclear energy. The need for a predictive theory applicable where no data are available, together with the variety of potential applications, is an incentive to develop a fully microscopic approach to fission dynamics. Purpose: In this work, we calculate the pre-neutron emission charge and mass distributions of the fission fragments formed in the neutron-induced fission of 239Pu using a microscopic method based on nuclear density functional theory (DFT). Methods: Our theoretical framework is the nuclear energy density functional (EDF) method, where large-amplitude collective motion is treated adiabatically by using the time-dependent generator coordinate method (TDGCM) under the Gaussian overlap approximation (GOA). In practice, the TDGCM is implemented in two steps. First, a series of constrained EDF calculations map the configuration and potential-energy landscape of the fissioning system for a small set of collective variables (in this work, the axial quadrupole and octupole moments of the nucleus). Then, nuclear dynamics is modeled by propagating a collective wave packet on the potential-energy surface. Fission fragment distributions are extracted from the flux of the collective wave packet through the scission line. Results: We find that the main characteristics of the fission charge and mass distributions can be well reproduced by existing energy functionals even in two-dimensional collective spaces. Theory and experiment agree typically within two mass units for the position of the asymmetric peak. As expected, calculations are sensitive to the structure of the initial state and the prescription for the collective inertia. We emphasize that results are also sensitive to the continuity of the collective landscape near scission. Conclusions: Our analysis confirms

Electron energy distribution in a weakly ionized plasma

International Nuclear Information System (INIS)

Cesari, C.

1967-03-01

The aim of this work is to determine from both the theoretical and experimental points of view the type of distribution function for the electronic energies existing in a positive-column type cold laboratory plasma having an ionization rate of between 10 -6 and 10 -7 . The theoretical analysis, based on the imperfect Lorentz model and taking into account inelastic collisions is developed from the Boltzmann equation. The experimental method which we have employed for making an electrostatic analysis of the electronic energies makes use of a Langmuir probe used in conjunction with a transistorized electronic device. A comparison between the experimental and theoretical results yields information concerning the mechanisms governing electronic energy transfer on a microscopic scale. (author) [fr

Performance tests of a special ionization chamber for X-rays in mammography energy range

Energy Technology Data Exchange (ETDEWEB)

Silva, J.O., E-mail: jonas.silva@ufg.br [Universidade Federal de Goiás (UFG), Goiânia (Brazil). Instituto de Física; Caldas, L.V.E. [Instituto de Pesquisas Energéticas e Nucleares (IPEN-CNEN/SP), São Paulo, SP (Brazil). Centro de Metrologia das Radiações

2017-07-01

A special mammography homemade ionization chamber was developed to be applied for mammography energy range dosimetry. This chamber has a total sensitive volume of 6 cm{sup 3} and is made of a PMMA body and graphite coated collecting electrode. Performance tests as saturation, ion collection efficiency, linearity of chamber response versus air kerma rate and energy dependence were determined. The results obtained with this special homemade ionization chamber are within the limits stated in international recommendations. This chamber can be used in quality control programs of mammography energy range. All measurements were carried out at the Calibration Laboratory of IPEN. (author)

Assessment of total efficiency in adiabatic engines

Science.gov (United States)

Mitianiec, W.

2016-09-01

The paper presents influence of ceramic coating in all surfaces of the combustion chamber of SI four-stroke engine on working parameters mainly on heat balance and total efficiency. Three cases of engine were considered: standard without ceramic coating, fully adiabatic combustion chamber and engine with different thickness of ceramic coating. Consideration of adiabatic or semi-adiabatic engine was connected with mathematical modelling of heat transfer from the cylinder gas to the cooling medium. This model takes into account changeable convection coefficient based on the experimental formulas of Woschni, heat conductivity of multi-layer walls and also small effect of radiation in SI engines. The simulation model was elaborated with full heat transfer to the cooling medium and unsteady gas flow in the engine intake and exhaust systems. The computer program taking into account 0D model of engine processes in the cylinder and 1D model of gas flow was elaborated for determination of many basic engine thermodynamic parameters for Suzuki DR-Z400S 400 cc SI engine. The paper presents calculation results of influence of the ceramic coating thickness on indicated pressure, specific fuel consumption, cooling and exhaust heat losses. Next it were presented comparisons of effective power, heat losses in the cooling and exhaust systems, total efficiency in function of engine rotational speed and also comparison of temperature inside the cylinder for standard, semi-adiabatic and full adiabatic engine. On the basis of the achieved results it was found higher total efficiency of adiabatic engines at 2500 rpm from 27% for standard engine to 37% for full adiabatic engine.

Energy efficient and adiabatic humidification. Reversed osmosis principle purifies water; Energiezuinig en adiabatisch bevochtigen. Omgekeerd-osmose principe zuivert water

Energy Technology Data Exchange (ETDEWEB)

Brands, R. [Cumulus Nederland, Cuijk (Netherlands)

2006-11-15

For decades air conditioners are equipped with humidifiers. A large number of humidifier types are available. Adiabatic humidification is an energy efficient technique, although it is important to control the installation conditions, water treatment (reversed osmosis) and the risk of legionella. [Dutch] Al decennia lang worden er luchtbehandelingkasten gebouwd met een bevochtigingssectie. Door de jaren heen is een enorme verscheidenheid ontstaan van bevochtigingssystemen. Adiabatische bevochtiging staat in de belangstelling vanwege het lagere energiegebruik. Hierbij moeten de installatievoorwaarden, de waterbehandeling (omgekeerde osmose) en het legionellarisico goed in de gaten worden gehouden.

Energy and angle differential cross sections for the electron-impact double ionization of helium

International Nuclear Information System (INIS)

Colgan, James P.; Pindzola, M.S.; Robicheaux, F.

2008-01-01

Energy and angle differential cross sections for the electron-impact double ionization of helium are calculated using a non-perturbative time-dependent close-coupling method. Collision probabilities are found by projection of a time evolved nine dimensional coordinate space wave function onto fully antisymmetric products of spatial and spin functions representing three outgoing Coulomb waves. At an incident energy of 106 eV, we present double energy differential cross sections and pentuple energy and angle differential cross sections. The pentuple energy and angle differential cross sections are found to be in relative agreement with the shapes observed in recent (e,3e) reaction microscope experiments. Integration of the differential cross sections over all energies and angles yields a total ionization cross section that is also in reasonable agreement with absolute crossed-beams experiments.

Observational tests of non-adiabatic Chaplygin gas

Energy Technology Data Exchange (ETDEWEB)

Carneiro, S.; Pigozzo, C., E-mail: saulo.carneiro@pq.cnpq.br, E-mail: cpigozzo@ufba.br [Instituto de Física, Universidade Federal da Bahia, Campus de Ondina, Salvador, BA 40210-340 (Brazil)

2014-10-01

In a previous paper [1] it was shown that any dark sector model can be mapped into a non-adiabatic fluid formed by two interacting components, one with zero pressure and the other with equation-of-state parameter ω = -1. It was also shown that the latter does not cluster and, hence, the former is identified as the observed clustering matter. This guarantees that the dark matter power spectrum does not suffer from oscillations or instabilities. It applies in particular to the generalised Chaplygin gas, which was shown to be equivalent to interacting models at both background and perturbation levels. In the present paper we test the non-adiabatic Chaplygin gas against the Hubble diagram of type Ia supernovae, the position of the first acoustic peak in the anisotropy spectrum of the cosmic microwave background and the linear power spectrum of large scale structures. We consider two different compilations of SNe Ia, namely the Constitution and SDSS samples, both calibrated with the MLCS2k2 fitter, and for the power spectrum we use the 2dFGRS catalogue. The model parameters to be adjusted are the present Hubble parameter, the present matter density and the Chaplygin gas parameter α. The joint analysis best fit gives α ≈ - 0.5, which corresponds to a constant-rate energy flux from dark energy to dark matter, with the dark energy density decaying linearly with the Hubble parameter. The ΛCDM model, equivalent to α = 0, stands outside the 3σ confidence interval.

Collisions of highly stripped ions at MeV energies in gas targets: charge transfer and ionization

International Nuclear Information System (INIS)

Schlachter, A.S.

1980-01-01

Cross sections have been measured for charge transfer and ionization in H 2 and rare-gas targets by fast, highly ionized carbon, iron, niobium, and lead ions in charge states +3 to +59, with energies in the range 0.1 to 4.8 MeV/amu. Experimental results are compared with classical-trajectory calculations; agreement is generally good. For a given target, the cross sections for net ionization reduce to a common curve when plotted as cross section divided by charge state versus energy per nucleon divided by charge state

Accuracy versus run time in an adiabatic quantum search

International Nuclear Information System (INIS)

Rezakhani, A. T.; Pimachev, A. K.; Lidar, D. A.

2010-01-01

Adiabatic quantum algorithms are characterized by their run time and accuracy. The relation between the two is essential for quantifying adiabatic algorithmic performance yet is often poorly understood. We study the dynamics of a continuous time, adiabatic quantum search algorithm and find rigorous results relating the accuracy and the run time. Proceeding with estimates, we show that under fairly general circumstances the adiabatic algorithmic error exhibits a behavior with two discernible regimes: The error decreases exponentially for short times and then decreases polynomially for longer times. We show that the well-known quadratic speedup over classical search is associated only with the exponential error regime. We illustrate the results through examples of evolution paths derived by minimization of the adiabatic error. We also discuss specific strategies for controlling the adiabatic error and run time.

FRW-type cosmologies with adiabatic matter creation

International Nuclear Information System (INIS)

Lima, J.A.; Germano, A.S.; Abramo, L.R.

1996-01-01

Some properties of cosmological models with matter creation are investigated in the framework of the Friedmann-Robertson-Walker line element. For adiabatic matter creation, as developed by Prigogine and co-workers, we derive a simple expression relating the particle number density n and energy density ρ which holds regardless of the matter creation rate. The conditions to generate inflation are discussed and by considering the natural phenomenological matter creation rate ψ=3βnH, where β is a pure number of the order of unity and H is the Hubble parameter, a minimally modified hot big-bang model is proposed. The dynamic properties of such models can be deduced from the standard ones simply by replacing the adiabatic index γ of the equation of state by an effective parameter γ * =γ(1-β). The thermodynamic behavior is determined and it is also shown that ages large enough to agree with observations are obtained even given the high values of H suggested by recent measurements. copyright 1996 The American Physical Society

Effects of classical resonances on the chaotic microwave ionization of highly excited hydrogen atoms

Energy Technology Data Exchange (ETDEWEB)

Jensen, R V

1987-05-01

Experimental measurements of the microwave ionization of highly excited hydrogen atoms with principal quantum numbers ranging from n = 32 to 90 are well described by a classical treatment of the nonlinear electron dynamics. In particular, the measurements of the threshold field for the onset of significant ionization exhibits a curious dependence on the microwave frequency with distinct peaks at rational values of the scaled frequency, n/sup 3/..cap omega.. = 1, 2/3, 1/2, 2/5, 1/3, 1/4, 1/5, which is in excellent agreement with the predictions for the onset of classical chaos in a one-dimensional model of the experiment. In the classical theory this frequency dependence of the threshold fields is due to the stabilizing effect of nonlinear resonances (''islands'') in the classical phase space which is greatly enhanced when the microwave perturbation is turned on slowly (adiabatically) as in the experiments. Quantum calculations for this one-dimensional model also exhibit this stabilizing effect due to the preferential excitation of localized quasi-energy states.

Shakeoff Ionization near the Coulomb Barrier Energy

Science.gov (United States)

Sharma, Prashant; Nandi, T.

2017-11-01

We measure the projectile K x-ray spectra as a function of the beam energies around the Coulomb barrier in different collision systems. The energy is scanned in small steps around the barrier aiming to explore the nuclear effects on the elastically scattered projectile ions. The variation of the projectile x-ray energy with the ion-beam energies exhibits an unusual increase in between the interaction barrier and fusion barrier energies. This additional contribution to the projectile ionization can be attributed to the shakeoff of outer-shell electrons of the projectile ions due to the sudden nuclear recoil (˜10-21 sec ) caused by the attractive nuclear potential, which gets switched on near the interaction barrier energy. In the sudden approximation limit, the theoretical shakeoff probability calculation due to the nuclear recoil explains the observed data well. In addition to its fundamental interest, such processes can play a significant role in dark matter detection through the possible mechanism of x-ray emissions, where the weakly interacting massive particle-nucleus elastic scattering can lead to the nuclear-recoil-induced inner-shell vacancy creations. Furthermore, the present work may provide new prospects for atomic physics research at barrier energies as well as provide a novel technique to perform barrier distribution studies for two-body systems.

Theoretical study of the CsH molecule: adiabatic and diabatic potential energy curves and dipole moments

International Nuclear Information System (INIS)

Zrafi, W; Oujia, B; Gadea, F X

2006-01-01

For nearly all states dissociating below the ionic limit, we perform an adiabatic and diabatic study for 1 Σ + and 3 Σ + electronic states dissociating into Cs (6s, 6p, 5d, 7s, 7p, 6d, 8s and 4f) + H (1s). Furthermore, we present the adiabatic results for the 1-5 1,3 Π and 1-3 1,3 Δ states. The calculations rely on an ab initio pseudopotential, semi-empirical operator core-valence correlation and full valence CI approaches, combined to an efficient diabatization procedure. For the low-lying states, our spectroscopic constants and vibrational level spacing are in very good agreement with the available experimental data. Diabatic potentials and dipole moments are analysed, revealing the strong imprint of the ionic state in the 1 Σ + adiabatic states. The H electron affinity correction was accounted for by the use of the efficient diabatization method. This leads to a better agreement with the available experimental data. Experimental suggestions are also given for the higher excited states based on their unusual behaviour

'Saddle-point' ionization

International Nuclear Information System (INIS)

Gay, T.J.; Hale, E.B.; Irby, V.D.; Olson, R.E.; Missouri Univ., Rolla; Berry, H.G.

1988-01-01

We have studied the ionization of rare gases by protons at intermediate energies, i.e., energies at which the velocities of the proton and the target-gas valence electrons are comparable. A significant channel for electron production in the forward direction is shown to be 'saddle-point' ionization, in which electrons are stranded on or near the saddle-point of electric potential between the receding projectile and the ionized target. Such electrons yield characteristic energy spectra, and contribute significantly to forward-electron-production cross sections. Classical trajectory Monte Carlo calculations are found to provide qualitative agreement with our measurements and the earlier measurements of Rudd and coworkers, and reproduce, in detail, the features of the general ionization spectra. (orig.)

Spatial non-adiabatic passage using geometric phases

Energy Technology Data Exchange (ETDEWEB)

Benseny, Albert; Busch, Thomas [Okinawa Institute of Science and Technology Graduate University, Quantum Systems Unit, Okinawa (Japan); Kiely, Anthony; Ruschhaupt, Andreas [University College Cork, Department of Physics, Cork (Ireland); Zhang, Yongping [Okinawa Institute of Science and Technology Graduate University, Quantum Systems Unit, Okinawa (Japan); Shanghai University, Department of Physics, Shanghai (China)

2017-12-15

Quantum technologies based on adiabatic techniques can be highly effective, but often at the cost of being very slow. Here we introduce a set of experimentally realistic, non-adiabatic protocols for spatial state preparation, which yield the same fidelity as their adiabatic counterparts, but on fast timescales. In particular, we consider a charged particle in a system of three tunnel-coupled quantum wells, where the presence of a magnetic field can induce a geometric phase during the tunnelling processes. We show that this leads to the appearance of complex tunnelling amplitudes and allows for the implementation of spatial non-adiabatic passage. We demonstrate the ability of such a system to transport a particle between two different wells and to generate a delocalised superposition between the three traps with high fidelity in short times. (orig.)

Dissipation in adiabatic quantum computers: lessons from an exactly solvable model

Science.gov (United States)

Keck, Maximilian; Montangero, Simone; Santoro, Giuseppe E.; Fazio, Rosario; Rossini, Davide

2017-11-01

We introduce and study the adiabatic dynamics of free-fermion models subject to a local Lindblad bath and in the presence of a time-dependent Hamiltonian. The merit of these models is that they can be solved exactly, and will help us to study the interplay between nonadiabatic transitions and dissipation in many-body quantum systems. After the adiabatic evolution, we evaluate the excess energy (the average value of the Hamiltonian) as a measure of the deviation from reaching the final target ground state. We compute the excess energy in a variety of different situations, where the nature of the bath and the Hamiltonian is modified. We find robust evidence of the fact that an optimal working time for the quantum annealing protocol emerges as a result of the competition between the nonadiabatic effects and the dissipative processes. We compare these results with the matrix-product-operator simulations of an Ising system and show that the phenomenology we found also applies for this more realistic case.

Fast-forward of quantum adiabatic dynamics in electro-magnetic field

OpenAIRE

Masuda, Shumpei; Nakamura, Katsuhiro

2010-01-01

We show a method to accelerate quantum adiabatic dynamics of wavefunctions under electro-magnetic field by developing the previous theory (Masuda & Nakamura 2008 and 2010). Firstly we investigate the orbital dynamics of a charged particle. We derive the driving field which accelerates quantum adiabatic dynamics in order to obtain the final adiabatic states except for the spatially uniform phase such as the adiabatic phase in any desired short time. Fast-forward of adiabatic squeezing and tran...

Ionization effects in electronic inner-shells of ionized atoms

International Nuclear Information System (INIS)

Shchornak, G.

1983-01-01

A review of the atomic physics of ionization atoms has been presented. Interaction and structure effects in atomic shells, correlated to the occurrence of vacancies in several subshells of the atom have been considered. The methods of calculations of atomic states and wave functions have been reviewed. The energy shift of characteristic X-rays is discussed as a function of the ionization stage of the atom. The influence of inner and outer-shell vacancies on the energy of the X-rays is shown in detail. The influence of chemical effects on the parameters of X-rays is also taken into account. Further on, the change of transition probabilities in radiative and non-radiative transitions by changing stage of ionization is discussed; and among them the leading part of Auger and Coster-Kronig transitions by the arearrangement of the atomic states is shown. The influence of non-radiative electronic transitions on ionization cross-sections for multiple ionization is discussed. Using these results, ionization cross-sections for direct and indirect processes for several ionization stages are given

Detection systems for high energy particle producing gaseous ionization

International Nuclear Information System (INIS)

Martinez, L.; Duran, I.

1985-01-01

This report contains a review on the most used detectors based on the collection of the ionization produced by high energy particles: proportional counters, multiwire proportional chambers, Geiger-Muller counters and drift chambers. In six sections, the fundamental principles, the field configuration and useful gas mixtures, are discussed, most relevant devices are reported along 90 pages with 98 references. (Author) 98 refs

Angle resolved electron spectroscopy of spontaneous ionization processes occurring in doubly charged ion-surface collisions at grazing incidence

International Nuclear Information System (INIS)

Wouters, P.A.A.F.; Emmichoven, P.A.Z. van; Niehaus, A.

1989-01-01

The experimental setup used to measure electron spectra at well defined detection angles for grazing incidence doubly charged ion-surface collisions at keV-energies is described. Electron spectra are reported for the rare gas ions colliding with a Cu(110)-surface. The spectra are analyzed in terms of various spontaneous ionization processes using a newly developed model. It is found that double capture followed by atomic auto-ionization on the incoming trajectory and Auger-capture processes in which the first and second hole in the doubly charged projectiles are successively filled are the main processes contributing to the electron spectra. From a comparison of model calculations with measured spectra it is concluded that the metal electrons cannot adapt adiabatically to the sudden changes of the charge state of the projectile in front of the surface. A parameter characterizing the partly diabatic behavior is determined. The variation of spectra upon adsorption of a monolayer of oxygen on the surface is reported and discussed. (author)

Growth of CdTe on Si(100) surface by ionized cluster beam technique: Experimental and molecular dynamics simulation

Energy Technology Data Exchange (ETDEWEB)

Araghi, Houshang, E-mail: araghi@aut.ac.ir [Department of Physics, Amirkabir University of Technology, Tehran (Iran, Islamic Republic of); Zabihi, Zabiholah [Department of Physics, Amirkabir University of Technology, Tehran (Iran, Islamic Republic of); Nayebi, Payman [Department of Physics, College of Technical and Engineering, Saveh Branch, Islamic Azad University, Saveh (Iran, Islamic Republic of); Ehsani, Mohammad Mahdi [Department of Physics, Amirkabir University of Technology, Tehran (Iran, Islamic Republic of)

2016-10-15

II–VI semiconductor CdTe was grown on the Si(100) substrate surface by the ionized cluster beam (ICB) technique. In the ICB method, when vapors of solid materials such as CdTe were ejected through a nozzle of a heated crucible into a vacuum region, nanoclusters were created by an adiabatic expansion phenomenon. The clusters thus obtained were partially ionized by electron bombardment and then accelerated onto the silicon substrate at 473 K by high potentials. The cluster size was determined using a retarding field energy analyzer. The results of X-ray diffraction measurements indicate the cubic zinc blende (ZB) crystalline structure of the CdTe thin film on the silicon substrate. The CdTe thin film prepared by the ICB method had high crystalline quality. The microscopic processes involved in the ICB deposition technique, such as impact and coalescence processes, have been studied in detail by molecular dynamics (MD) simulation.

Quantum theory of NMR adiabatic pulses and their applications

International Nuclear Information System (INIS)

Ke, Y.

1993-01-01

Recently explosive developments of in vivo NMR spectroscopy (NMRS) and imaging (NMRI) in biological and medical sciences have resulted in the establishment of NMR as one of the most advanced major technique in life sciences. These developments have created huge demands for a variety of NMR adiabatic pulses with play a very important role in NMR experiments in vivo. In order to develop new NMR adiabatic pulses, a rigorous systematical quantum theory for this kind of pulses is greatly needed. Providing such a theory is one of the important goals of this dissertation. Quantum density matrix theory and product operator method have been used throughout this dissertation. Another goal, which is the major goal of this thesis research, is to use the quantum theory as a guide to develop new NMR adiabatic pulses and their applications. To fill this goal, a technique to construct a new type of adiabatic pulses, narrow band selective adiabatic pulses, has been invented, which is described through the example of constructing an adiabatic DANTE inversion pulse. This new adiabatic pulse is the first narrow band selective adiabatic pulses: Adiabatic homonuclear and heteronuclear spectral editing sequences. Unique to the first pulse sequence is a B 1 -field filter which is built by using two non-refocusing adiabatic full passage pulses to refocus the wanted signal and dephase unwanted signals. This extra filter greatly enhance the editing efficiency. Unlike commonly used heteronuclear spectral editing sequences which depend on the polarization transfer or spectral subtraction by phase cycling techniques, the second pulse sequences accomplishes the editing of heteronuclear J-coupled signals based on the fact that this sequence is transparent to the uncoupled spins and is equivalent a 90 degrees excitation pulse to the heteronuclear J-coupled spins. Experimental results have confirmed the ability of spectral editing with these two new sequences

Neutron generator based on adiabatic trap

International Nuclear Information System (INIS)

Golovin, I.N.; Zhil'tsov, V.A.; Panov, D.A.; Skovoroda, A.A.; Shatalov, G.E.; Shcherbakov, A.G.

1988-01-01

A possibility of 14 MeV neutron generator (NG) production on the basis of axial-symmetric adiabatic trap with MHD cusped armature for the testing of materials and elements of the DT reactor first wall and blanket structure is discussed. General requirements to NG are formulated. It is shown that the NG variant discussed meets the requirements formulated. Approximate calculation of the NG parameters has shown that total energy consumption by the generator does not exceed 220 MW at neutron flux specific capacity of 2.5 MW/m 2 and radiation test area of 5-6 m 2

Adiabatic process reversibility: microscopic and macroscopic views

International Nuclear Information System (INIS)

Anacleto, Joaquim; Pereira, Mario G

2009-01-01

The reversibility of adiabatic processes was recently addressed by two publications. In the first (Miranda 2008 Eur. J. Phys. 29 937-43), an equation was derived relating the initial and final volumes and temperatures for adiabatic expansions of an ideal gas, using a microscopic approach. In that relation the parameter r accounts for the process reversibility, ranging between 0 and 1, which corresponds to the free and reversible expansion, respectively. In the second (Anacleto and Pereira 2009 Eur. J. Phys. 30 177-83), the authors have shown that thermodynamics can effectively and efficiently be used to obtain the general law for adiabatic processes carried out by an ideal gas, including compressions, for which r≥1. The present work integrates and extends the aforementioned studies, providing thus further insights into the analysis of the adiabatic process. It is shown that Miranda's work is wholly valid for compressions. In addition, it is demonstrated that the adiabatic reversibility coefficient given in terms of the piston velocity and the root mean square velocity of the gas particles is equivalent to the macroscopic description, given just by the quotient between surroundings and system pressure values. (letters and comments)

Electron-Nuclear Energy Sharing in Above-Threshold Multiphoton Dissociative Ionization of H2

DEFF Research Database (Denmark)

Wu, J.; Kunitski, M.; Pitzer, M.

2013-01-01

We report experimental observation of the energy sharing between electron and nuclei in above-threshold multiphoton dissociative ionization of H2 by strong laser fields. The absorbed photon energy is shared between the ejected electron and nuclei in a correlated fashion, resulting in multiple...... diagonal lines in their joint energy spectrum governed by the energy conservation of all fragment particles....

Behavior of Rydberg atoms at surfaces: energy level shifts and ionization

Energy Technology Data Exchange (ETDEWEB)

Dunning, F.B. E-mail: fbd@rice.edu; Dunham, H.R.; Oubre, C.; Nordlander, P

2003-04-01

The ionization of xenon atoms excited to the extreme red and blue states in high-lying Xe(n) Stark manifolds at a metal surface is investigated. The data show that, despite their very different initial spatial characteristics, the extreme members of a given Stark manifold ionize at similar atom/surface separations. This is explained, with the aid of complex scaling calculations, in terms of the strong perturbations in the energies and structure of the atomic states induced by the presence of the surface which lead to avoided crossings between neighboring levels as the surface is approached.

Behavior of Rydberg atoms at surfaces: energy level shifts and ionization

CERN Document Server

Dunning, F B; Oubre, C D; Nordlander, P

2003-01-01

The ionization of xenon atoms excited to the extreme red and blue states in high-lying Xe(n) Stark manifolds at a metal surface is investigated. The data show that, despite their very different initial spatial characteristics, the extreme members of a given Stark manifold ionize at similar atom/surface separations. This is explained, with the aid of complex scaling calculations, in terms of the strong perturbations in the energies and structure of the atomic states induced by the presence of the surface which lead to avoided crossings between neighboring levels as the surface is approached.

Theory of warm ionized gases: equation of state and kinetic Schottky anomaly.

Science.gov (United States)

Capolupo, A; Giampaolo, S M; Illuminati, F

2013-10-01

Based on accurate Lennard-Jones-type interaction potentials, we derive a closed set of state equations for the description of warm atomic gases in the presence of ionization processes. The specific heat is predicted to exhibit peaks in correspondence to single and multiple ionizations. Such kinetic analog in atomic gases of the Schottky anomaly in solids is enhanced at intermediate and low atomic densities. The case of adiabatic compression of noble gases is analyzed in detail and the implications on sonoluminescence are discussed. In particular, the predicted plasma electron density in a sonoluminescent bubble turns out to be in good agreement with the value measured in recent experiments.

Perturbation to Unified Symmetry and Adiabatic Invariants for Relativistic Hamilton Systems

International Nuclear Information System (INIS)

Zhang Mingjiang; Fang Jianhui; Lu Kai; Pang Ting; Lin Peng

2009-01-01

Based on the concept of adiabatic invariant, the perturbation to unified symmetry and adiabatic invariants for relativistic Hamilton systems are studied. The definition of the perturbation to unified symmetry for the system is presented, and the criterion of the perturbation to unified symmetry is given. Meanwhile, the Noether adiabatic invariants, the generalized Hojman adiabatic invariants, and the Mei adiabatic invariants for the perturbed system are obtained. (general)

Adiabatic nanofocusing: Spectroscopy, transport and imaging investigation of the nano world

KAUST Repository

Giugni, Andrea

2014-11-01

Adiabatic compression plays a fundamental role in the realization of localized enhanced electromagnetic field hot spots, it provides the possibility to focus at nanoscale optical excitation. It differs from the well-known lightning rod effect since it is based on the lossless propagation of surface plasmon polaritons (SPPs) up to a nano-sized metal tip where the energy density is largely enhanced. Here we discuss two important applications of adiabatic compression: Raman and hot electron spectroscopy at nanometric resolution. The underlying phenomena are the conversion of SPPs into photons or hot electrons. New scanning probe spectroscopy techniques along with experimental results are discussed. We foresee that these techniques will play a key role in relating the functional and structural properties of matter at the nanoscale.

Adiabatic nanofocusing: Spectroscopy, transport and imaging investigation of the nano world

KAUST Repository

Giugni, Andrea; Allione, Marco; Torre, Bruno; Das, Gobind; Francardi, Marco; Moretti, Manola; Malerba, Mario; Perozziello, Gerardo; Candeloro, Patrizio; Di Fabrizio, Enzo M.

2014-01-01

Adiabatic compression plays a fundamental role in the realization of localized enhanced electromagnetic field hot spots, it provides the possibility to focus at nanoscale optical excitation. It differs from the well-known lightning rod effect since it is based on the lossless propagation of surface plasmon polaritons (SPPs) up to a nano-sized metal tip where the energy density is largely enhanced. Here we discuss two important applications of adiabatic compression: Raman and hot electron spectroscopy at nanometric resolution. The underlying phenomena are the conversion of SPPs into photons or hot electrons. New scanning probe spectroscopy techniques along with experimental results are discussed. We foresee that these techniques will play a key role in relating the functional and structural properties of matter at the nanoscale.

Impact of Turbocharger Non-Adiabatic Operation on Engine Volumetric Efficiency and Turbo Lag

Directory of Open Access Journals (Sweden)

S. Shaaban

2012-01-01

Full Text Available Turbocharger performance significantly affects the thermodynamic properties of the working fluid at engine boundaries and hence engine performance. Heat transfer takes place under all circumstances during turbocharger operation. This heat transfer affects the power produced by the turbine, the power consumed by the compressor, and the engine volumetric efficiency. Therefore, non-adiabatic turbocharger performance can restrict the engine charging process and hence engine performance. The present research work investigates the effect of turbocharger non-adiabatic performance on the engine charging process and turbo lag. Two passenger car turbochargers are experimentally and theoretically investigated. The effect of turbine casing insulation is also explored. The present investigation shows that thermal energy is transferred to the compressor under all circumstances. At high rotational speeds, thermal energy is first transferred to the compressor and latter from the compressor to the ambient. Therefore, the compressor appears to be “adiabatic” at high rotational speeds despite the complex heat transfer processes inside the compressor. A tangible effect of turbocharger non-adiabatic performance on the charging process is identified at turbocharger part load operation. The turbine power is the most affected operating parameter, followed by the engine volumetric efficiency. Insulating the turbine is recommended for reducing the turbine size and the turbo lag.

Energy and charge transfer in ionized argon coated water clusters

International Nuclear Information System (INIS)

Kočišek, J.; Lengyel, J.; Fárník, M.; Slavíček, P.

2013-01-01

We investigate the electron ionization of clusters generated in mixed Ar-water expansions. The electron energy dependent ion yields reveal the neutral cluster composition and structure: water clusters fully covered with the Ar solvation shell are formed under certain expansion conditions. The argon atoms shield the embedded (H 2 O) n clusters resulting in the ionization threshold above ≈15 eV for all fragments. The argon atoms also mediate more complex reactions in the clusters: e.g., the charge transfer between Ar + and water occurs above the threshold; at higher electron energies above ∼28 eV, an excitonic transfer process between Ar + * and water opens leading to new products Ar n H + and (H 2 O) n H + . On the other hand, the excitonic transfer from the neutral Ar* state at lower energies is not observed although this resonant process was demonstrated previously in a photoionization experiment. Doubly charged fragments (H 2 O) n H 2 2+ and (H 2 O) n 2+ ions are observed and Intermolecular Coulomb decay (ICD) processes are invoked to explain their thresholds. The Coulomb explosion of the doubly charged cluster formed within the ICD process is prevented by the stabilization effect of the argon solvent

Theoretical evaluation on the impact of heat exchanger in Advanced Adiabatic Compressed Air Energy Storage system

International Nuclear Information System (INIS)

Yang, Ke; Zhang, Yuan; Li, Xuemei; Xu, Jianzhong

2014-01-01

Highlights: • A multi-stage AA-CAES system model is established based on thermodynamic theory. • Four Cases about pressure loss and effectiveness of heat exchanger are investigated. • The impact of pressure loss on conversion of heat energy in TES is more sensitive. • The impact of heat exchanger effectiveness in charge process on system is stronger. • Pressure loss in heat exchanger affects the change trends of system efficiency. - Abstract: Advanced Adiabatic Compressed Air Energy Storage (AA-CAES) is a large-scale energy storage system based on gas turbine technology and thermal energy storage (TES). Electrical energy can be converted into internal energy of air and heat energy in TES during the charge process, while reverse energy conversion proceeds during discharge process. The performance of AA-CAES system requires further improvement in order to increase efficiency. In this paper, a multi-stage AA-CAES system model is established, and the influence of effectiveness and pressure loss in heat exchanger on energy conversion and utilization efficiency of AA-CAES system is analyzed theoretically based on the theory of thermodynamics. Four Cases about effectiveness and pressure loss of heat exchanger are investigated and compared with each other. It is found that effectiveness and pressure loss of heat exchanger are directly related to energy conversion and utilization in AA-CAES system. System efficiency changes with the variation of heat exchanger effectiveness and the impact of pressure loss on conversion of heat energy in TES is more sensitive than that of internal energy of air. Pressure loss can cause the complexity of system efficiency change. With appropriate selection of the values of heat exchanger effectiveness for both charge and discharge processes, an AA-CAES system with a higher efficiency could be expected

Generation of low-energy muons with laser resonant ionization

International Nuclear Information System (INIS)

Matsuda, Y.; Bakule, P.; Iwasaki, M.; Matsuzaki, T.; Miyake, Y.; Ikedo, Y.; Strasser, P.; Shimomura, K.; Makimura, S.; Nagamine, K.

2006-01-01

We have constructed a low-energy muSR spectrometer at RIKEN-RAL muon facility in ISIS, the UK. With low-background of pulsed muon beam, and short pulse width from laser resonant ionization method, it is hoped this instrument will open new possibilities for studies of material sciences with muon beam. It is enphasized that this method is well suited to the facility where intense pulsed proton beam is available

Spectrum and energy levels of five-times ionized zirconium (Zr VI)

Science.gov (United States)

Reader, Joseph; Lindsay, Mark D.

2016-02-01

We carried out a new analysis of the spectrum of five-times-ionized zirconium Zr VI. For this we used sliding-spark discharges together with normal- and grazing-incidence spectrographs to observe the spectrum from 160 to 2000 Å. These observations showed that the analysis of this spectrum by Khan et al (1985 Phys. Scr. 31 837) contained a significant number of incorrect energy levels. We have now classified ˜420 lines as transitions between 23 even-parity levels 73 odd-parity levels. The 4s24p5, 4s4p6, 4s24p44d, 5s, 5d, 6s configurations are now complete, although a few levels of 4s24p45d are tentative. We determined Ritz-type wavelengths for ˜135 lines from the optimized energy levels. The uncertainties range from 0.0003 to 0.0020 Å. Hartree-Fock calculations and least-squares fits of the energy parameters to the observed levels were used to interpret the observed configurations. Oscillator strengths for all classified lines were calculated with the fitted parameters. The results are compared with values for the level energies, percentage compositions, and transition probabilities from recent ab initio theoretical calculations. The ionization energy was revised to 777 380 ± 300 cm-1 (96.38 ± 0.04 eV).

Multiple coupled landscapes and non-adiabatic dynamics with applications to self-activating genes.

Science.gov (United States)

Chen, Cong; Zhang, Kun; Feng, Haidong; Sasai, Masaki; Wang, Jin

2015-11-21

Many physical, chemical and biochemical systems (e.g. electronic dynamics and gene regulatory networks) are governed by continuous stochastic processes (e.g. electron dynamics on a particular electronic energy surface and protein (gene product) synthesis) coupled with discrete processes (e.g. hopping among different electronic energy surfaces and on and off switching of genes). One can also think of the underlying dynamics as the continuous motion on a particular landscape and discrete hoppings among different landscapes. The main difference of such systems from the intra-landscape dynamics alone is the emergence of the timescale involved in transitions among different landscapes in addition to the timescale involved in a particular landscape. The adiabatic limit when inter-landscape hoppings are fast compared to continuous intra-landscape dynamics has been studied both analytically and numerically, but the analytical treatment of the non-adiabatic regime where the inter-landscape hoppings are slow or comparable to continuous intra-landscape dynamics remains challenging. In this study, we show that there exists mathematical mapping of the dynamics on 2(N) discretely coupled N continuous dimensional landscapes onto one single landscape in 2N dimensional extended continuous space. On this 2N dimensional landscape, eddy current emerges as a sign of non-equilibrium non-adiabatic dynamics and plays an important role in system evolution. Many interesting physical effects such as the enhancement of fluctuations, irreversibility, dissipation and optimal kinetics emerge due to non-adiabaticity manifested by the eddy current illustrated for an N = 1 self-activator. We further generalize our theory to the N-gene network with multiple binding sites and multiple synthesis rates for discretely coupled non-equilibrium stochastic physical and biological systems.

Valence ionized states of iron pentacarbonyl and eta5-cyclopentadienyl cobalt dicarbonyl studied by symmetry-adapted cluster-configuration interaction calculation and collision-energy resolved Penning ionization electron spectroscopy.

Science.gov (United States)

Fukuda, Ryoichi; Ehara, Masahiro; Nakatsuji, Hiroshi; Kishimoto, Naoki; Ohno, Koichi

2010-02-28

Valence ionized states of iron pentacarbonyl Fe(CO)(5) and eta(5)-cyclopentadienyl cobalt dicarbonyl Co(eta(5)-C(5)H(5))(CO)(2) have been studied by ultraviolet photoelectron spectroscopy, two-dimensional Penning ionization electron spectroscopy (2D-PIES), and symmetry-adapted cluster-configuration interaction calculations. Theory provided reliable assignments for the complex ionization spectra of these molecules, which have metal-carbonyl bonds. Theoretical ionization energies agreed well with experimental observations and the calculated wave functions could explain the relative intensities of PIES spectra. The collision-energy dependence of partial ionization cross sections (CEDPICS) was obtained by 2D-PIES. To interpret these CEDPICS, the interaction potentials between the molecules and a Li atom were examined in several coordinates by calculations. The relation between the slope of the CEDPICS and the electronic structure of the ionized states, such as molecular symmetry and the spatial distribution of ionizing orbitals, was analyzed. In Fe(CO)(5), an attractive interaction was obtained for the equatorial CO, while the interaction for the axial CO direction was repulsive. For Co(eta(5)-C(5)H(5))(CO)(2), the interaction potential in the direction of both Co-C-O and Co-Cp ring was attractive. These anisotropic interactions and ionizing orbital distributions consistently explain the relative slopes of the CEDPICS.

Quantum tunneling, adiabatic invariance and black hole spectroscopy

Science.gov (United States)

Li, Guo-Ping; Pu, Jin; Jiang, Qing-Quan; Zu, Xiao-Tao

2017-05-01

In the tunneling framework, one of us, Jiang, together with Han has studied the black hole spectroscopy via adiabatic invariance, where the adiabatic invariant quantity has been intriguingly obtained by investigating the oscillating velocity of the black hole horizon. In this paper, we attempt to improve Jiang-Han's proposal in two ways. Firstly, we once again examine the fact that, in different types (Schwarzschild and Painlevé) of coordinates as well as in different gravity frames, the adiabatic invariant I_adia = \\oint p_i dq_i introduced by Jiang and Han is canonically invariant. Secondly, we attempt to confirm Jiang-Han's proposal reasonably in more general gravity frames (including Einstein's gravity, EGB gravity and HL gravity). Concurrently, for improving this proposal, we interestingly find in more general gravity theories that the entropy of the black hole is an adiabatic invariant action variable, but the horizon area is only an adiabatic invariant. In this sense, we emphasize the concept that the quantum of the black hole entropy is more natural than that of the horizon area.

Shortcuts to adiabaticity in cutting a spin chain

Energy Technology Data Exchange (ETDEWEB)

Ren, Feng-Hua [Department of Physics, Ocean University of China, Qingdao 266100 (China); School of Computer Engineering, Qingdao Technological University, Qingdao 266033 (China); Wang, Zhao-Ming, E-mail: mingmoon78@126.com [Department of Physics, Ocean University of China, Qingdao 266100 (China); Gu, Yong-Jian, E-mail: yjgu@ouc.edu.cn [Department of Physics, Ocean University of China, Qingdao 266100 (China)

2017-01-15

“Shortcuts to adiabaticity” represents a strategy for accelerating a quantum adiabatic process, is useful for preparing or manipulating a quantum state. In this paper, we investigate the adiabaticity in the dynamics of an XY spin chain. During the process of cutting one long chain into two short chains, a “shortcut” can be obtained by applying a sequence of external pulses. The fidelity which measures the adiabaticity can be dramatically enhanced by increasing the pulse strength or pulse duration time. This reliability can be kept for different types of pulses, such as random pulse time interval or random strength. The free choice of the pulse can be explained by the adiabatic representation of the Hamiltonian, and it shows that the control effects are determined by the integral of the control function in the time domain. - Highlights: • “Shortcuts to adiabaticity” is proposed by applying external pulses. • The adiabaticity can be accelerated by increasing pulse strength or duration time. • Control effects are determined by the integral of the control function with respect to time.

Universal fault-tolerant adiabatic quantum computing with quantum dots or donors

Science.gov (United States)

Landahl, Andrew

I will present a conceptual design for an adiabatic quantum computer that can achieve arbitrarily accurate universal fault-tolerant quantum computations with a constant energy gap and nearest-neighbor interactions. This machine can run any quantum algorithm known today or discovered in the future, in principle. The key theoretical idea is adiabatic deformation of degenerate ground spaces formed by topological quantum error-correcting codes. An open problem with the design is making the four-body interactions and measurements it uses more technologically accessible. I will present some partial solutions, including one in which interactions between quantum dots or donors in a two-dimensional array can emulate the desired interactions in second-order perturbation theory. I will conclude with some open problems, including the challenge of reformulating Kitaev's gadget perturbation theory technique so that it preserves fault tolerance. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000.

Molecular wave function and effective adiabatic potentials calculated by extended multi-configuration time-dependent Hartree-Fock method

Energy Technology Data Exchange (ETDEWEB)

Kato, Tsuyoshi; Ide, Yoshihiro; Yamanouchi, Kaoru [Department of Chemistry, School of Science, The University of Tokyo, 7-3-1, Hongo Bunkyo-ku, Tokyo, 113-0033 (Japan)

2015-12-31

We first calculate the ground-state molecular wave function of 1D model H{sub 2} molecule by solving the coupled equations of motion formulated in the extended multi-configuration time-dependent Hartree-Fock (MCTDHF) method by the imaginary time propagation. From the comparisons with the results obtained by the Born-Huang (BH) expansion method as well as with the exact wave function, we observe that the memory size required in the extended MCTDHF method is about two orders of magnitude smaller than in the BH expansion method to achieve the same accuracy for the total energy. Second, in order to provide a theoretical means to understand dynamical behavior of the wave function, we propose to define effective adiabatic potential functions and compare them with the conventional adiabatic electronic potentials, although the notion of the adiabatic potentials is not used in the extended MCTDHF approach. From the comparison, we conclude that by calculating the effective potentials we may be able to predict the energy differences among electronic states even for a time-dependent system, e.g., time-dependent excitation energies, which would be difficult to be estimated within the BH expansion approach.

Theory of tunneling ionization of molecules: Weak-field asymptotics including dipole effects

DEFF Research Database (Denmark)

Tolstikhin, Oleg I.; Morishita, Toru; Madsen, Lars Bojer

2011-01-01

The formulation of the parabolic adiabatic expansion approach to the problem of ionization of atomic systems in a static electric field, originally developed for the axially symmetric case [ Phys. Rev. A 82 023416 (2010)], is generalized to arbitrary potentials. This approach is used to rederive...... the asymptotic theory of tunneling ionization in the weak-field limit. In the atomic case, the resulting formulas for the ionization rate coincide with previously known results. In addition, the present theory accounts for the possible existence of a permanent dipole moment of the unperturbed system and, hence......, applies to polar molecules. Accounting for dipole effects constitutes an important difference of the present theory from the so-called molecular Ammosov-Delone-Krainov theory. The theory is illustrated by comparing exact and asymptotic results for a set of model polar molecules and a realistic molecular...

Cross sections for ionization of tetrahydrofuran by protons at energies between 300 and 3000 keV

Science.gov (United States)

Wang, Mingjie; Rudek, Benedikt; Bennett, Daniel; de Vera, Pablo; Bug, Marion; Buhr, Ticia; Baek, Woon Yong; Hilgers, Gerhard; Rabus, Hans

2016-05-01

Double-differential cross sections for ionization of tetrahydrofuran by protons with energies from 300 to 3000 keV were measured at the Physikalisch-Technische Bundesanstalt ion accelerator facility. The electrons emitted at angles between 15∘ and 150∘ relative to the ion-beam direction were detected with an electrostatic hemispherical electron spectrometer. Single-differential and total ionization cross sections have been derived by integration. The experimental results are compared to the semiempirical Hansen-Kocbach-Stolterfoht model as well as to the recently reported method based on the dielectric formalism. The comparison to the latter showed good agreement with experimental data in a broad range of emission angles and energies of secondary electrons. The scaling property of ionization cross sections for tetrahydrofuran was also investigated. Compared to molecules of different size, the ionization cross sections of tetrahydrofuran were found to scale with the number of valence electrons at large impact parameters.

Higher-order equation-of-motion coupled-cluster methods for ionization processes.

Science.gov (United States)

Kamiya, Muneaki; Hirata, So

2006-08-21

Compact algebraic equations defining the equation-of-motion coupled-cluster (EOM-CC) methods for ionization potentials (IP-EOM-CC) have been derived and computer implemented by virtue of a symbolic algebra system largely automating these processes. Models with connected cluster excitation operators truncated after double, triple, or quadruple level and with linear ionization operators truncated after two-hole-one-particle (2h1p), three-hole-two-particle (3h2p), or four-hole-three-particle (4h3p) level (abbreviated as IP-EOM-CCSD, CCSDT, and CCSDTQ, respectively) have been realized into parallel algorithms taking advantage of spin, spatial, and permutation symmetries with optimal size dependence of the computational costs. They are based on spin-orbital formalisms and can describe both alpha and beta ionizations from open-shell (doublet, triplet, etc.) reference states into ionized states with various spin magnetic quantum numbers. The application of these methods to Koopmans and satellite ionizations of N2 and CO (with the ambiguity due to finite basis sets eliminated by extrapolation) has shown that IP-EOM-CCSD frequently accounts for orbital relaxation inadequately and displays errors exceeding a couple of eV. However, these errors can be systematically reduced to tenths or even hundredths of an eV by IP-EOM-CCSDT or CCSDTQ. Comparison of spectroscopic parameters of the FH+ and NH+ radicals between IP-EOM-CC and experiments has also underscored the importance of higher-order IP-EOM-CC treatments. For instance, the harmonic frequencies of the A 2Sigma- state of NH+ are predicted to be 1285, 1723, and 1705 cm(-1) by IP-EOM-CCSD, CCSDT, and CCSDTQ, respectively, as compared to the observed value of 1707 cm(-1). The small adiabatic energy separation (observed 0.04 eV) between the X 2Pi and a 4Sigma- states of NH+ also requires IP-EOM-CCSDTQ for a quantitative prediction (0.06 eV) when the a 4Sigma- state has the low-spin magnetic quantum number (s(z) = 1/2). When the

Quantum adiabatic approximation and the geometric phase

International Nuclear Information System (INIS)

Mostafazadeh, A.

1997-01-01

A precise definition of an adiabaticity parameter ν of a time-dependent Hamiltonian is proposed. A variation of the time-dependent perturbation theory is presented which yields a series expansion of the evolution operator U(τ)=summation scr(l) U (scr(l)) (τ) with U (scr(l)) (τ) being at least of the order ν scr(l) . In particular, U (0) (τ) corresponds to the adiabatic approximation and yields Berry close-quote s adiabatic phase. It is shown that this series expansion has nothing to do with the 1/τ expansion of U(τ). It is also shown that the nonadiabatic part of the evolution operator is generated by a transformed Hamiltonian which is off-diagonal in the eigenbasis of the initial Hamiltonian. This suggests the introduction of an adiabatic product expansion for U(τ) which turns out to yield exact expressions for U(τ) for a large number of quantum systems. In particular, a simple application of the adiabatic product expansion is used to show that for the Hamiltonian describing the dynamics of a magnetic dipole in an arbitrarily changing magnetic field, there exists another Hamiltonian with the same eigenvectors for which the Schroedinger equation is exactly solvable. Some related issues concerning geometric phases and their physical significance are also discussed. copyright 1997 The American Physical Society

SCF MS Xα determination of ionization energies and atomic populations of octaedral TiO6-8 cluster

International Nuclear Information System (INIS)

Michel-Calendini, F.M.; Chermette, H.; Pertosa, P.

1979-02-01

The ionization energies of titanium and oxygen states in BaTiO 3 crystal have been investigated through the self-consistent-field-Xα-scattered-wave (SCF MS Xα) method, with the Slater transition state model, applied to a TiO 6 -8 cluster of octaedral symmetry. Ionization energies and electronic charge distribution are compared to XPS data and related to results obtained from tight-binding band computations

Adiabatic graph-state quantum computation

International Nuclear Information System (INIS)

Antonio, B; Anders, J; Markham, D

2014-01-01

Measurement-based quantum computation (MBQC) and holonomic quantum computation (HQC) are two very different computational methods. The computation in MBQC is driven by adaptive measurements executed in a particular order on a large entangled state. In contrast in HQC the system starts in the ground subspace of a Hamiltonian which is slowly changed such that a transformation occurs within the subspace. Following the approach of Bacon and Flammia, we show that any MBQC on a graph state with generalized flow (gflow) can be converted into an adiabatically driven holonomic computation, which we call adiabatic graph-state quantum computation (AGQC). We then investigate how properties of AGQC relate to the properties of MBQC, such as computational depth. We identify a trade-off that can be made between the number of adiabatic steps in AGQC and the norm of H-dot as well as the degree of H, in analogy to the trade-off between the number of measurements and classical post-processing seen in MBQC. Finally the effects of performing AGQC with orderings that differ from standard MBQC are investigated. (paper)

Plasma heating by adiabatic compression

International Nuclear Information System (INIS)

Ellis, R.A. Jr.

1972-01-01

These two lectures will cover the following three topics: (i) The application of adiabatic compression to toroidal devices is reviewed. The special case of adiabatic compression in tokamaks is considered in more detail, including a discussion of the equilibrium, scaling laws, and heating effects. (ii) The ATC (Adiabatic Toroidal Compressor) device which was completed in May 1972, is described in detail. Compression of a tokamak plasma across a static toroidal field is studied in this device. The device is designed to produce a pre-compression plasma with a major radius of 17 cm, toroidal field of 20 kG, and current of 90 kA. The compression leads to a plasma with major radius of 38 cm and minor radius of 10 cm. Scaling laws imply a density increase of a factor 6, temperature increase of a factor 3, and current increase of a factor 2.4. An additional feature of ATC is that it is a large tokamak which operates without a copper shell. (iii) Data which show that the expected MHD behavior is largely observed is presented and discussed. (U.S.)

DFTBaby: A software package for non-adiabatic molecular dynamics simulations based on long-range corrected tight-binding TD-DFT(B)

Science.gov (United States)

Humeniuk, Alexander; Mitrić, Roland

2017-12-01

A software package, called DFTBaby, is published, which provides the electronic structure needed for running non-adiabatic molecular dynamics simulations at the level of tight-binding DFT. A long-range correction is incorporated to avoid spurious charge transfer states. Excited state energies, their analytic gradients and scalar non-adiabatic couplings are computed using tight-binding TD-DFT. These quantities are fed into a molecular dynamics code, which integrates Newton's equations of motion for the nuclei together with the electronic Schrödinger equation. Non-adiabatic effects are included by surface hopping. As an example, the program is applied to the optimization of excited states and non-adiabatic dynamics of polyfluorene. The python and Fortran source code is available at http://www.dftbaby.chemie.uni-wuerzburg.de.

Atomic core-ionization energies; approximately piecewise-linear and linear relationships

DEFF Research Database (Denmark)

Avery, James Emil; Avery, John Scales

2008-01-01

as to make all of the members   of the basis set correspond to the energy of the state being   represented. In this paper we apply the method to core ionization in   atoms and atomic ions, using a basis where $\\op{V}_0(\\xx)$ is chosen   to be the nuclear attraction potential. We make use of a large...

Electron Correlation from the Adiabatic Connection for Multireference Wave Functions

Science.gov (United States)

Pernal, Katarzyna

2018-01-01

An adiabatic connection (AC) formula for the electron correlation energy is derived for a broad class of multireference wave functions. The AC expression recovers dynamic correlation energy and assures a balanced treatment of the correlation energy. Coupling the AC formalism with the extended random phase approximation allows one to find the correlation energy only from reference one- and two-electron reduced density matrices. If the generalized valence bond perfect pairing model is employed a simple closed-form expression for the approximate AC formula is obtained. This results in the overall M5 scaling of the computation cost making the method one of the most efficient multireference approaches accounting for dynamic electron correlation also for the strongly correlated systems.

Magnus approximation in the adiabatic picture

International Nuclear Information System (INIS)

Klarsfeld, S.; Oteo, J.A.

1991-01-01

A simple approximate nonperturbative method is described for treating time-dependent problems that works well in the intermediate regime far from both the sudden and the adiabatic limits. The method consists of applying the Magnus expansion after transforming to the adiabatic basis defined by the eigenstates of the instantaneous Hamiltonian. A few exactly soluble examples are considered in order to assess the domain of validity of the approximation. (author) 32 refs., 4 figs

Revised energy levels of singly ionized lanthanum

Science.gov (United States)

Güzelçimen, Feyza; Tonka, Mehdi; Uddin, Zaheer; Bhatti, Naveed Anjum; Windholz, Laurentius; Kröger, Sophie; Başar, Gönül

2018-05-01

Based on the experimental wavenumbers of 344 spectral lines from calibrated Fourier transform (FT) spectra as well as wavenumbers of 81 lines from the wavelength tables from literature, the energy of 115 fine structure levels of singly ionized lanthanum has been revised by weighted global fits. The classifications of the lines are provided by numerous previous investigations of lanthanum by different spectroscopic methods and authors. For the high accurate determination of the center of gravity wavenumbers from the experimental spectrum, the hyperfine constants of the involved levels have been taken into account, if possible. For the 94 levels with known hyperfine constants the accuracy of energy values is better than 0.01 cm-1. For 34 levels the magnetic dipole hyperfine constants A have been determined from FT spectra as part of this work. For four of these 34 levels even electric quadrupole hyperfine constants B could be estimated. For levels, which have experimentally unknown hyperfine constants and which are connected only by lines not found in the FT spectra but taken from literature, the uncertainties of energy values are about a factor of 10 higher. A list of all revised level energies together with a compilation of hyperfine structure data is given as well as a list of all lines used.

Novel latch for adiabatic quantum-flux-parametron logic

International Nuclear Information System (INIS)

Takeuchi, Naoki; Yamanashi, Yuki; Yoshikawa, Nobuyuki; Ortlepp, Thomas

2014-01-01

We herein propose the quantum-flux-latch (QFL) as a novel latch for adiabatic quantum-flux-parametron (AQFP) logic. A QFL is very compact and compatible with AQFP logic gates and can be read out in one clock cycle. Simulation results revealed that the QFL operates at 5 GHz with wide parameter margins of more than ±22%. The calculated energy dissipation was only ∼0.1 aJ/bit, which yields a small energy delay product of 20 aJ·ps. We also designed shift registers using QFLs to demonstrate more complex circuits with QFLs. Finally, we experimentally demonstrated correct operations of the QFL and a 1-bit shift register (a D flip-flop)

The ionizing effect of low-energy cosmic rays from a class II object on its protoplanetary disc

Science.gov (United States)

Rodgers-Lee, D.; Taylor, A. M.; Ray, T. P.; Downes, T. P.

2017-11-01

We investigate the ionizing effect of low-energy cosmic rays (CRs) from a young star on its protoplanetary disc (PPD). We consider specifically the effect of ∼3 GeV protons injected at the inner edge of the PPD. An increase in the ionization fraction as a result of these CRs could allow the magnetorotational instability to operate in otherwise magnetically dead regions of the disc. For the typical values assumed we find an ionization rate of ζCR ∼ 10-17 s-1 at 1 au. The transport equation is solved by treating the propagation of the CRs as diffusive. We find for increasing diffusion coefficients the CRs penetrate further in the PPD, while varying the mass density profile of the disc is found to have little effect. We investigate the effect of an energy spectrum of CRs. The influence of a disc wind is examined by including an advective term. For advective wind speeds between 1 and 100 km s-1 diffusion dominates at all radii considered here (out to 10 au) for reasonable diffusion coefficients. Overall, we find that low-energy CRs can significantly ionize the mid-plane of PPDs out to ∼1 au. By increasing the luminosity or energy of the CRs, within plausible limits, their radial influence could increase to ∼2 au at the mid-plane but it remains challenging to significantly ionize the mid-plane further out.

Semi adiabatic theory of seasonal Markov processes

Energy Technology Data Exchange (ETDEWEB)

Talkner, P [Paul Scherrer Inst. (PSI), Villigen (Switzerland)

1999-08-01

The dynamics of many natural and technical systems are essentially influenced by a periodic forcing. Analytic solutions of the equations of motion for periodically driven systems are generally not known. Simulations, numerical solutions or in some limiting cases approximate analytic solutions represent the known approaches to study the dynamics of such systems. Besides the regime of weak periodic forces where linear response theory works, the limit of a slow driving force can often be treated analytically using an adiabatic approximation. For this approximation to hold all intrinsic processes must be fast on the time-scale of a period of the external driving force. We developed a perturbation theory for periodically driven Markovian systems that covers the adiabatic regime but also works if the system has a single slow mode that may even be slower than the driving force. We call it the semi adiabatic approximation. Some results of this approximation for a system exhibiting stochastic resonance which usually takes place within the semi adiabatic regime are indicated. (author) 1 fig., 8 refs.

Quantum tunneling, adiabatic invariance and black hole spectroscopy

Energy Technology Data Exchange (ETDEWEB)

Li, Guo-Ping; Zu, Xiao-Tao [University of Electronic Science and Technology of China, School of Physical Electronics, Chengdu (China); Pu, Jin [University of Electronic Science and Technology of China, School of Physical Electronics, Chengdu (China); China West Normal University, College of Physics and Space Science, Nanchong (China); Jiang, Qing-Quan [China West Normal University, College of Physics and Space Science, Nanchong (China)

2017-05-15

In the tunneling framework, one of us, Jiang, together with Han has studied the black hole spectroscopy via adiabatic invariance, where the adiabatic invariant quantity has been intriguingly obtained by investigating the oscillating velocity of the black hole horizon. In this paper, we attempt to improve Jiang-Han's proposal in two ways. Firstly, we once again examine the fact that, in different types (Schwarzschild and Painleve) of coordinates as well as in different gravity frames, the adiabatic invariant I{sub adia} = circular integral p{sub i}dq{sub i} introduced by Jiang and Han is canonically invariant. Secondly, we attempt to confirm Jiang-Han's proposal reasonably in more general gravity frames (including Einstein's gravity, EGB gravity and HL gravity). Concurrently, for improving this proposal, we interestingly find in more general gravity theories that the entropy of the black hole is an adiabatic invariant action variable, but the horizon area is only an adiabatic invariant. In this sense, we emphasize the concept that the quantum of the black hole entropy is more natural than that of the horizon area. (orig.)

Adiabatic quantum search algorithm for structured problems

International Nuclear Information System (INIS)

Roland, Jeremie; Cerf, Nicolas J.

2003-01-01

The study of quantum computation has been motivated by the hope of finding efficient quantum algorithms for solving classically hard problems. In this context, quantum algorithms by local adiabatic evolution have been shown to solve an unstructured search problem with a quadratic speedup over a classical search, just as Grover's algorithm. In this paper, we study how the structure of the search problem may be exploited to further improve the efficiency of these quantum adiabatic algorithms. We show that by nesting a partial search over a reduced set of variables into a global search, it is possible to devise quantum adiabatic algorithms with a complexity that, although still exponential, grows with a reduced order in the problem size

Ionization of one- and three-dimensionally-oriented asymmetric-top molecules by intense circularly polarized femtosecond laser pulses

DEFF Research Database (Denmark)

Hansen, Jonas Lerche; Holmegaard, Lotte; Kalhøj, Line

2011-01-01

are quantum-state selected using a deflector and three-dimensionally (3D) aligned and oriented adiabatically using an elliptically polarized laser pulse in combination with a static electric field. A characteristic splitting in the molecular frame photoelectron momentum distribution reveals the position...... of the nodal planes of the molecular orbitals from which ionization occurs. The experimental results are supported by a theoretical tunneling model that includes and quantifies the splitting in the momentum distribution. The focus of the present article is to understand strong-field ionization from 3D...

Spectrum and energy levels of five-times ionized zirconium (Zr VI)

International Nuclear Information System (INIS)

Reader, Joseph; Lindsay, Mark D

2016-01-01

We carried out a new analysis of the spectrum of five-times-ionized zirconium Zr VI. For this we used sliding-spark discharges together with normal- and grazing-incidence spectrographs to observe the spectrum from 160 to 2000 Å. These observations showed that the analysis of this spectrum by Khan et al (1985 Phys. Scr. 31 837) contained a significant number of incorrect energy levels. We have now classified ∼420 lines as transitions between 23 even-parity levels 73 odd-parity levels. The 4s 2 4p 5 , 4s4p 6 , 4s 2 4p 4 4d, 5s, 5d, 6s configurations are now complete, although a few levels of 4s 2 4p 4 5d are tentative. We determined Ritz-type wavelengths for ∼135 lines from the optimized energy levels. The uncertainties range from 0.0003 to 0.0020 Å. Hartree–Fock calculations and least-squares fits of the energy parameters to the observed levels were used to interpret the observed configurations. Oscillator strengths for all classified lines were calculated with the fitted parameters. The results are compared with values for the level energies, percentage compositions, and transition probabilities from recent ab initio theoretical calculations. The ionization energy was revised to 777 380 ± 300 cm −1 (96.38 ± 0.04 eV). (paper)

Approximability of optimization problems through adiabatic quantum computation

CERN Document Server

Cruz-Santos, William

2014-01-01

The adiabatic quantum computation (AQC) is based on the adiabatic theorem to approximate solutions of the Schrödinger equation. The design of an AQC algorithm involves the construction of a Hamiltonian that describes the behavior of the quantum system. This Hamiltonian is expressed as a linear interpolation of an initial Hamiltonian whose ground state is easy to compute, and a final Hamiltonian whose ground state corresponds to the solution of a given combinatorial optimization problem. The adiabatic theorem asserts that if the time evolution of a quantum system described by a Hamiltonian is l

Coulomb correlations in electron and positron impact ionization of hydrogen at intermediate and higher energies

International Nuclear Information System (INIS)

Jetzke, S.; Faisal, F.H.M.

1992-01-01

Investigating the relation between the asymptotic condition and the dynamic Coulomb correlation for single and multiple ionization we discuss a complete set of spatially separable N-electrons final-state wavefunctions, satisfying multiple ionization boundary conditions. We apply these results to electron and positron impact ionization of atomic hydrogen in the energy range 54.4 and 250 eV on the basis of a parameter-free model formulated within the scope of the multiple scattering approach. A comparison between our results and available experimental data and alternative theoretical calculations are made and discussed. (Author)

New values for some 4He I 1snl energy levels, ionization energies, and Lamb shifts

International Nuclear Information System (INIS)

Martin, W.C.

1984-01-01

Recent experimental determinations of energy separations within the 1snl term system (n = 2--6) have been used to reevaluate 35 levels. Most of the levels have estimated errors less than 0.001 cm -1 relative to the 2 3 P levels. Addition of accurate theoretical term values (ionization energies) available for several 1snl levels to the corresponding experimental level values gives generally consistent values for the principal ionization energy (E/sub I/). The theoretical energies are further confirmed by the agreement of the weighted average of seven of these E/sub I/ values with a value obtained by fitting Ritz formulas to three accurately determined 1snl series; the suggested new E/sub I/ is 198 310.7745(40) cm -1 on an energy scale fixed by the value 171 135.0000 cm -1 for 2 1 P. Lamb shifts are derived for the 2, 3, 4 3 S 1 , 2 1 S 0 , 2 3 P 1 , and 2 1 P 1 levels as differences between experimental term values obtained with the new E/sub I/ and corresponding calculated term values not including Lamb shifts. The experimental and calculated values for the 1s 2 1 S 0 ground level relative to the present 1snl excited-level system are 0.00 +- 0.15 and 0.073 +- 0.009 cm -1 , respectively, so that a approx.20-fold increase in the experimental accuracy would be required to test the calculated ground-level Lamb shift

Storm-associated variations of equatorially mirroring ring current protons, 1--800 keV, at constant first adiabatic invariant

International Nuclear Information System (INIS)

Lyons, L.R.; Williams, D.J.

1976-01-01

Explorer 45 observations of ring current protons mirroring near the equator, 1--800 keV, are presented at constant first adiabatic invariant μ throughout the period of the December 17, 1971, geomagnetic storm. To obtain μ, simultaneous magnetic field and particle observations are used. Particle deceleration in response to the storm time magnetic field decrease causes ring current measurements viewed at constant energy to underestimate the storm time increase in proton intensities at energies approximately-less-than200 keV. This adiabatic deceleration also accounts for the large flux decreases observed at energies approximately-greater-than200 keV during the storm, in contradiction with previous results (Soraas and Davis, 1968) obtained using a model for the storm time magnetic field

Single and double ionization of helium by high-energy photon impact

International Nuclear Information System (INIS)

Andersson, L.R.; Burgdoerfer, J.

1993-01-01

Production of singly and doubly charged helium ions by impact of keV photons is studied. The ratio R ph = σ ph ++ /σ ph + for photoabsorption is calculated in the photon-energy range 2--18 keV using correlated initial- and final- state wave functions. Extrapolation towards symptotic photon energies yields R ph (ω → ∞) = 1.66% in agreement with previous predictions. Ionization due to Compton scattering, which becomes comparable to photoabsorption above ω ∼ 3 keV, is discussed

Path-integral isomorphic Hamiltonian for including nuclear quantum effects in non-adiabatic dynamics

Science.gov (United States)

Tao, Xuecheng; Shushkov, Philip; Miller, Thomas F.

2018-03-01

We describe a path-integral approach for including nuclear quantum effects in non-adiabatic chemical dynamics simulations. For a general physical system with multiple electronic energy levels, a corresponding isomorphic Hamiltonian is introduced such that Boltzmann sampling of the isomorphic Hamiltonian with classical nuclear degrees of freedom yields the exact quantum Boltzmann distribution for the original physical system. In the limit of a single electronic energy level, the isomorphic Hamiltonian reduces to the familiar cases of either ring polymer molecular dynamics (RPMD) or centroid molecular dynamics Hamiltonians, depending on the implementation. An advantage of the isomorphic Hamiltonian is that it can easily be combined with existing mixed quantum-classical dynamics methods, such as surface hopping or Ehrenfest dynamics, to enable the simulation of electronically non-adiabatic processes with nuclear quantum effects. We present numerical applications of the isomorphic Hamiltonian to model two- and three-level systems, with encouraging results that include improvement upon a previously reported combination of RPMD with surface hopping in the deep-tunneling regime.

Stability of impulsively-driven natural convection with unsteady base state: implications of an adiabatic boundary

International Nuclear Information System (INIS)

Ihle, Christian F.; Nino, Yarko

2011-01-01

Stability conditions of a quiescent, horizontally infinite fluid layer with adiabatic bottom subject to sudden cooling from above are studied. Here, at difference from Rayleigh-Benard convection, the temperature base state is never steady. Instability limits are studied using linear analysis while stability is analyzed using the energy method. Critical stability curves in terms of Rayleigh numbers and convection onset times were obtained for several kinematic boundary conditions. Stability curves resulting from energy and linear approaches exhibit the same temporal growth rate for large values of time, suggesting a bound for the temporal asymptotic behavior of the energy method. - Highlights: → Non-penetrative convection appears after a time-evolving temperature base state. → Global stability and instability limits were analyzed. → Critical Rayleigh numbers were computed for different kinematic boundary conditions. → Adiabatic, bottom boundary was found to have a de-stabilizing effect. → System is less stable than in Benard convection.

Nonlinear ionization of many-electron systems over a broad photon-energy range

International Nuclear Information System (INIS)

Karamatskou, Antonia

2015-11-01

Rapid developments in laser technology and, in particular, the advances in the realm of free-electron lasers have initiated tremendous progress in both theoretical and experimental atomic, molecular and optical physics. Owing to high intensities in combination with short pulse durations we can enter the utterly nonlinear regime of light-matter interaction and study the dynamics and features of matter under extreme conditions. The capabilities of X-ray free-electron laser sources have promoted the importance of nonlinear optics also in the X-ray regime. I show in my thesis how we can exploit the nonlinear response regime to reveal hidden information about resonance structures that are not resolved in the weak-field regime. This prospect points to many applications for future investigations of various complex systems with free-electron lasers. In the present thesis the interaction of atomic closed-shell systems with ultrashort and strong laser pulses is investigated. Over a broad photon-energy range the characteristics of the atomic shell are studied with a particular focus on the nonlinear response regime and on electron correlation effects. Several computational extensions of the XCID package for multi-electron dynamics are presented and their applications in various studies are demonstrated; a completely new capability of the numerical method is realized by implementing the calculation of photoelectron spectra and by calculating eigenstates of the many-electron Hamiltonian. The field of study within the present work encompasses (1) the strong-field regime, where the question of the adiabatic character in tunneling ionization is discussed and analyzed, especially for the case of few-cycle pulses; (2) the XUV regime, in which we show for the first time that the collectivity in resonant excitation reveals new information; and (3) the (hard) x-ray regime, which is highly relevant for x-ray free-electron laser experiments, and where we show how important two

Charge transfer collisions of Si^3+ with H at low energies

Science.gov (United States)

Joseph, D. C.; Gu, J. P.; Saha, B. C.

2009-11-01

Charge transfer of positively charged ions with atomic hydrogen is important not only in magnetically confined plasmas between impurity ions and H atoms from the chamber walls influences the overall ionization balance and effects the plasma cooling but also in astrophysics, where it plays a key role in determining the properties of the observed gas. It also provides a recombination mechanism for multiply charged ions in X-ray ionized astronomical environments. We report an investigation using the molecular-orbital close-coupling (MOCC) method, both quantum mechanically and semi-classically, in the adiabatic representation. Ab initio adiabatic potentials and coupling matrix elements--radial and angular--are calculated using the MRD-CI method. Comparison of our results with other theoretical as well as experimental findings will be discussed.

Total, partial and differential ionization cross sections in proton-hydrogen collisions at low energy

Energy Technology Data Exchange (ETDEWEB)

Zou, Shiyang [Graduate University for Advanced Studies, School of Mathematical and Physical Science, Toki, Gifu (Japan); Pichl, Lukas [University of Aizu, Foundation of Computer Science Laboratory, Aizuwakamatsu, Fukushima (Japan); Kimura, Mineo [Yamaguchi Univ., Graduate School of Science and Engineering, Ube, Yamaguchi (Japan); Kato, Takako [National Inst. for Fusion Science, Toki, Gifu (Japan)

2003-01-01

Single-differential, partial and total ionization cross sections for the proton-hydrogen collision system at low energy range (0.1-10 keV/amu) are determined by using the electron translation factor corrected molecular-orbital close-coupling method. Full convergence of ionization cross sections as a function of H{sub 2}{sup +} molecular basis size is achieved by including up to 10 bound states, and 11 continuum partial waves. The present cross sections are in an excellent agreement with the recent experiments of Shah et al., but decrease more rapidly than the cross sections measured by Pieksma et al. with decreasing energy. The calculated cross section data are included in this report. (author)

Adiabatic invariants in stellar dynamics. 2: Gravitational shocking

Science.gov (United States)

Weinberg, Martin D.

1994-01-01

A new theory of gravitational shocking based on time-dependent perturbation theory shows that the changes in energy and angular momentum due to a slowly varying disturbance are not exponentially small for stellar dynamical systems in general. It predicts significant shock heating by slowly varying perturbations previously thought to be negligible according to the adiabatic criterion. The theory extends the scenarios traditionally computed only with the impulse approximation and is applicable to a wide class of disturbances. The approach is applied specifically to the problem of disk shocking of star clusters.

Are the reactions of quinones on graphite adiabatic?

International Nuclear Information System (INIS)

Luque, N.B.; Schmickler, W.

2013-01-01

Outer sphere electron transfer reactions on pure metal electrodes are often adiabatic and hence independent of the electrode material. Since it is not clear, whether adiabatic electron transfer can also occur on a semi-metal like graphite, we have re-investigated experimental data presented in a recent communication by Nissim et al. [Chemical Communications 48 (2012) 3294] on the reactions of quinones on graphite. We have supplemented their work by DFT calculations and conclude, that these reactions are indeed adiabatic. This contradicts the assertion of Nissim et al. that the rates are proportional to the density of states at the Fermi level

Determination of the fine structure in the ionization plots obtained from a mass spectrometer with a large energy dispersion

International Nuclear Information System (INIS)

Deruaz, Daniel.

1974-01-01

The precise determination of ionization potentials, fragment ion appearance potentials and different excited state levels of the positive ions formed, together with phenomena due to an electron impact, were studied from ionization efficiency curves obtained by mass spectrometry. A standard ion source and an analytical method of electron energy dispersion reduction were used to study fine structures of ionization efficiency curves. Since the mass spectrometer was not adapted for the acquisition of ionization efficiency curve data an electronic system was designed to record these curves automatically. A precise stepwise potential variation of 45+-0.04mV was obtained, and for each step an intensity proportional to the number of ions created by the fragment considered, the additional gain being 4.4 and the linearity greater than 1% over a 13-volt region. Before each set of measurements the scattering was determined by calculation of the second derivative of a logistic function deduced from the cubic regression of the experimental helium function ionization efficiency curve values. The precision, given by the variance analysis SNEDECOR F test, is higher than 1/1000. For each series of recordings the numerical values were processed by a computer to raise by twenty the signal to noise ratio and calculate the ionization efficiency curve values by the energy difference method and the iterative unfolding method. In this way a high sensitivity was obtained for the determination of the curves near the ionization threshold, and a precision below 50MeV (at least equivalent to that given by ionization cells with quasi-monoenergetic electron beams) for the values of the ionization potentials, the appearance potentials and the excited state energy levels. In order to judge the reliability of the technique the ionization potentials of a set of eleven complex molecules were determined and compared with the results obtained by photoionization and photoelectron spectrometry [fr

Ionization of multielectronic atoms by proton impact at high and intermediate energies

International Nuclear Information System (INIS)

Fainstein, P.D.; Ponce, V.H.; Rivarola, R.D.

1988-01-01

In this work, it is studied Ne ionization by proton impact at high and intermediate energies using the CDW-EIS model. Calculations on simple and double differential cross sections are presented. The results are compared to available experimental data. (A.C.A.S.) [pt

VUV photoionization of acetamide studied by electron/ion coincidence spectroscopy in the 8-24 eV photon energy range

KAUST Repository

Schwell, Martin; Bé nilan, Yves; Fray, Nicolas; Gazeau, Marie Claire; Es-sebbar, Et-touhami; Garcí a, Gustavo A.; Nahon, Laurent; Champion, Norbert; Leach, Sydney Sydney

2012-01-01

A VUV photoionization study of acetamide was carried out over the 8-24 eV photon energy range using synchrotron radiation and photoelectron/photoion coincidence (PEPICO) spectroscopy. Threshold photoelectron photoion coincidence (TPEPICO) measurements were also made. Photoion yield curves and branching ratios were measured for the parent ion and six fragment ions. The adiabatic ionization energy of acetamide was determined as I.E. (1 2A′) = (9.71 ± 0.02) eV, in agreement with an earlier reported photoionization mass spectrometry (PIMS) value. The adiabatic energy of the first excited state of the ion, 1 2A″, was determined to be ≈10.1 eV. Assignments of the fragment ions and the pathways of their formation by dissociative photoionization were made. The neutral species lost in the principal dissociative photoionization processes are CH 3, NH 2, NH 3, CO, HCCO and NH 2CO. Heats of formation are derived for all ions detected and are compared with literature values. Some astrophysical implications of these results are discussed. © 2011 Elsevier B.V. All rights reserved.

Electronic energy transfer through non-adiabatic vibrational-electronic resonance. II. 1D spectra for a dimer

Science.gov (United States)

Tiwari, Vivek; Jonas, David M.

2018-02-01

Vibrational-electronic resonance in photosynthetic pigment-protein complexes invalidates Förster's adiabatic framework for interpreting spectra and energy transfer, thus complicating determination of how the surrounding protein affects pigment properties. This paper considers the combined effects of vibrational-electronic resonance and inhomogeneous variations in the electronic excitation energies of pigments at different sites on absorption, emission, circular dichroism, and hole-burning spectra for a non-degenerate homodimer. The non-degenerate homodimer has identical pigments in different sites that generate differences in electronic energies, with parameters loosely based on bacteriochlorophyll a pigments in the Fenna-Matthews-Olson antenna protein. To explain the intensity borrowing, the excited state vibrational-electronic eigenvectors are discussed in terms of the vibrational basis localized on the individual pigments, as well as the correlated/anti-correlated vibrational basis delocalized over both pigments. Compared to those in the isolated pigment, vibrational satellites for the correlated vibration have the same frequency and precisely a factor of 2 intensity reduction through vibrational delocalization in both absorption and emission. Vibrational satellites for anti-correlated vibrations have their relaxed emission intensity reduced by over a factor 2 through vibrational and excitonic delocalization. In absorption, anti-correlated vibrational satellites borrow excitonic intensity but can be broadened away by the combination of vibronic resonance and site inhomogeneity; in parallel, their vibronically resonant excitonic partners are also broadened away. These considerations are consistent with photosynthetic antenna hole-burning spectra, where sharp vibrational and excitonic satellites are absent. Vibrational-excitonic resonance barely alters the inhomogeneously broadened linear absorption, emission, and circular dichroism spectra from those for a

Adiabatic burst evaporation from bicontinuous nanoporous membranes

Science.gov (United States)

Ichilmann, Sachar; Rücker, Kerstin; Haase, Markus; Enke, Dirk

2015-01-01

Evaporation of volatile liquids from nanoporous media with bicontinuous morphology and pore diameters of a few 10 nm is an ubiquitous process. For example, such drying processes occur during syntheses of nanoporous materials by sol–gel chemistry or by spinodal decomposition in the presence of solvents as well as during solution impregnation of nanoporous hosts with functional guests. It is commonly assumed that drying is endothermic and driven by non-equilibrium partial pressures of the evaporating species in the gas phase. We show that nearly half of the liquid evaporates in an adiabatic mode involving burst-like liquid-to-gas conversions. During single adiabatic burst evaporation events liquid volumes of up to 107 μm3 are converted to gas. The adiabatic liquid-to-gas conversions occur if air invasion fronts get unstable because of the built-up of high capillary pressures. Adiabatic evaporation bursts propagate avalanche-like through the nanopore systems until the air invasion fronts have reached new stable configurations. Adiabatic cavitation bursts thus compete with Haines jumps involving air invasion front relaxation by local liquid flow without enhanced mass transport out of the nanoporous medium and prevail if the mean pore diameter is in the range of a few 10 nm. The results reported here may help optimize membrane preparation via solvent-based approaches, solution-loading of nanopore systems with guest materials as well as routine use of nanoporous membranes with bicontinuous morphology and may contribute to better understanding of adsorption/desorption processes in nanoporous media. PMID:25926406

Adiabatically steered open quantum systems: Master equation and optimal phase

International Nuclear Information System (INIS)

Salmilehto, J.; Solinas, P.; Ankerhold, J.; Moettoenen, M.

2010-01-01

We introduce an alternative way to derive the generalized form of the master equation recently presented by J. P. Pekola et al. [Phys. Rev. Lett. 105, 030401 (2010)] for an adiabatically steered two-level quantum system interacting with a Markovian environment. The original derivation employed the effective Hamiltonian in the adiabatic basis with the standard interaction picture approach but without the usual secular approximation. Our approach is based on utilizing a master equation for a nonsteered system in the first superadiabatic basis. It is potentially efficient in obtaining higher-order equations. Furthermore, we show how to select the phases of the adiabatic eigenstates to minimize the local adiabatic parameter and how this selection leads to states which are invariant under a local gauge change. We also discuss the effects of the adiabatic noncyclic geometric phase on the master equation.

Fine structure and ionization energy of the 1s2s2p 4P state of the helium negative ion He-.

Science.gov (United States)

Wang, Liming; Li, Chun; Yan, Zong-Chao; Drake, G W F

2014-12-31

The fine structure and ionization energy of the 1s2s2p (4)P state of the helium negative ion He(-) are calculated in Hylleraas coordinates, including relativistic and QED corrections up to O(α(4)mc(2)), O((μ/M)α(4)mc(2)), O(α(5)mc(2)), and O((μ/M)α(5)mc(2)). Higher order corrections are estimated for the ionization energy. A comparison is made with other calculations and experiments. We find that the present results for the fine structure splittings agree with experiment very well. However, the calculated ionization energy deviates from the experimental result by about 1 standard deviation. The estimated theoretical uncertainty in the ionization energy is much less than the experimental accuracy.

Adiabatic compression of elongated field-reversed configurations

International Nuclear Information System (INIS)

Spencer, R.L.; Tuszewski, M.; Linford, R.K.

1983-01-01

The adiabatic compression of an elongated field-reversed configuration (FRC) is computed by using a one-dimensional approximation. The one-dimensional results are checked against a two-dimensional equilibrium code. For ratios of FRC separatrix length to separatrix radius greater than about ten, the one-dimensional results are accurate within 10%. To this accuracy, the adiabatic compression of FRC's can be described by simple analytic formulas

Superconducting system for adiabatic quantum computing

Energy Technology Data Exchange (ETDEWEB)

Corato, V [Dipartimento di Ingegneria dell' Informazione, Second University of Naples, 81031 Aversa (Italy); Roscilde, T [Department of Physics and Astronomy, University of Southern California, Los Angeles, CA 90089-0484 (Canada); Ruggiero, B [Istituto di Cibernetica ' E.Caianiello' del CNR, I-80078, Pozzuoli (Italy); Granata, C [Istituto di Cibernetica ' E.Caianiello' del CNR, I-80078, Pozzuoli (Italy); Silvestrini, P [Dipartimento di Ingegneria dell' Informazione, Second University of Naples, 81031 Aversa (Italy)

2006-06-01

We study the Hamiltonian of a system of inductively coupled flux qubits, which has been theoretically proposed for adiabatic quantum computation to handle NP problems. We study the evolution of a basic structure consisting of three coupled rf-SQUIDs upon tuning the external flux bias, and we show that the adiabatic nature of the evolution is guaranteed by the presence of the single-SQUID gap. We further propose a scheme and the first realization of an experimental device suitable for verifying the theoretical results.

Adiabatic quantum computation

Science.gov (United States)

Albash, Tameem; Lidar, Daniel A.

2018-01-01

Adiabatic quantum computing (AQC) started as an approach to solving optimization problems and has evolved into an important universal alternative to the standard circuit model of quantum computing, with deep connections to both classical and quantum complexity theory and condensed matter physics. This review gives an account of the major theoretical developments in the field, while focusing on the closed-system setting. The review is organized around a series of topics that are essential to an understanding of the underlying principles of AQC, its algorithmic accomplishments and limitations, and its scope in the more general setting of computational complexity theory. Several variants are presented of the adiabatic theorem, the cornerstone of AQC, and examples are given of explicit AQC algorithms that exhibit a quantum speedup. An overview of several proofs of the universality of AQC and related Hamiltonian quantum complexity theory is given. Considerable space is devoted to stoquastic AQC, the setting of most AQC work to date, where obstructions to success and their possible resolutions are discussed.

Design and thermodynamic analysis of a hybrid energy storage system based on A-CAES (adiabatic compressed air energy storage) and FESS (flywheel energy storage system) for wind power application

International Nuclear Information System (INIS)

Zhao, Pan; Dai, Yiping; Wang, Jiangfeng

2014-01-01

Electricity generated from renewable wind sources is highly erratic due to the intermittent nature of wind. This uncertainty of wind power can lead to challenges regarding power system operation and dispatch. Energy storage system in conjunction with wind energy system can offset these effects, making the wind power controllable. Moreover, the power spectrum of wind power exhibits that the fluctuations of wind power include various components with different frequencies and amplitudes. Thus, the hybrid energy storage system is more suitable for smoothing out the wind power fluctuations effectively rather than the independent energy storage system. A hybrid energy storage system consisting of adiabatic compressed air energy storage (A-CAES) system and flywheel energy storage system (FESS) is proposed for wind energy application. The design of the proposed system is laid out firstly. The A-CAES system operates in variable cavern pressure, constant turbine inlet pressure mode, whereas the FESS is controlled by constant power strategy. Then, the off-design analysis of the proposed system is carried out. Meanwhile, a parametric analysis is also performed to investigate the effects of several parameters on the system performance, including the ambient conditions, inlet temperature of compressor, storage cavern temperature, maximum and minimum pressures of storage cavern. - Highlights: • A wind-hybrid energy storage system composed of A-CAES and FESS is proposed. • The design of the proposed hybrid energy storage system is laid out. • The off-design analysis of the proposed system is carried out. • A parametric analysis is conducted to examine the system performance

Dependence of adiabatic population transfer on pulse profile

Indian Academy of Sciences (India)

Control of population transfer by rapid adiabatic passage has been an established technique wherein the exact amplitude profile of the shaped pulse is considered to be insignificant. We study the effect of ultrafast shaped pulses for two-level systems, by density-matrix approach. However, we find that adiabaticity depends ...

Adiabatic, chaotic and quasi-adiabatic charged particle motion in two-dimensional magnetic field reversals

International Nuclear Information System (INIS)

Buechner, J.M.

1989-01-01

For a number of problems in the Plasma Astrophysics it is necessary to know the laws, which govern the non adiabatic charged particle dynamics in strongly curves magnetic field reversals. These are, e.q., the kinetic theory of the microscopic and macroscopicstability of current sheets in collionless plasma, of microturbulence, causing anomalous resistivity and dissipating currents, the problem of spontaneous reconnection, the formation of non Maxwellian distribution functions, particle acceleration and the use of particles as a diagnostic tool ('tracers'). To find such laws we derived from the differential equations of motion discrete mappings. These mappings allow an investigation of the motion after the break down of the adiabaticity of the magnetic moment. (author). 32 refs.; 5 figs.; 1 tab

Recent developments in trapping and manipulation of atoms with adiabatic potentials

Science.gov (United States)

Garraway, Barry M.; Perrin, Hélène

2016-09-01

A combination of static and oscillating magnetic fields can be used to ‘dress’ atoms with radio-frequency (RF), or microwave, radiation. The spatial variation of these fields can be used to create an enormous variety of traps for ultra-cold atoms and quantum gases. This article reviews the type and character of these adiabatic traps and the applications which include atom interferometry and the study of low-dimensional quantum systems. We introduce the main concepts of magnetic traps leading to adiabatic dressed traps. The concept of adiabaticity is discussed in the context of the Landau-Zener model. The first bubble trap experiment is reviewed together with the method used for loading it. Experiments based on atom chips show the production of double wells and ring traps. Dressed atom traps can be evaporatively cooled with an additional RF field, and a weak RF field can be used to probe the spectroscopy of the adiabatic potentials. Several approaches to ring traps formed from adiabatic potentials are discussed, including those based on atom chips, time-averaged adiabatic potentials and induction methods. Several proposals for adiabatic lattices with dressed atoms are also reviewed.

Adiabatic compression of elongated field-reversed configurations

Energy Technology Data Exchange (ETDEWEB)

Spencer, R.L.; Tuszewski, M.; Linford, R.K.

1983-06-01

The adiabatic compression of an elongated field-reversed configuration (FRC) is computed by using a one-dimensional approximation. The one-dimensional results are checked against a two-dimensional equilibrium code. For ratios of FRC separatrix length to separatrix radius greater than about ten, the one-dimensional results are accurate within 10%. To this accuracy, the adiabatic compression of FRC's can be described by simple analytic formulas.

Search for a double-collision mechanism as a possible interpretation for ionization by low-energy light-ion impact

International Nuclear Information System (INIS)

Avaldi, L.; Magno, C.; Milazzo, M.; Rota, A.

1981-01-01

In a previous work the authors proposed, in the frame of the binary-encounter approximation (BEA) of the inner-shell atomic ionization by ion bombardment, a correction to the ion energy in order to account for the Coulomb repulsion by the atomic nucleus. Such corrected cross-section values numerically coincide with those of the PWBA model, but, as a consequence of the correction, they obtain a much higher-energy ionization threshold than the binding energy, which has no experimental evidence. In the present work it is shown that ionization below such a threshold can be explained by a double-collision mechanism which involves intermediate electron states and can directly be derived from the impulsive nature of the binary-collision model. Calculations have been performed by supposing a statistical independence between these two collisions. Relativistic corrections have not been taken into account. A remarkable agreement is obtained between the curves corresponding to single- and double-collision classical processes, since they match at the bombarding threshold ion energy. (author)

Chemical effects of ionizing radiation and sonic energy in the context of chemical evolution

International Nuclear Information System (INIS)

Negron Mendoza, A.; Albarran, G.

1992-01-01

Ionizing radiation and sonic energy are considered as sources for chemical evolution processes. These sources have still a modest place in the interdisciplinary approach for the prebiological synthesis of organic compounds. Studies in Radiation Chemistry and Sonochemistry can provide a deeper insight into the chemical processes that may have importance for prebiotic chemistry. The present work concerns the analysis of some chemical reactions induced by ionizing radiation or cavitation in aqueous media that may be relevant to chemical evolution studies. (author)

Adiabatic Compression Sensitivity of AF-M315E

Science.gov (United States)

2015-07-01

Brand for their technical expertise and guidance. He also wishes to thank Mr. Stephen McKim from NASA Goddard Space Flight Center for his assistance...Wilson, D. B., and Stoltzfus, J. M. "Adiabatic Compression of Oxygen: Real Fluid Temperatures," 2000. 10Ismail, I. M. K., and Hawkins , T. W. "Adiabatic

Adiabatic and non-adiabatic electron oscillations in a static electric field

International Nuclear Information System (INIS)

Wahlberg, C.

1977-03-01

The influence of a static electric field on the oscillations of a one-dimensional stream of electrons is investigated. In the weak field limit the oscillations are adiabatic and mode coupling negligible, but becomes significant if the field is tronger. The latter effect is believed to be of importance for the stability of e.g. potential double layers

Muon transfer rates in collisions of hydrogen isotope mesic atoms on 'bare' nuclei. Multichannel adiabatic approach

International Nuclear Information System (INIS)

Korobov, V.I.; Melezhik, V.S.; Ponomarev, L.I.

1992-01-01

A numerical scheme for solving the problem of slow collisions in the three-body adiabatic approach is applied for calculation of muon transfer rates in collisions of hydrogen isotope atoms on bare nuclei. It is demonstrated that the multichannel adiabatic approach allows one to reach high accuracy results (∼3%) estimating the cross sections of charge transfer processes which are the best ones up to date. The method is appliable in a wide range of energies (0.001-50 eV) which is of interest for analysis of muon catalysed fusion experiments. 20 refs.; 3 figs.; 5 tabs

Power-to-heat in adiabatic compressed air energy storage power plants for cost reduction and increased flexibility

Science.gov (United States)

Dreißigacker, Volker

2018-04-01

The development of new technologies for large-scale electricity storage is a key element in future flexible electricity transmission systems. Electricity storage in adiabatic compressed air energy storage (A-CAES) power plants offers the prospect of making a substantial contribution to reach this goal. This concept allows efficient, local zero-emission electricity storage on the basis of compressed air in underground caverns. The compression and expansion of air in turbomachinery help to balance power generation peaks that are not demand-driven on the one hand and consumption-induced load peaks on the other. For further improvements in cost efficiencies and flexibility, system modifications are necessary. Therefore, a novel concept regarding the integration of an electrical heating component is investigated. This modification allows increased power plant flexibilities and decreasing component sizes due to the generated high temperature heat with simultaneously decreasing total round trip efficiencies. For an exemplarily A-CAES case simulation studies regarding the electrical heating power and thermal energy storage sizes were conducted to identify the potentials in cost reduction of the central power plant components and the loss in round trip efficiency.

Quasi-adiabatic Switching for Metal-Island Quantum-dot Cellular Automata

OpenAIRE

Toth, Geza; Lent, Craig S.

2000-01-01

Recent experiments have demonstrated a working cell suitable for implementing the Quantum-dot Cellular Automata (QCA) paradigm. These experiments have been performed using metal island clusters. The most promising approach to QCA operation involves quasi-adiabatically switching the cells. This has been analyzed extensively in gated semiconductor cells. Here we present a metal island cell structure that makes quasi-adiabatic switching possible. We show how this permits quasi-adiabatic clocking...

Non-adiabatic effect on Laughlin's argument of the quantum Hall effect

International Nuclear Information System (INIS)

Maruyama, I; Hatsugai, Y

2009-01-01

We have numerically studied a non-adiabatic charge transport in the quantum Hall system pumped by a magnetic flux, as one of the simplest theoretical realizations of non-adiabatic Thouless pumping. In the adiabatic limit, a pumped charge is quantized, known as Laughlin's argument in a cylindrical lattice. In a uniform electric field, we obtained a formula connecting quantized pumping in the adiabatic limit and no-pumping in the sudden limit. The intermediate region between the two limits is determined by the Landau gap. A randomness or impurity effect is also discussed.

A validation of a simple model for the calculation of the ionization energies in X-ray laser-cluster interactions

Energy Technology Data Exchange (ETDEWEB)

White, Jeff; Ackad, Edward [Department of Physics, Southern Illinois University Edwardsville, Edwardsville, Illinois 62026 (United States)

2015-02-15

The outer-ionization of an electron from a cluster is an unambiguous quantity, while the inner-ionization threshold is not, resulting in different microscopic quantum-classical hybrid models used in laser-cluster interactions. A simple local ionization threshold model for the change in the ionization energy is proposed and examined, for atoms and ions, at distances in between the initial configuration of the cluster to well into the cluster's disintegration. This model is compared with a full Hartree-Fock energy calculation which accounts for the electron correlation effects using the coupled cluster method with single and double excitations with perturbative triples (CCSD(T)). Good agreement is found between the two lending a strong theoretical support to works which rely on such models for the final and transient properties of the laser-cluster interaction.

Thick-target method in the measurement of inner-shell ionization cross-sections by low-energy electron impact

International Nuclear Information System (INIS)

An, Z.; Wu, Y.; Liu, M.T.; Duan, Y.M.; Tang, C.H.

2006-01-01

In this paper, we have studied the thick-target method for the measurements of atomic inner-shell ionization cross-section or X-ray production cross-section by keV electron impact. We find that in the processes of electron impact on the thick targets, the ratios of the characteristic X-ray yields of photoelectric ionization by bremsstrahlung to the total characteristic X-ray yields are Z-dependent and shell-dependent, and the ratios also show the weak energy-dependence. In addition, in the lower incident energy region (i.e. U < 5-6), the contribution from the rediffusion effect and the secondary electrons can be negligible. In general, the thick-target method can be appropriately applied to the measurements of atomic inner-shell ionization cross-sections or X-ray production cross-sections by electron impact for low and medium Z elements in the lower incident electron energy (i.e. U < 5-6). The experimental accuracies by the thick-target method can reach to the level equivalent or superior to the accuracies of experimental data based on the thin-target method. This thick-target method has been applied to the measurement of K-shell ionization cross-sections of Ni element by electron impact in this paper

Moment distributions of clusters and molecules in the adiabatic rotor model

Science.gov (United States)

Ballentine, G. E.; Bertsch, G. F.; Onishi, N.; Yabana, K.

2008-01-01

We present a Fortran program to compute the distribution of dipole moments of free particles for use in analyzing molecular beams experiments that measure moments by deflection in an inhomogeneous field. The theory is the same for magnetic and electric dipole moments, and is based on a thermal ensemble of classical particles that are free to rotate and that have moment vectors aligned along a principal axis of rotation. The theory has two parameters, the ratio of the magnetic (or electric) dipole energy to the thermal energy, and the ratio of moments of inertia of the rotor. Program summaryProgram title:AdiabaticRotor Catalogue identifier:ADZO_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/ADZO_v1_0.html Program obtainable from:CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions:Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.:479 No. of bytes in distributed program, including test data, etc.:4853 Distribution format:tar.gz Programming language:Fortran 90 Computer:Pentium-IV, Macintosh Power PC G4 Operating system:Linux, Mac OS X RAM:600 Kbytes Word size:64 bits Classification:2.3 Nature of problem:The system considered is a thermal ensemble of rotors having a magnetic or electric moment aligned along one of the principal axes. The ensemble is placed in an external field which is turned on adiabatically. The problem is to find the distribution of moments in the presence of the external field. Solution method:There are three adiabatic invariants. The only nontrivial one is the action associated with the polar angle of the rotor axis with respect to external field. It is found by Newton's method. Running time:3 min on a 3 GHz Pentium IV processor.

Coupled-Sturmian and perturbative treatments of electron transfer and ionization in high-energy p-He+ collisions

Science.gov (United States)

Winter, Thomas G.; Alston, Steven G.

1992-02-01

Cross sections have been determined for electron transfer and ionization in collisions between protons and He+ ions at proton energies from several hundred kilo-electron-volts to 2 MeV. A coupled-Sturmian approach is taken, extending the work of Winter [Phys. Rev. A 35, 3799 (1987)] and Stodden et al. [Phys. Rev. A 41, 1281 (1990)] to high energies where perturbative approaches are expected to be valid. An explicit connection is made with the first-order Born approximation for ionization and the impulse version of the distorted, strong-potential Born approximation for electron transfer. The capture cross section is shown to be affected by the presence of target basis functions of positive energy near v2/2, corresponding to the Thomas mechanism.

Coupled-Sturmian and perturbative treatments of electron transfer and ionization in high-energy p-He+ collisions

International Nuclear Information System (INIS)

Winter, T.G.; Alston, S.G.

1992-01-01

Cross sections have been determined for electron transfer and ionization in collisions between protons and He + ions at proton energies from several hundred kilo-electron-volts to 2 MeV. A coupled-Sturmian approach is taken, extending the work of Winter [Phys. Rev. A 35, 3799 (1987)] and Stodden et al. [Phys. Rev. A 41, 1281 (1990)] to high energies where perturbative approaches are expected to be valid. An explicit connection is made with the first-order Born approximation for ionization and the impulse version of the distorted, strong-potential Born approximation for electron transfer. The capture cross section is shown to be affected by the presence of target basis functions of positive energy near v 2 /2, corresponding to the Thomas mechanism

Photoabsorption and Compton scattering in ionization of helium at high photon energies

International Nuclear Information System (INIS)

Andersson, L.R.; Burgdoerfer, J.; Tennessee Univ., Knoxville, TN

1993-01-01

Production of singly and doubly charged helium ions by impact of keV photons is studied. The ratio R ph = σ ph ++ /σ ph + for photoabsorption is calculated in the photon-energy range 2--18 keV using correlated initial- and final- state wave functions. Extrapolation towards asymptotic photon energies yields R ph (ω → ∞) = 1.66% in agreement with previous predictions. Ionization due to Compton scattering, which becomes comparable to photoabsorption above ω ∼ 3 keV, is discussed

Constraints on the Adiabatic Temperature Change in Magnetocaloric Materials

DEFF Research Database (Denmark)

Nielsen, Kaspar Kirstein; Bahl, Christian Robert Haffenden; Smith, Anders

2010-01-01

The thermodynamics of the magnetocaloric effect implies constraints on the allowed variation in the adiabatic temperature change for a magnetocaloric material. An inequality for the derivative of the adiabatic temperature change with respect to temperature is derived for both first- and second...

Experimental study on the adiabatic shear bands

International Nuclear Information System (INIS)

Affouard, J.

1984-07-01

Four martensitic steels (Z50CDV5 steel, 28CND8 steel, 35NCDV16 steel and 4340 steel) with different hardness between 190 and 600 Hsub(B) (Brinell hardness), have been studied by means of dynamic compressive tests on split Hopkinson pressure bar. Microscopic observations show that the fracture are associated to the development of adiabatic shear bands (except 4340 steel with 190 Hsub(B) hardness). By means of tests for which the deformation is stopped at predetermined levels, the measurement of shear and hardness inside the band and the matrix indicates the chronology of this phenomenon: first the localization of shear, followed by the formation of adiabatic shear band and ultimatly crack initiation and propagation. These results correlated with few simulations by finite elements have permitted to suggest two mecanisms of deformation leading to the formation of adiabatic shear bands in this specific test [fr

Derivation of an adiabatic time-dependent Hartree-Fock formalism from a variational principle

International Nuclear Information System (INIS)

Brink, D.M.; Giannoni, M.J.; Veneroni, M.

1975-10-01

A derivation of the adiabatic time-dependent Hartree-Fock formalism is given, which is based on a variational principle analogous to Hamilton's principle in classical mechanics. The method leads to a Hamiltonian for collective motion which separates into a potential and a kinetic energy and gives mass and potential parameters in terms of the nucleon-nucleon interaction. The adiabatic approximation assumes slow motion but not small amplitudes and can therefore describe anharmonic effects. The RPA is a limiting case where both amplitudes and velocities are small. The variational approach provides a consistent way of extracting coordinated and momenta from the density matrix and of obtaining equations of motion when particular trial forms for this density matrix are chosen. One such choice leads to Thouless-Valatin formula. An other choice leads to irrotational hydrodynamics [fr

Methodology for calibration of ionization chambers for X-ray of low energy in absorbed dose to water

International Nuclear Information System (INIS)

Oliveira, C.T.; Vivolo, V.; Potiens, M.P.A.

2015-01-01

The beams of low energy X-ray (10 to 150 kV) are used in several places in the world to treat a wide variety of surface disorders, and between these malignancies. As in Brazil, at this moment, there is no calibration laboratory providing the control service or calibration of parallel plate ionization chambers, the aim of this project was to establish a methodology for calibration of this kind of ionization chambers at low energy X-ray beams in terms of absorbed dose to water using simulators in the LCI. (author)

Modeling non-adiabatic photoexcited reaction dynamics in condensed phases

International Nuclear Information System (INIS)

Coker, D.F.

2003-01-01

Reactions of photoexcited molecules, ions, and radicals in condensed phase environments involve non-adiabatic dynamics over coupled electronic surfaces. We focus on how local environmental symmetries can effect non-adiabatic coupling between excited electronic states and thus influence, in a possibly controllable way, the outcome of photo-excited reactions. Semi-classical and mixed quantum-classical non-adiabatic molecular dynamics methods, together with semi-empirical excited state potentials are used to probe the dynamical mixing of electronic states in different environments from molecular clusters, to simple liquids and solids, and photo-excited reactions in complex reaction environments such as zeolites

A study of energy resolution in a gridded ionization chamber filled with tetramethylsilane and tetramethylgermanium

International Nuclear Information System (INIS)

Hara, H.; Ohnuma, H.; Hoshi, Y.; Yuta, H.; Abe, K.; Suekane, F.; Neichi, M.; Nakajima, T.; Masuda, K.

1998-01-01

The energy resolutions of 976 keV conversion electrons from a 207 Bi source are measured in a gridded ionization chamber filled with tetramethylsilane (TMS) and tetramethylgermanium (TMG), and are found to be about 5.7 and 5.5% (rms) for TMS and TMG, respectively. We also deduce a simple method of estimating the electron lifetime using a gridded ionization chamber. The electron lifetime, free ion yield and thermalization length for these liquids are measured by this simple method

Adiabatic and isothermal resistivities

International Nuclear Information System (INIS)

Fishman, R.S.

1989-01-01

The force-balance method is used to calculate the isothermal resistivity to first order in the electric field. To lowest order in the impurity potential, the isothermal resistivity disagrees with the adiabatic results of the Kubo formula and the Boltzmann equation. However, an expansion of the isothermal resistivity in powers of the impurity potential is divergent, with two sets of divergent terms. The first set arises from the density matrix of the relative electron-phonon system. The second set arises from the explicit dependence of the density matrix on the electric field, which was ignored by force-balance calculations. These divergent contributions are calculated inductively, by applying a recursion relation for the Green's functions. Using the λ 2 t→∞ limit of van Hove, I show that the resummation of these divergent terms yields the same result for the resistivity as the adiabatic calculations, in direct analogy with the work of Argyres and Sigel, and Huberman and Chester

Teleportation of an Unknown Atomic State via Adiabatic Passage

Institute of Scientific and Technical Information of China (English)

无

2007-01-01

We propose a scheme for teleporting an unknown atomic state via adiabatic passage. Taking advantage of adiabatic passage, the atom has no probability of being excited and thus the atomic spontaneous emission is suppressed.We also show that the fidelity can reach 1 under certain condition.

Adiabatic density perturbations and matter generation from the minimal supersymmetric standard model.

Science.gov (United States)

Enqvist, Kari; Kasuya, Shinta; Mazumdar, Anupam

2003-03-07

We propose that the inflaton is coupled to ordinary matter only gravitationally and that it decays into a completely hidden sector. In this scenario both baryonic and dark matter originate from the decay of a flat direction of the minimal supersymmetric standard model, which is shown to generate the desired adiabatic perturbation spectrum via the curvaton mechanism. The requirement that the energy density along the flat direction dominates over the inflaton decay products fixes the flat direction almost uniquely. The present residual energy density in the hidden sector is typically shown to be small.

Selective-field-ionization dynamics of a lithium m=2 Rydberg state: Landau-Zener model versus quantal approach

International Nuclear Information System (INIS)

Foerre, M.; Hansen, J.P.

2003-01-01

The selective-field-ionization (SFI) dynamics of a Rydberg state of lithium with magnetic quantum number m=2 is studied in detail based on two different theoretical models: (1) a close coupling integration of the Schroedinger equation and (2) the multichannel (incoherent) Landau-Zener (MLZ) model. The m=2 states are particularly interesting, since they define a border zone between fully adiabatic (m=0,1) and fully diabatic (m>2) ionization dynamics. Both sets of calculations are performed up to, and above, the classical ionization limit. It is found that the MLZ model is excellent in the description of the fully diabatic dynamics while certain discrepancies between the time dependent quantal amplitudes appear when the dynamics become involved. Thus, in this region, the analysis of experimental SFI spectra should be performed with care

Energy dependence of an ionization chamber with parallel plates in standard gamma and x-radiation fields

International Nuclear Information System (INIS)

Batistella, M.A.; Caldas, L.V.E.

1988-09-01

The characteristics of low energy X-radiation standard fields were determined and the energy dependence of a ionization chamber of the superficial type, with parallel plates and fixed volume, normally utilized in the dosimetry at the Radiotherapy level was studied. The possibility of adaptation of this chamber type for use in gamma radiation dosimetry was verified. Different thickness Lucite build-up caps, from 2.0 up to 5.5 mm, were produced and tested in 60 Co and 137 Cs gamma radiation fields. This type of detector, with the adequate build-up cap, presented a performance comparable to that of the thimble type ionization chamber. It was concluded that it is not necessary to use different kinds of chambers for each high and mean energy interval. The superficial chamber, specially produced to detect low energy X-radiation, may be adapted to detect gamma radiation. (author) [pt

Nonadiabatic exchange dynamics during adiabatic frequency sweeps.

Science.gov (United States)

Barbara, Thomas M

2016-04-01

A Bloch equation analysis that includes relaxation and exchange effects during an adiabatic frequency swept pulse is presented. For a large class of sweeps, relaxation can be incorporated using simple first order perturbation theory. For anisochronous exchange, new expressions are derived for exchange augmented rotating frame relaxation. For isochronous exchange between sites with distinct relaxation rate constants outside the extreme narrowing limit, simple criteria for adiabatic exchange are derived and demonstrate that frequency sweeps commonly in use may not be adiabatic with regard to exchange unless the exchange rates are much larger than the relaxation rates. Otherwise, accurate assessment of the sensitivity to exchange dynamics will require numerical integration of the rate equations. Examples of this situation are given for experimentally relevant parameters believed to hold for in-vivo tissue. These results are of significance in the study of exchange induced contrast in magnetic resonance imaging. Copyright © 2016 Elsevier Inc. All rights reserved.

Sensitivity of inertial confinement fusion hot spot properties to the deuterium-tritium fuel adiabat

Energy Technology Data Exchange (ETDEWEB)

Melvin, J.; Lim, H.; Rana, V.; Glimm, J. [Department of Applied Mathematics and Statistics, Stony Brook University, Stony Brook, New York 11794-3600 (United States); Cheng, B.; Sharp, D. H.; Wilson, D. C. [Los Alamos National Laboratory, Los Alamos, New Mexico 87545 (United States)

2015-02-15

We determine the dependence of key Inertial Confinement Fusion (ICF) hot spot simulation properties on the deuterium-tritium fuel adiabat, here modified by addition of energy to the cold shell. Variation of this parameter reduces the simulation to experiment discrepancy in some, but not all, experimentally inferred quantities. Using simulations with radiation drives tuned to match experimental shots N120321 and N120405 from the National Ignition Campaign (NIC), we carry out sets of simulations with varying amounts of added entropy and examine the sensitivities of important experimental quantities. Neutron yields, burn widths, hot spot densities, and pressures follow a trend approaching their experimentally inferred quantities. Ion temperatures and areal densities are sensitive to the adiabat changes, but do not necessarily converge to their experimental quantities with the added entropy. This suggests that a modification to the simulation adiabat is one of, but not the only explanation of the observed simulation to experiment discrepancies. In addition, we use a theoretical model to predict 3D mix and observe a slight trend toward less mixing as the entropy is enhanced. Instantaneous quantities are assessed at the time of maximum neutron production, determined dynamically within each simulation. These trends contribute to ICF science, as an effort to understand the NIC simulation to experiment discrepancy, and in their relation to the high foot experiments, which features a higher adiabat in the experimental design and an improved neutron yield in the experimental results.

Sensitivity of inertial confinement fusion hot spot properties to the deuterium-tritium fuel adiabat

International Nuclear Information System (INIS)

Melvin, J.; Lim, H.; Rana, V.; Glimm, J.; Cheng, B.; Sharp, D. H.; Wilson, D. C.

2015-01-01

We determine the dependence of key Inertial Confinement Fusion (ICF) hot spot simulation properties on the deuterium-tritium fuel adiabat, here modified by addition of energy to the cold shell. Variation of this parameter reduces the simulation to experiment discrepancy in some, but not all, experimentally inferred quantities. Using simulations with radiation drives tuned to match experimental shots N120321 and N120405 from the National Ignition Campaign (NIC), we carry out sets of simulations with varying amounts of added entropy and examine the sensitivities of important experimental quantities. Neutron yields, burn widths, hot spot densities, and pressures follow a trend approaching their experimentally inferred quantities. Ion temperatures and areal densities are sensitive to the adiabat changes, but do not necessarily converge to their experimental quantities with the added entropy. This suggests that a modification to the simulation adiabat is one of, but not the only explanation of the observed simulation to experiment discrepancies. In addition, we use a theoretical model to predict 3D mix and observe a slight trend toward less mixing as the entropy is enhanced. Instantaneous quantities are assessed at the time of maximum neutron production, determined dynamically within each simulation. These trends contribute to ICF science, as an effort to understand the NIC simulation to experiment discrepancy, and in their relation to the high foot experiments, which features a higher adiabat in the experimental design and an improved neutron yield in the experimental results

Sensitivity of inertial confinement fusion hot spot properties to the deuterium-tritium fuel adiabat

Science.gov (United States)

Melvin, J.; Lim, H.; Rana, V.; Cheng, B.; Glimm, J.; Sharp, D. H.; Wilson, D. C.

2015-02-01

We determine the dependence of key Inertial Confinement Fusion (ICF) hot spot simulation properties on the deuterium-tritium fuel adiabat, here modified by addition of energy to the cold shell. Variation of this parameter reduces the simulation to experiment discrepancy in some, but not all, experimentally inferred quantities. Using simulations with radiation drives tuned to match experimental shots N120321 and N120405 from the National Ignition Campaign (NIC), we carry out sets of simulations with varying amounts of added entropy and examine the sensitivities of important experimental quantities. Neutron yields, burn widths, hot spot densities, and pressures follow a trend approaching their experimentally inferred quantities. Ion temperatures and areal densities are sensitive to the adiabat changes, but do not necessarily converge to their experimental quantities with the added entropy. This suggests that a modification to the simulation adiabat is one of, but not the only explanation of the observed simulation to experiment discrepancies. In addition, we use a theoretical model to predict 3D mix and observe a slight trend toward less mixing as the entropy is enhanced. Instantaneous quantities are assessed at the time of maximum neutron production, determined dynamically within each simulation. These trends contribute to ICF science, as an effort to understand the NIC simulation to experiment discrepancy, and in their relation to the high foot experiments, which features a higher adiabat in the experimental design and an improved neutron yield in the experimental results.

The effect of low-energy electrons on the response of ion chambers to ionizing photon beams

Science.gov (United States)

La Russa, Daniel J.

Cavity ionization chambers are one of the most popular and widely used devices for quantifying ionizing photon beams. This popularity originates from the precision of these devices and the relative ease with which ionization measurements are converted to quantities of interest in therapeutic radiology or radiation protection, collectively referred to as radiation dosimetry. The formalisms used for these conversions, known as cavity theory, make several assumptions about the electron spectrum in the low-energy range resulting from the incident photon beam. These electrons often account for a significant fraction of the ion chamber response. An inadequate treatment of low-energy electrons can therefore significantly effect calculated quantities of interest. This thesis sets out to investigate the effect of low-energy electrons on (1) the use of Spencer-Attix cavity theory with 60Co beams; and (2) the standard temperature-pressure correction factor, P TP, used to relate the measured ionization to a set of reference temperature and pressure conditions for vented ion chambers. Problems with the PTP correction are shown to arise when used with kilovoltage x rays, where ionization measurements are due primarily to electrons that do not have enough energy to cross the cavity. A combination of measurements and Monte Carlo calculations using the EGSnrc Monte Carlo code demonstrate the breakdown of PTP in these situations when used with non-air-equivalent chambers. The extent of the breakdown is shown to depend on cavity size, energy of the incident photons, and the composition of the chamber. In the worst case, the standard P TP factor overcorrects the response of an aluminum chamber by ≈12% at an air density typical of Mexico City. The response of a more common graphite-walled chamber with similar dimensions at the same air density is undercorrected by ≈ 2%. The EGSnrc Monte Carlo code is also used to investigate Spencer-Attix cavity theory as it is used in the

Adiabatic passage and ensemble control of quantum systems

International Nuclear Information System (INIS)

Leghtas, Z; Sarlette, A; Rouchon, P

2011-01-01

This paper considers population transfer between eigenstates of a finite quantum ladder controlled by a classical electric field. Using an appropriate change of variables, we show that this setting can be set in the framework of adiabatic passage, which is known to facilitate ensemble control of quantum systems. Building on this insight, we present a mathematical proof of robustness for a control protocol-chirped pulse-practised by experimentalists to drive an ensemble of quantum systems from the ground state to the most excited state. We then propose new adiabatic control protocols using a single chirped and amplitude-shaped pulse, to robustly perform any permutation of eigenstate populations, on an ensemble of systems with unknown coupling strengths. These adiabatic control protocols are illustrated by simulations on a four-level ladder.

Topological structures of adiabatic phase for multi-level quantum systems

International Nuclear Information System (INIS)

Liu Zhengxin; Zhou Xiaoting; Liu Xin; Liu Xiongjun; Chen Jingling

2007-01-01

The topological properties of adiabatic gauge fields for multi-level (three-level in particular) quantum systems are studied in detail. Similar to the result that the adiabatic gauge field for SU(2) systems (e.g. two-level quantum system or angular momentum systems, etc) has a monopole structure, the curvature 2-forms of the adiabatic holonomies for SU(3) three-level and SU(3) eight-level quantum systems are shown to have monopole-like (for all levels) or instanton-like (for the degenerate levels) structures

Nuclear and Non-Ionizing Energy-Loss for Coulomb Scattered Particles from Low Energy up to Relativistic Regime in Space Radiation Environment

CERN Document Server

Boschini, M.J.; Gervasi, M.; Giani, S.; Grandi, D.; Ivantchenko, V.; Pensotti, S.; Rancoita, P.G.; Tacconi, M.

2011-01-01

In the space environment, instruments onboard of spacecrafts can be affected by displacement damage due to radiation. The differential scattering cross section for screened nucleus--nucleus interactions - i.e., including the effects due to screened Coulomb nuclear fields -, nuclear stopping powers and non-ionization energy losses are treated from about 50\\,keV/nucleon up to relativistic energies.

Low-energy electron elastic scattering and impact ionization with hydrogenlike helium in Debye plasmas

Science.gov (United States)

Li, Jun; Zhang, Song Bin; Ye, Bang Jiao; Wang, Jian Guo; Janev, R. K.

2017-09-01

Low-energy electron elastic scattering and impact ionization with hydrogenlike helium in Debye plasmas have been investigated by employing the exterior complex scaling method. The interactions between charged particles in the plasmas have been represented by Debye-Hückel potentials. The 1 s -1 s elastic collision strengths below the n =2 excitation threshold of He+ dominated by resonance structures are calculated for different screening lengths. As the screening strength increases, the resonance peaks studied [2(1,0) 2 +1Se,3Po,1De , and 2(0,1) 2 +1Po] exhibit blueshifts and then redshifts with a further increase of the screening strength, which results in dramatic changes of the collision strengths. It is found that these dynamic variation features of the resonances are related to the changes of energy levels of He+ in the screened potential and geometric configurations of resonances. Triple-differential-ionization cross sections in coplanar geometries at 6-Ry incident electron energy are also reported, significant changes are observed with varying screening length.

Interplay between electric and magnetic effect in adiabatic polaritonic systems

KAUST Repository

Alabastri, Alessandro; Toma, Andrea; Liberale, Carlo; Chirumamilla, Manohar; Giugni, Andrea; De Angelis, Francesco De; Das, Gobind; Di Fabrizio, Enzo M.; Proietti Zaccaria, Remo

2013-01-01

We report on the possibility of realizing adiabatic compression of polaritonic wave on a metallic conical nano-structure through an oscillating electric potential (quasi dynamic regime). By comparing this result with an electromagnetic wave excitation, we were able to relate the classical lighting-rod effect to adiabatic compression. Furthermore, we show that while the magnetic contribution plays a marginal role in the formation of adiabatic compression, it provides a blue shift in the spectral region. In particular, magnetic permeability can be used as a free parameter for tuning the polaritonic resonances. The peculiar form of adiabatic compression is instead dictated by both the source and the metal permittivity. The analysis is performed by starting from a simple electrostatic system to end with the complete electromagnetic one through intermediate situations such as the quasi-electrostatic and quasi-dynamic regimes. Each configuration is defined by a particular set of equations which allows to clearly determine the individual role played by the electric and magnetic contribution in the generation of adiabatic compression. We notice that these findings can be applied for the realization of a THz nano-metric generator. © 2013 Optical Society of America.

Adiabatic condition and the quantum hitting time of Markov chains

International Nuclear Information System (INIS)

Krovi, Hari; Ozols, Maris; Roland, Jeremie

2010-01-01

We present an adiabatic quantum algorithm for the abstract problem of searching marked vertices in a graph, or spatial search. Given a random walk (or Markov chain) P on a graph with a set of unknown marked vertices, one can define a related absorbing walk P ' where outgoing transitions from marked vertices are replaced by self-loops. We build a Hamiltonian H(s) from the interpolated Markov chain P(s)=(1-s)P+sP ' and use it in an adiabatic quantum algorithm to drive an initial superposition over all vertices to a superposition over marked vertices. The adiabatic condition implies that, for any reversible Markov chain and any set of marked vertices, the running time of the adiabatic algorithm is given by the square root of the classical hitting time. This algorithm therefore demonstrates a novel connection between the adiabatic condition and the classical notion of hitting time of a random walk. It also significantly extends the scope of previous quantum algorithms for this problem, which could only obtain a full quadratic speedup for state-transitive reversible Markov chains with a unique marked vertex.

Adiabatic cooling processes in frustrated magnetic systems with pyrochlore structure

Science.gov (United States)

Jurčišinová, E.; Jurčišin, M.

2017-11-01

We investigate in detail the process of adiabatic cooling in the framework of the exactly solvable antiferromagnetic spin-1/2 Ising model in the presence of the external magnetic field on an approximate lattice with pyrochlore structure. The behavior of the entropy of the model is studied and exact values of the residual entropies of all ground states are found. The temperature variation of the system under adiabatic (de)magnetization is investigated and the central role of the macroscopically degenerated ground states in cooling processes is explicitly demonstrated. It is shown that the model parameter space of the studied geometrically frustrated system is divided into five disjunct regions with qualitatively different processes of the adiabatic cooling. The effectiveness of the adiabatic (de)magnetization cooling in the studied model is compared to the corresponding processes in paramagnetic salts. It is shown that the processes of the adiabatic cooling in the antiferromagnetic frustrated systems are much more effective especially in nonzero external magnetic fields. It means that the frustrated magnetic materials with pyrochlore structure can be considered as very promising refrigerants mainly in the situations with nonzero final values of the magnetic field.

Plasma-screening effects upon energy levels and electron scattering from neutral and ionized caesium

International Nuclear Information System (INIS)

Chin, Y.J.; Radtke, R.; Zimmermann, R.

1988-01-01

Using interaction potentials screened with the Debye-Hueckel length, the effects of plasma shielding on energy levels and electrons scattering from neutral and ionized caesium are estimated. Both energy levels and atomic scattering cross-sections are found to be sensitive to the inclusion of screening. Relating to the scattering by the Cs + ion, a low-energy resonance near E = 0.3 Ryd is found which arises from the f-wave phase shift and reflects the individual behaviour of the scattering ion. (author)

Plasma-screening effects upon energy levels and electron scattering from neutral and ionized caesium

Energy Technology Data Exchange (ETDEWEB)

Chin, Y J; Radtke, R; Zimmermann, R

1988-01-01

Using interaction potentials screened with the Debye-Hueckel length, the effects of plasma shielding on energy levels and electrons scattering from neutral and ionized caesium are estimated. Both energy levels and atomic scattering cross-sections are found to be sensitive to the inclusion of screening. Relating to the scattering by the Cs/sup +/ ion, a low-energy resonance near E = 0.3 Ryd is found which arises from the f-wave phase shift and reflects the individual behaviour of the scattering ion.

Collapse and equilibrium of rotating, adiabatic clouds

International Nuclear Information System (INIS)

Boss, A.P.

1980-01-01

A numerical hydrodynamics computer code has been used to follow the collapse and establishment of equilibrium of adiabatic gas clouds restricted to axial symmetry. The clouds are initially uniform in density and rotation, with adiabatic exponents γ=5/3 and 7/5. The numerical technique allows, for the first time, a direct comparison to be made between the dynamic collapse and approach to equilibrium of unconstrained clouds on the one hand, and the results for incompressible, uniformly rotating equilibrium clouds, and the equilibrium structures of differentially rotating polytropes, on the other hand

A comparison of chemical and ionization dosimetry for high-energy x-ray and electron beams

International Nuclear Information System (INIS)

Durocher, J.J.; Boese, H.; Cormack, D.V.; Holloway, A.F.

1981-01-01

A comparison was made of ferrous sulfate (Fricke) and ionometric methods for determining the absorbed dose in a phantom irradiated with 4-MV x-rays, 25-MV x-rays, or electron beams having various incident energies between 10 and 32 MeV. Both chemical and ionization instruments were calibrated in a 60 Co beam at a point in water where the absorbed dose had been previously determined. The chemical yield measurements were corrected for spatial variations in dose within the volume of the solution and used to obtain a value of the absorbed dose for each of the x-ray and electron beams. The ratios of G-values required for these determinations were taken from ICRU reports 14 and 21. Ionization instrument readings from three types of commercial ionization chambers were used to obtain alternate values of the absorbed dose for each radiation. C lambda and CE values used in determining these ionization values of dose were also taken from the above ICRU reports. For 4-MV x-rays the values of absorbed dose obtained from chemical measurements agreed to within 0.5% with values obtained from ionization measurements; for 25-MV x-rays the chemical values were about 1% higher than the ionization values; for the electron beams the chemical values were 1%-4% below the ionization values. These discrepancies suggest an inconsistency among the recommended G, C lambda, and CE values similar to that which has been noted by other workers

Laws governing the energy conversion of ionization curves

International Nuclear Information System (INIS)

Gorgoskii, V.I.

1986-01-01

The author attempts to determine if ionization curves are structured or smooth, the cause of the smoothing of the curves, the possibility of the curves having maxima and why, how many maxima are on the ionization curve, and which of these maxima is the fundamental maxima. The study shows that ionization curves without and additional maximum, i.e., with one fundamental maximum, can be obtained for potassium, rubidium, and cesium. This requires reduction of the density of the electrons in the stream and the density of the atoms of the target gas. It is also shown that in order to obtain ionization curves with additional maxima in the cases of neon, argon, and krypton, the measurements must be carried out at high densities of the electrons in the stream and of the atoms of the target gas

Design and demonstration of adiabatic quantum-flux-parametron logic circuits with superconductor magnetic shields

International Nuclear Information System (INIS)

Inoue, Kenta; Narama, Tatsuya; Yamanashi, Yuki; Yoshikawa, Nobuyuki; Takeuchi, Naoki

2015-01-01

Adiabatic quantum-flux-parametron (AQFP) logic is an energy-efficient superconductor logic with zero static power and very small dynamic power due to adiabatic switching operations. In order to build large-scale digital circuits, we built AQFP logic cells using superconductor magnetic shields, which are necessary in order to avoid unwanted magnetic couplings between the cells and excitation currents. In preliminary experimental tests, we confirmed that the unwanted coupling became negligibly small thanks to the superconductor shields. As a demonstration, we designed a four-to-one multiplexor and a 16-junction full adder using the shielded logic cells. In both circuits, we confirmed correct logic operations with wide operation margins of excitation currents. These results indicate that large-scale AQFP digital circuits can be realized using the shielded logic cells. (paper)

Gas ionization by focused laser beams

International Nuclear Information System (INIS)

Brito, A.L. de.

1984-01-01

It is shown that the effect of line broadening by focusing may considerably contribute to the observed laser-induced ionization of gases when the ionization energy of the gas molecules is well above the mean photon energy of the laser radiation. (Author) [pt

Sources of ionizing radiation and their interactions with matter

International Nuclear Information System (INIS)

Anon.

1990-01-01

Particles or photons are said to be ionizing if they are capable of removing electrons from matter. For this to happen, the energy per photon or the kinetic energy per particle must be greater than the minimum binding energy of the electrons of the medium. Radiation is thus ionizing relative to the medium. The main constituents of organic matter are carbon, oxygen, nitrogen, and hydrogen. The values of the primary ionization potentials (minimum energy required to remove the least bound electron from an atom) of these elements are: C : 11.24 eV; H : 13.60 eV; O : 13.57 eV; and N : 14.20 eV. The minimum energy required to remove an electron from a biological medium may in fact be less than these values; the binding energy of electrons in a molecule may be of the order of 10 eV, or even lower. The most energetic UV photons, those of wavelength 0.1 μm, have an energy of 12.4 eV, which is enough to ionize biological media. Similarly, X- and γ-rays are ionizing. However, the near UV, visible, IR, micro and radio waves are non-ionizing. In general, particles possessing a kinetic energy larger than 10 eV are ionizing

Deep proton tunneling in the electronically adiabatic and non-adiabatic limits: Comparison of the quantum and classical treatment of donor-acceptor motion in a protein environment

Energy Technology Data Exchange (ETDEWEB)

Benabbas, Abdelkrim; Salna, Bridget; Sage, J. Timothy; Champion, Paul M., E-mail: champ@neu.edu [Department of Physics and Center for Interdisciplinary Research on Complex Systems,Northeastern University, Boston, Massachusetts 02115 (United States)

2015-03-21

Analytical models describing the temperature dependence of the deep tunneling rate, useful for proton, hydrogen, or hydride transfer in proteins, are developed and compared. Electronically adiabatic and non-adiabatic expressions are presented where the donor-acceptor (D-A) motion is treated either as a quantized vibration or as a classical “gating” distribution. We stress the importance of fitting experimental data on an absolute scale in the electronically adiabatic limit, which normally applies to these reactions, and find that vibrationally enhanced deep tunneling takes place on sub-ns timescales at room temperature for typical H-bonding distances. As noted previously, a small room temperature kinetic isotope effect (KIE) does not eliminate deep tunneling as a major transport channel. The quantum approach focuses on the vibrational sub-space composed of the D-A and hydrogen atom motions, where hydrogen bonding and protein restoring forces quantize the D-A vibration. A Duschinsky rotation is mandated between the normal modes of the reactant and product states and the rotation angle depends on the tunneling particle mass. This tunnel-mass dependent rotation contributes substantially to the KIE and its temperature dependence. The effect of the Duschinsky rotation is solved exactly to find the rate in the electronically non-adiabatic limit and compared to the Born-Oppenheimer (B-O) approximation approach. The B-O approximation is employed to find the rate in the electronically adiabatic limit, where we explore both harmonic and quartic double-well potentials for the hydrogen atom bound states. Both the electronically adiabatic and non-adiabatic rates are found to diverge at high temperature unless the proton coupling includes the often neglected quadratic term in the D-A displacement from equilibrium. A new expression is presented for the electronically adiabatic tunnel rate in the classical limit for D-A motion that should be useful to experimentalists working

Results from the TARC experiment: spallation neutron phenomenology in lead and neutron-driven nuclear transmutation by adiabatic resonance crossing.

CERN Document Server

Abánades, A; Andriamonje, Samuel A; Angelopoulos, Angelos; Apostolakis, Alcibiades J; Arnould, H; Belle, E; Bompas, C A; Brozzi, Delecurgo; Bueno, J; Buono, S; Carminati, F; Casagrande, Federico; Cennini, P; Collar, J I; Cerro, E; Del Moral, R; Díez, S; Dumps, Ludwig; Eleftheriadis, C; Embid, M; Fernández, R; Gálvez, J; García, J; Gelès, C; Giorni, A; González, E; González, O; Goulas, I; Heuer, R D; Hussonnois, M; Kadi, Y; Karaiskos, P; Kitis, G; Klapisch, Robert; Kokkas, P; Lacoste, V; Le Naour, C; Lèpez, C; Loiseaux, J M; Martínez-Val, J M; Méplan, O; Nifenecker, H; Oropesa, J; Papadopoulos, I M; Pavlopoulos, P; Pérez-Enciso, E; Pérez-Navarro, A; Perlado, M; Placci, A; Poza, M; Revol, Jean Pierre Charles; Rubbia, Carlo; Rubio, J A; Sakelliou, L; Saldaña, F; Savvidis, E; Schussler, F; Sirvent, C; Tamarit, J; Trubert, D; Tzima, A; Viano, J B; Vieira, S L; Vlachoudis, V; Zioutas, Konstantin; CERN. Geneva. SPS and LEP Division

2000-01-01

The results of the TARC experiment are summarized herewith, whose main purpose is to demonstrate the possibility of using Adiabatic Resonance Crossing (ARC) to destroy efficiently Long-Lived Fission Fragments (LLFFs) in accelerator-driven systems and to validate a new simulation developed in the framework of the Energy Amplifier programme. An experimental set-up was installed in a CERN PS proton beam line to study how neutrons, produced by spallation at relatively high energy (En * 1 MeV), slow down quasi adiabatically, with almost flat isolethargic energy distribution and reach the capture resonance energy of an element to be transmuted where they will have a high probability of being captured. Precision measurements of energy and space distributions of spallation neutrons (using 2.5 GeV/c and 3.5 GeV/c protons) slowing down in a 3.3 m x 3.3 m x 3 m lead volume and of neutron capture rates on LLFFs 99Tc, 129I, and several other elements were performed. An appropriate formalism and appropriate computational t...

The ratio of double to single ionization of helium: The relationship of photon and bare charged particle impact ionization

International Nuclear Information System (INIS)

Manson, S.T.

1994-01-01

In this paper the author derives expressions for the ratio of double to single ionization of helium from its ground state, by both single photons, and charged particle impact. He shows that in the limit of large reduced incident energy T of a charged particle, that the ratio of the double to single ionization cross sections at some energy transfer ΔE is equal to the ratio of photoionization cross sections for a photon of energy hν = ΔE, independent of T. He then goes on to find a relationship for this ionization ratio which is not restricted to some specific energy transfer, and shows that the double to single ionization cross section ratio approaches an asymtotic limit for large enough T

Adiabatic perturbation theory for atoms and molecules in the low-frequency regime.

Science.gov (United States)

Martiskainen, Hanna; Moiseyev, Nimrod

2017-12-14

There is an increasing interest in the photoinduced dynamics in the low frequency, ω, regime. The multiphoton absorptions by molecules in strong laser fields depend on the polarization of the laser and on the molecular structure. The unique properties of the interaction of atoms and molecules with lasers in the low-frequency regime imply new concepts and directions in strong-field light-matter interactions. Here we represent a perturbational approach for the calculations of the quasi-energy spectrum in the low-frequency regime, which avoids the construction of the Floquet operator with extremely large number of Floquet channels. The zero-order Hamiltonian in our perturbational approach is the adiabatic Hamiltonian where the atoms/molecules are exposed to a dc electric field rather than to ac-field. This is in the spirit of the first step in the Corkum three-step model. The second-order perturbation correction terms are obtained when iℏω∂∂τ serves as a perturbation and τ is a dimensionless variable. The second-order adiabatic perturbation scheme is found to be an excellent approach for calculating the ac-field Floquet solutions in our test case studies of a simple one-dimensional time-periodic model Hamiltonian. It is straightforward to implement the perturbation approach presented here for calculating atomic and molecular energy shifts (positions) due to the interaction with low-frequency ac-fields using high-level electronic structure methods. This is enabled since standard quantum chemistry packages allow the calculations of atomic and molecular energy shifts due to the interaction with dc-fields. In addition to the shift of the energy positions, the energy widths (inverse lifetimes) can be obtained at the same level of theory. These energy shifts are functions of the laser parameters (low frequency, intensity, and polarization).

Potential for the application of compact ionization chambers in AMS at energies below 1 MeV/amu

International Nuclear Information System (INIS)

Forstner, O.; Golser, R.; Kutschera, W.; Michlmayr, L.; Priller, A.; Steier, P.; Wallner, A.

2007-01-01

Full text: The increasing demand for measuring long-lived radionuclides with small AMS machines at energies below 1 MeV per nucleon raises the need for compact detectors which still have a decent energy resolution and allow for a clear identification of the incident particles. Based on a design by the AMS group at the ETH Zurich a compact gas ionization chamber was built and installed at the VERA 3 MV AMS facility. The main challenge in AMS is the detection of rare isotope species in the presence of strong isotopic and isobaric interferences. The task of the ionization chamber is the suppression of the unwanted isobar by separating the ions via their different stopping powers. Results of 3 6C l exposure dating measurements at VERA showed an achieved suppression of the unwanted stable isobar 36 S of 3 x 10 -4 . Due to its compact design, the detector easily fits into a DN100 cross-piece and can be inserted and retracted without breaking the vacuum. The anode is split into two active regions which allows the simultaneous measurement of Δ E and E res . An identification of the incident particles is therefore possible via their different energy loss in the two regions of the chamber. For the entrance window silicon nitride foils are used. These foils are remarkably homogeneous and can be obtained pinhole-free with thicknesses down to 50 nm. The development of such thin foils with their small energy loss allows the use of gas ionization chambers at energies below 1 MeV per nucleon. To minimize the electronic noise the preamplifiers are mounted directly next to the anodes inside the active detector volume. In this work the setup of the detector will be presented. The performance of the ionization chamber in comparison to other previously used techniques for measuring long-lived AMS-relevant radionuclides including 10 Be, 36 Cl and 41 Ca as well as the use of the detector in the search for the live supernova remnant 244 Pu at VERA will be shown. By the example of

Statistical mechanics of Roskilde liquids: configurational adiabats, specific heat contours, and density dependence of the scaling exponent.

Science.gov (United States)

Bailey, Nicholas P; Bøhling, Lasse; Veldhorst, Arno A; Schrøder, Thomas B; Dyre, Jeppe C

2013-11-14

We derive exact results for the rate of change of thermodynamic quantities, in particular, the configurational specific heat at constant volume, CV, along configurational adiabats (curves of constant excess entropy Sex). Such curves are designated isomorphs for so-called Roskilde liquids, in view of the invariance of various structural and dynamical quantities along them. The slope of the isomorphs in a double logarithmic representation of the density-temperature phase diagram, γ, can be interpreted as one third of an effective inverse power-law potential exponent. We show that in liquids where γ increases (decreases) with density, the contours of CV have smaller (larger) slope than configurational adiabats. We clarify also the connection between γ and the pair potential. A fluctuation formula for the slope of the CV-contours is derived. The theoretical results are supported with data from computer simulations of two systems, the Lennard-Jones fluid, and the Girifalco fluid. The sign of dγ∕dρ is thus a third key parameter in characterizing Roskilde liquids, after γ and the virial-potential energy correlation coefficient R. To go beyond isomorph theory we compare invariance of a dynamical quantity, the self-diffusion coefficient, along adiabats and CV-contours, finding it more invariant along adiabats.

Narrow-line laser cooling by adiabatic transfer

Science.gov (United States)

Norcia, Matthew A.; Cline, Julia R. K.; Bartolotta, John P.; Holland, Murray J.; Thompson, James K.

2018-02-01

We propose and demonstrate a novel laser cooling mechanism applicable to particles with narrow-linewidth optical transitions. By sweeping the frequency of counter-propagating laser beams in a sawtooth manner, we cause adiabatic transfer back and forth between the ground state and a long-lived optically excited state. The time-ordering of these adiabatic transfers is determined by Doppler shifts, which ensures that the associated photon recoils are in the opposite direction to the particle’s motion. This ultimately leads to a robust cooling mechanism capable of exerting large forces via a weak transition and with reduced reliance on spontaneous emission. We present a simple intuitive model for the resulting frictional force, and directly demonstrate its efficacy for increasing the total phase-space density of an atomic ensemble. We rely on both simulation and experimental studies using the 7.5 kHz linewidth 1S0 to 3P1 transition in 88Sr. The reduced reliance on spontaneous emission may allow this adiabatic sweep method to be a useful tool for cooling particles that lack closed cycling transitions, such as molecules.

Simulating a topological transition in a superconducting phase qubit by fast adiabatic trajectories

Science.gov (United States)

Wang, Tenghui; Zhang, Zhenxing; Xiang, Liang; Gong, Zhihao; Wu, Jianlan; Yin, Yi

2018-04-01

The significance of topological phases has been widely recognized in the community of condensed matter physics. The well controllable quantum systems provide an artificial platform to probe and engineer various topological phases. The adiabatic trajectory of a quantum state describes the change of the bulk Bloch eigenstates with the momentum, and this adiabatic simulation method is however practically limited due to quantum dissipation. Here we apply the "shortcut to adiabaticity" (STA) protocol to realize fast adiabatic evolutions in the system of a superconducting phase qubit. The resulting fast adiabatic trajectories illustrate the change of the bulk Bloch eigenstates in the Su-Schrieffer-Heeger (SSH) model. A sharp transition is experimentally determined for the topological invariant of a winding number. Our experiment helps identify the topological Chern number of a two-dimensional toy model, suggesting the applicability of the fast adiabatic simulation method for topological systems.

Adiabatic approximation with exponential accuracy for many-body systems and quantum computation

International Nuclear Information System (INIS)

Lidar, Daniel A.; Rezakhani, Ali T.; Hamma, Alioscia

2009-01-01

We derive a version of the adiabatic theorem that is especially suited for applications in adiabatic quantum computation, where it is reasonable to assume that the adiabatic interpolation between the initial and final Hamiltonians is controllable. Assuming that the Hamiltonian is analytic in a finite strip around the real-time axis, that some number of its time derivatives vanish at the initial and final times, and that the target adiabatic eigenstate is nondegenerate and separated by a gap from the rest of the spectrum, we show that one can obtain an error between the final adiabatic eigenstate and the actual time-evolved state which is exponentially small in the evolution time, where this time itself scales as the square of the norm of the time derivative of the Hamiltonian divided by the cube of the minimal gap.

Thermal explosion hazards on 18650 lithium ion batteries with a VSP2 adiabatic calorimeter

Energy Technology Data Exchange (ETDEWEB)

Jhu, Can-Yong [Doctoral Program, Graduate School of Engineering Science and Technology, National Yunlin University of Science and Technology (NYUST), 123, University Rd., Sec. 3, Douliou, Yunlin 64002, Taiwan, ROC (China); Wang, Yih-Wen, E-mail: g9410825@yuntech.edu.tw [Department of Occupational Safety and Health, Jen-Teh Junior College of Medicine, Nursing and Management, 79-9, Sha-Luen-Hu, Xi-Zhou-Li, Houlong, Miaoli 35664, Taiwan, ROC (China); Shu, Chi-Min [Doctoral Program, Graduate School of Engineering Science and Technology, National Yunlin University of Science and Technology (NYUST), 123, University Rd., Sec. 3, Douliou, Yunlin 64002, Taiwan, ROC (China); Chang, Jian-Chuang; Wu, Hung-Chun [Material and Chemical Research Laboratories, Industrial Technology Research Institute (ITRI), Rm. 222, Bldg. 77, 2F, 195, Sec. 4, Chung Hsing Rd., Chutung, Hsinchu 31040, Taiwan, ROC (China)

2011-08-15

Thermal abuse behaviors relating to adiabatic runaway reactions in commercial 18650 lithium ion batteries (LiCoO{sub 2}) are being studied in an adiabatic calorimeter, vent sizing package 2 (VSP2). We select four worldwide battery producers, Sony, Sanyo, Samsung and LG, and tested their Li-ion batteries, which have LiCoO{sub 2} cathodes, to determine their thermal instabilities and adiabatic runaway features. The charged (4.2 V) and uncharged (3.7 V) 18650 Li-ion batteries are tested using a VSP2 with a customized stainless steel test can to evaluate their thermal hazard characteristics, such as the initial exothermic temperature (T{sub 0}), the self-heating rate (dT/dt), the pressure rise rate (dP/dt), the pressure-temperature profiles and the maximum temperature (T{sub max}) and pressure (P{sub max}). The T{sub max} and P{sub max} of the charged Li-ion battery during the runaway reaction reach 903.0 {sup o}C and 1565.9 psig (pound-force per square inch gauge), respectively. This result leads to a thermal explosion, and the heat of reaction is 26.2 kJ. The thermokinetic parameters of the reaction of LiCoO{sub 2} batteries are also determined using the Arrhenius model. The thermal reaction mechanism of the Li-ion battery (pack) proved to be an important safety concern for energy storage. Additionally, use of the VSP2 to classify the self-reactive ratings of the various Li-ion batteries demonstrates a new application of the adiabatic calorimetric methodology.

Thermal explosion hazards on 18650 lithium ion batteries with a VSP2 adiabatic calorimeter

International Nuclear Information System (INIS)

Jhu, Can-Yong; Wang, Yih-Wen; Shu, Chi-Min; Chang, Jian-Chuang; Wu, Hung-Chun

2011-01-01

Thermal abuse behaviors relating to adiabatic runaway reactions in commercial 18650 lithium ion batteries (LiCoO 2 ) are being studied in an adiabatic calorimeter, vent sizing package 2 (VSP2). We select four worldwide battery producers, Sony, Sanyo, Samsung and LG, and tested their Li-ion batteries, which have LiCoO 2 cathodes, to determine their thermal instabilities and adiabatic runaway features. The charged (4.2 V) and uncharged (3.7 V) 18650 Li-ion batteries are tested using a VSP2 with a customized stainless steel test can to evaluate their thermal hazard characteristics, such as the initial exothermic temperature (T 0 ), the self-heating rate (dT/dt), the pressure rise rate (dP/dt), the pressure-temperature profiles and the maximum temperature (T max ) and pressure (P max ). The T max and P max of the charged Li-ion battery during the runaway reaction reach 903.0 o C and 1565.9 psig (pound-force per square inch gauge), respectively. This result leads to a thermal explosion, and the heat of reaction is 26.2 kJ. The thermokinetic parameters of the reaction of LiCoO 2 batteries are also determined using the Arrhenius model. The thermal reaction mechanism of the Li-ion battery (pack) proved to be an important safety concern for energy storage. Additionally, use of the VSP2 to classify the self-reactive ratings of the various Li-ion batteries demonstrates a new application of the adiabatic calorimetric methodology.

Health Effects of Non-Ionizing Radiation on Human

International Nuclear Information System (INIS)

Zubaidah-Alatas; Yanti Lusiyanti

2001-01-01

Increases of development and use of equipment that procedures non-ionizing radiant energy such as laser, radar, microwave ovens, power lines and hand phones, bring about public concern about the possible health effects owing to the non-ionizing radiation exposure. Non ionizing electromagnetic radiation compared to ionizing radiation, has longer wavelength, lower frequency, and lower photon energy in its interaction with body tissues. The term on non-ionizing radiation refers to the groups of electromagnetic radiations with energies less than about 10 eV corresponding to wavelengths in the ultraviolet, visible, infra red microwave and radiofrequency spectral regions. This paper describes the current state of knowledge about types of non-ionizing radiation and the health effects at molecular and cellular levels as well as its effects on human health. (author)

A consistent model for the equilibrium thermodynamic functions of partially ionized flibe plasma with Coulomb corrections

International Nuclear Information System (INIS)

Zaghloul, Mofreh R.

2003-01-01

Flibe (2LiF-BeF2) is a molten salt that has been chosen as the coolant and breeding material in many design studies of the inertial confinement fusion (ICF) chamber. Flibe plasmas are to be generated in the ICF chamber in a wide range of temperatures and densities. These plasmas are more complex than the plasma of any single chemical species. Nevertheless, the composition and thermodynamic properties of the resulting flibe plasmas are needed for the gas dynamics calculations and the determination of other design parameters in the ICF chamber. In this paper, a simple consistent model for determining the detailed plasma composition and thermodynamic functions of high-temperature, fully dissociated and partially ionized flibe gas is presented and used to calculate different thermodynamic properties of interest to fusion applications. The computed properties include the average ionization state; kinetic pressure; internal energy; specific heats; adiabatic exponent, as well as the sound speed. The presented results are computed under the assumptions of local thermodynamic equilibrium (LTE) and electro-neutrality. A criterion for the validity of the LTE assumption is presented and applied to the computed results. Other attempts in the literature are assessed with their implied inaccuracies pointed out and discussed

The TARC experiment (PS211): neutron-driven nuclear transmutation by adiabatic resonance crossing

International Nuclear Information System (INIS)

Revol, J.P.; Arnould, H.; Bompas, C.A.

1999-01-01

The main purpose of the TARC experiment is to demonstrate the possibility of using Adiabatic Resonance Crossing (ARC) to destroy efficiently Long-Lived Fission Fragments (LLFFs) in accelerator-driven systems and to validate a new simulation developed in the framework of the Energy Amplifier programme. An experimental set-up was installed in a CERN PS beam line to study how neutrons produced by spallation at relatively high energy (E n ≥1 MeV) slow down quasi adiabatically with almost flat isolethargic energy distribution and reach the capture resonance energy of an element to be transmuted where they will have a high probability of being captured. Precision measurements of energy and space distributions of spallation neutrons (using 2.5 GeV/c and 3.5 GeV/c protons) slowing down in a 3.3 m x 3.3 m x 3 m lead volume and of neutron capture rates of LLFFs 99 Tc, 129 I, and several other elements were performed. An appropriate formalism and appropriate computational tools necessary for the analysis and understanding of the data were developed and validated in detail. Our direct experimental observation of ARC demonstrates the possibility to destroy, in a parasitic mode, outside the Energy Amplifier core, large amounts of 99 Tc or 129 I at a rate exceeding the production rate, thereby making it practical to reduce correspondingly the existing stockpile of LLFFs. In addition, TARC opens up new possibilities for radioactive isotope production as an alternative to nuclear reactors, in particular for medical applications, as well as new possibilities for neutron research and industrial applications. (orig.)

Non-adiabatic generator-coordinate calculation of H2+

International Nuclear Information System (INIS)

Tostes, J.G.R.; Para Univ., Belem; Toledo Piza, A.F.R. de

1982-10-01

A non-adiabatic calculation of the few lowest J=O states in the H 2+ molecule done within the framework of the Generator Coordinate Method is reported. Substantial accuracy is achivied with the diagonalization of matrices of very modest dimensions. The resulting wavefunctions are strongly dominated by just a few basis states. The computational scheme is set up so as to take the best advantage of good analytical approximations to existing adiabatic molecular wavefunctions. (Author) [pt

Adiabatic supernova expansion into the circumstellar medium

International Nuclear Information System (INIS)

Band, D.L.; Liang, E.P.

1987-01-01

We perform one dimensional numerical simulations with a Lagrangian hydrodynamics code of the adiabatic expansion of a supernova into the surrounding medium. The early expansion follows Chevalier's analytic self-similar solution until the reverse shock reaches the ejecta core. We follow the expansion as it evolves towards the adiabatic blast wave phase. Some memory of the earlier phases of expansion is retained in the interior even when the outer regions expand as a blast wave. We find the results are sensitive to the initial configuration of the ejecta and to the placement of gridpoints. 6 refs., 2 figs

Excited state non-adiabatic dynamics of the smallest polyene, trans 1,3-butadiene. I. Time-resolved photoelectron-photoion coincidence spectroscopy

Science.gov (United States)

Boguslavskiy, Andrey E.; Schalk, Oliver; Gador, Niklas; Glover, William J.; Mori, Toshifumi; Schultz, Thomas; Schuurman, Michael S.; Martínez, Todd J.; Stolow, Albert

2018-04-01

The ultrafast excited state dynamics of the smallest polyene, trans-1,3-butadiene, were studied by femtosecond time-resolved photoelectron-photoion coincidence (TRPEPICO) spectroscopy. The evolution of the excited state wavepacket, created by pumping the bright 1Bu (ππ*) electronic state at its origin of 216 nm, is projected via one- and two-photon ionization at 267 nm onto several ionization continua. The results are interpreted in terms of Koopmans' correlations and Franck-Condon factors for the excited and cationic states involved. The known predissociative character of the cation excited states is utilized to assign photoelectron bands to specific continua using TRPEPICO spectroscopy. This permits us to report the direct observation of the famously elusive S1(21Ag) dark electronic state during the internal conversion of trans 1,3-butadiene. Our phenomenological analysis permits the spectroscopic determination of several important time constants. We report the overall decay lifetimes of the 11Bu and 21Ag states and observe the re-appearance of the hot ground state molecule. We argue that the apparent dephasing time of the S2(11Bu) state, which leads to the extreme breadth of the absorption spectrum, is principally due to large amplitude torsional motion on the 1Bu surface in conjunction with strong non-adiabatic couplings via conical intersections, whereupon nuclear wavepacket revivals to the initial Franck-Condon region become effectively impossible. In Paper II [W. J. Glover et al., J. Chem. Phys. 148, 164303 (2018)], ab initio multiple spawning is used for on-the-fly computations of the excited state non-adiabatic wavepacket dynamics and their associated TRPEPICO observables, allowing for direct comparisons of experiment with theory.

Diffusion Monte Carlo approach versus adiabatic computation for local Hamiltonians

Science.gov (United States)

Bringewatt, Jacob; Dorland, William; Jordan, Stephen P.; Mink, Alan

2018-02-01

Most research regarding quantum adiabatic optimization has focused on stoquastic Hamiltonians, whose ground states can be expressed with only real non-negative amplitudes and thus for whom destructive interference is not manifest. This raises the question of whether classical Monte Carlo algorithms can efficiently simulate quantum adiabatic optimization with stoquastic Hamiltonians. Recent results have given counterexamples in which path-integral and diffusion Monte Carlo fail to do so. However, most adiabatic optimization algorithms, such as for solving MAX-k -SAT problems, use k -local Hamiltonians, whereas our previous counterexample for diffusion Monte Carlo involved n -body interactions. Here we present a 6-local counterexample which demonstrates that even for these local Hamiltonians there are cases where diffusion Monte Carlo cannot efficiently simulate quantum adiabatic optimization. Furthermore, we perform empirical testing of diffusion Monte Carlo on a standard well-studied class of permutation-symmetric tunneling problems and similarly find large advantages for quantum optimization over diffusion Monte Carlo.

Intermittent strong transport of the quasi-adiabatic plasma state.

Science.gov (United States)

Kim, Chang-Bae; An, Chan-Yong; Min, Byunghoon

2018-06-05

The dynamics of the fluctuating electrostatic potential and the plasma density couched in the resistive-drift model at nearly adiabatic state are simulated. The linear modes are unstable if the phase difference between the potential and the density are positive. Exponential growth of the random small perturbations slows down due to the nonlinear E × B flows that work in two ways. They regulate the strength of the fluctuations by transferring the energy from the energy-producing scale to neighboring scales and reduce the cross phase at the same time. During quasi-steady relaxation sporadic appearance of very strong turbulent particle flux is observed that is characterized by the flat energy spectrum and the broad secondary peak in the mesoscale of the order of the gyro-radius. Such boost of the transport is found to be caused by presence of relatively large cross phase as the E × B flows are not effective in cancelling out the cross phase.

Dynamic and Thermodynamic Properties of a CA Engine with Non-Instantaneous Adiabats

Directory of Open Access Journals (Sweden)

Ricardo T. Paéz-Hernández

2017-11-01

Full Text Available This paper presents an analysis of a Curzon and Alhborn thermal engine model where both internal irreversibilities and non-instantaneous adiabatic branches are considered, operating with maximum ecological function and maximum power output regimes. Its thermodynamic properties are shown, and an analysis of its local dynamic stability is performed. The results derived are compared throughout the work with the results obtained previously for a case in which the adiabatic branches were assumed as instantaneous. The results indicate a better performance for thermodynamic properties in the model with instantaneous adiabatic branches, whereas there is an improvement in robustness in the case where non-instantaneous adiabatic branches are considered.

Ramsey numbers and adiabatic quantum computing.

Science.gov (United States)

Gaitan, Frank; Clark, Lane

2012-01-06

The graph-theoretic Ramsey numbers are notoriously difficult to calculate. In fact, for the two-color Ramsey numbers R(m,n) with m, n≥3, only nine are currently known. We present a quantum algorithm for the computation of the Ramsey numbers R(m,n). We show how the computation of R(m,n) can be mapped to a combinatorial optimization problem whose solution can be found using adiabatic quantum evolution. We numerically simulate this adiabatic quantum algorithm and show that it correctly determines the Ramsey numbers R(3,3) and R(2,s) for 5≤s≤7. We then discuss the algorithm's experimental implementation, and close by showing that Ramsey number computation belongs to the quantum complexity class quantum Merlin Arthur.

Ionization of atoms by bare ion projectiles

International Nuclear Information System (INIS)

Tribedi, L.C.

1997-01-01

The double differential cross sections (DDCS) for low energy electron emission can provide stringent tests to the theoretical models for ionization in ion-atom collision. The two-center effects and the post collision interactions play a major role in ionization by highly charged, high Z projectiles. We close-quote ll review the recent developments in this field and describe our efforts to study the energy and angular distributions of the low energy electrons emitted in ion-atom ionization. copyright 1997 American Institute of Physics

Probing Entanglement in Adiabatic Quantum Optimization with Trapped Ions

Directory of Open Access Journals (Sweden)

Philipp eHauke

2015-04-01

Full Text Available Adiabatic quantum optimization has been proposed as a route to solve NP-complete problems, with a possible quantum speedup compared to classical algorithms. However, the precise role of quantum effects, such as entanglement, in these optimization protocols is still unclear. We propose a setup of cold trapped ions that allows one to quantitatively characterize, in a controlled experiment, the interplay of entanglement, decoherence, and non-adiabaticity in adiabatic quantum optimization. We show that, in this way, a broad class of NP-complete problems becomes accessible for quantum simulations, including the knapsack problem, number partitioning, and instances of the max-cut problem. Moreover, a general theoretical study reveals correlations of the success probability with entanglement at the end of the protocol. From exact numerical simulations for small systems and linear ramps, however, we find no substantial correlations with the entanglement during the optimization. For the final state, we derive analytically a universal upper bound for the success probability as a function of entanglement, which can be measured in experiment. The proposed trapped-ion setups and the presented study of entanglement address pertinent questions of adiabatic quantum optimization, which may be of general interest across experimental platforms.

Doubly differential cross sections of low-energy electrons emitted in the ionization of molecular hydrogen by bare carbon ions

International Nuclear Information System (INIS)

Tribedi, L.C.; Richard, P.; Ling, D.; Wang, Y.D.; Lin, C.D.; Moshammer, R.; Kerby, G.W. III; Gealy, M.W.; Rudd, M.E.

1996-01-01

We have measured the double differential cross sections (DDCS) (d 2 σ/d var-epsilon ed Ω e ) of low-energy electron emission in the ionization of H 2 bombarded by bare carbon ions of energy 30 MeV. The energy and angular distributions of the electron DDCS have been obtained for 12 different emission angles and for electron energies varying between 0.1 and 300 eV. We have also deduced the single differential and total ionization cross section from the measured DDCS. The data have been compared with the predictions of first Born approximations and the CDW-EIS (continuum distorted wave endash eikonal initial state) model. The CDW-EIS model provides an excellent agreement with the data. copyright 1996 The American Physical Society

Average energy expended per ion pair, exciton enhanced ionization (Jesse effect), electron drift velocity, average electron energy and scintillation in rare gas liquids

International Nuclear Information System (INIS)

Doke, T.; Hitachi, A.; Hoshi, Y.; Masuda, K.; Hamada, T.

1977-01-01

Precise measurements of W-values, the average energy expended per electron-hole pair in liquid Ar and Xe, were made by the electron-pulse method, and that in liquid Kr by the steady conduction current method. The results showed that the W-values were clearly smaller than those in gaseous Ar, Xe and Kr as predicted by Doke. The results can be explained by the conduction bands which exist in these rare gas liquids as well as in the solid state. The enhanced ionization yield was observed for Xe-doped liquid Ar, and it was attributed to the ionizing excitation transfer process from Ar excitons to doped Xe. This is very similar to the Jesse effect in the gas phase. The saturated value of the enhanced ionization was in good agreement with the theoretical value, and it provides strong evidence for the existence of the exciton states in liquid Ar. Fano factors in liquid Ar, Kr, Xe and Xe-doped liquid Ar have been estimated from the Fano Formula, and they were smaller than those in the gas phase. The drift velocity of electrons in liquid Ar, liquid Ar-gas mixtures and liquid Xe have been measured with gridded ionization chambers. The average electron energy in liquid Ar has been measured. The electron-induced scintillations of liquid Xe and Ar have been studied. (Kato, T.)

Semiclassical Monte Carlo: A first principles approach to non-adiabatic molecular dynamics

International Nuclear Information System (INIS)

White, Alexander J.; Gorshkov, Vyacheslav N.; Wang, Ruixi; Tretiak, Sergei; Mozyrsky, Dmitry

2014-01-01

Modeling the dynamics of photophysical and (photo)chemical reactions in extended molecular systems is a new frontier for quantum chemistry. Many dynamical phenomena, such as intersystem crossing, non-radiative relaxation, and charge and energy transfer, require a non-adiabatic description which incorporate transitions between electronic states. Additionally, these dynamics are often highly sensitive to quantum coherences and interference effects. Several methods exist to simulate non-adiabatic dynamics; however, they are typically either too expensive to be applied to large molecular systems (10's-100's of atoms), or they are based on ad hoc schemes which may include severe approximations due to inconsistencies in classical and quantum mechanics. We present, in detail, an algorithm based on Monte Carlo sampling of the semiclassical time-dependent wavefunction that involves running simple surface hopping dynamics, followed by a post-processing step which adds little cost. The method requires only a few quantities from quantum chemistry calculations, can systematically be improved, and provides excellent agreement with exact quantum mechanical results. Here we show excellent agreement with exact solutions for scattering results of standard test problems. Additionally, we find that convergence of the wavefunction is controlled by complex valued phase factors, the size of the non-adiabatic coupling region, and the choice of sampling function. These results help in determining the range of applicability of the method, and provide a starting point for further improvement

A note on the geometric phase in adiabatic approximation

International Nuclear Information System (INIS)

Tong, D.M.; Singh, K.; Kwek, L.C.; Fan, X.J.; Oh, C.H.

2005-01-01

The adiabatic theorem shows that the instantaneous eigenstate is a good approximation of the exact solution for a quantum system in adiabatic evolution. One may therefore expect that the geometric phase calculated by using the eigenstate should be also a good approximation of exact geometric phase. However, we find that the former phase may differ appreciably from the latter if the evolution time is large enough

Constraining Born-Infeld-like nonlinear electrodynamics using hydrogen's ionization energy

Energy Technology Data Exchange (ETDEWEB)

Akmansoy, P.N. [Universidade Federal do Rio Grande do Norte, Departamento de Fisica Teorica e Experimental, Natal (Brazil); Medeiros, L.G. [Universidade Estadual Paulista, Instituto de Fisica Teorica, Sao Paulo, SP (Brazil); Universidade Federal do Rio Grande do Norte, Escola de Ciencia e Tecnologia, Natal, RN (Brazil)

2018-02-15

In this work, the hydrogen's ionization energy was used to constrain the free parameter b of three Born-Infeld-like electrodynamics namely Born-Infeld itself, Logarithmic electrodynamics and Exponential electrodynamics. An analytical methodology capable of calculating the hydrogen ground state energy level correction for a generic nonlinear electrodynamics was developed. Using the experimental uncertainty in the ground state energy of the hydrogen atom, the bound b > 5.37 x 10{sup 20}K(V)/(m), where K = 2, 4√(2)/3 and √(π) for the Born-Infeld, Logarithmic and Exponential electrodynamics respectively, was established. In the particular case of Born-Infeld electrodynamics, the constraint found for b was compared with other constraints present in the literature. (orig.)

Quantum tunneling in the adiabatic Dicke model

International Nuclear Information System (INIS)

Chen Gang; Chen Zidong; Liang Jiuqing

2007-01-01

The Dicke model describes N two-level atoms interacting with a single-mode bosonic field and exhibits a second-order phase transition from the normal to the superradiant phase. The energy levels are not degenerate in the normal phase but have degeneracy in the superradiant phase, where quantum tunneling occurs. By means of the Born-Oppenheimer approximation and the instanton method in quantum field theory, the tunneling splitting, inversely proportional to the tunneling rate for the adiabatic Dicke model, in the superradiant phase can be evaluated explicitly. It is shown that the tunneling splitting vanishes as exp(-N) for large N, whereas for small N it disappears as √(N)/exp(N). The dependence of the tunneling splitting on the relevant parameters, especially on the atom-field coupling strength, is also discussed

Quantum Adiabatic Optimization and Combinatorial Landscapes

Science.gov (United States)

Smelyanskiy, V. N.; Knysh, S.; Morris, R. D.

2003-01-01

In this paper we analyze the performance of the Quantum Adiabatic Evolution (QAE) algorithm on a variant of Satisfiability problem for an ensemble of random graphs parametrized by the ratio of clauses to variables, gamma = M / N. We introduce a set of macroscopic parameters (landscapes) and put forward an ansatz of universality for random bit flips. We then formulate the problem of finding the smallest eigenvalue and the excitation gap as a statistical mechanics problem. We use the so-called annealing approximation with a refinement that a finite set of macroscopic variables (verses only energy) is used, and are able to show the existence of a dynamic threshold gamma = gammad, beyond which QAE should take an exponentially long time to find a solution. We compare the results for extended and simplified sets of landscapes and provide numerical evidence in support of our universality ansatz.

Energy and Exergy Analysis of Ocean Compressed Air Energy Storage Concepts

Directory of Open Access Journals (Sweden)

Vikram C. Patil

2018-01-01

Full Text Available Optimal utilization of renewable energy resources needs energy storage capability in integration with the electric grid. Ocean compressed air energy storage (OCAES can provide promising large-scale energy storage. In OCAES, energy is stored in the form of compressed air under the ocean. Underwater energy storage results in a constant-pressure storage system which has potential to show high efficiency compared to constant-volume energy storage. Various OCAES concepts, namely, diabatic, adiabatic, and isothermal OCAES, are possible based on the handling of heat in the system. These OCAES concepts are assessed using energy and exergy analysis in this paper. Roundtrip efficiency of liquid piston based OCAES is also investigated using an experimental liquid piston compressor. Further, the potential of improved efficiency of liquid piston based OCAES with use of various heat transfer enhancement techniques is investigated. Results show that adiabatic OCAES shows improved efficiency over diabatic OCAES by storing thermal exergy in thermal energy storage and isothermal OCAES shows significantly higher efficiency over adiabatic and diabatic OCAES. Liquid piston based OCAES is estimated to show roundtrip efficiency of about 45% and use of heat transfer enhancement in liquid piston has potential to improve roundtrip efficiency of liquid piston based OCAES up to 62%.

Fully differential cross sections for low to intermediate energy perpendicular plane ionization of xenon atoms

Energy Technology Data Exchange (ETDEWEB)

Purohit, G., E-mail: ghanshyam.purohit@spsu.ac.in; Singh, P.; Patidar, V.

2014-12-15

Highlights: • We present triply differential cross section (TDCS) results for the perpendicular plane ionization of xenon atoms. • The TDCS has been calculated in the modified distorted wave Born approximation formalism. • The effects of target polarization and post collision interaction have also been included. • The polarization potential, higher order effects and PCI has been found to be useful in the description of TDCS. - Abstract: Triple differential cross section (TDCS) results are reported for the perpendicular plane ionization of Xe (5p) at incident electron energies 5 eV, 10 eV, 20 eV, and 40 eV above ionization potential. The modified distorted wave Born approximation formalism with first as well as the second order Born terms has been used to calculate the TDCS. Effects of target polarization and post collision interaction have also been included. We compare the (e, 2e) TDCS results of our calculation with the recent available experimental data and theoretical results and discuss the process contributing to structure seen in the differential cross section. It has been observed from the present study that the second order effect and target polarization make significant contribution in description of collision dynamics of xenon at the low and intermediate energy for the perpendicular emission of electrons.

Fully differential cross sections for low to intermediate energy perpendicular plane ionization of xenon atoms

International Nuclear Information System (INIS)

Purohit, G.; Singh, P.; Patidar, V.

2014-01-01

Highlights: • We present triply differential cross section (TDCS) results for the perpendicular plane ionization of xenon atoms. • The TDCS has been calculated in the modified distorted wave Born approximation formalism. • The effects of target polarization and post collision interaction have also been included. • The polarization potential, higher order effects and PCI has been found to be useful in the description of TDCS. - Abstract: Triple differential cross section (TDCS) results are reported for the perpendicular plane ionization of Xe (5p) at incident electron energies 5 eV, 10 eV, 20 eV, and 40 eV above ionization potential. The modified distorted wave Born approximation formalism with first as well as the second order Born terms has been used to calculate the TDCS. Effects of target polarization and post collision interaction have also been included. We compare the (e, 2e) TDCS results of our calculation with the recent available experimental data and theoretical results and discuss the process contributing to structure seen in the differential cross section. It has been observed from the present study that the second order effect and target polarization make significant contribution in description of collision dynamics of xenon at the low and intermediate energy for the perpendicular emission of electrons

Spectrum and energy levels of four-times-ionized niobium

International Nuclear Information System (INIS)

Kagan, D.T.; Conway, J.G.; Meinders, E.

1981-01-01

The 4p 6 nl spectrum of Nb 4+ was measured and analyzed. The spectrum was excited in a vacuum sliding spark source with a peak current of 800 A and a pulse width of 70 μsec. The analysis of the spectrum has extended the 12 known lines to 84 and the 10 known levels to 30. The ionization energy was calculated to be 407897 +- 40 cm -1 . There is strong evidence that the 4p 5 4d 2 configurations interacts strongly with the 4p 6 nf configuration. In addition, the hyperfine splitting of the 4p 6 6s level has been observed and measured to be 1.1 cm -1

Triple differential cross section for the near threshold single ionization of helium atoms for equal energy sharing

Energy Technology Data Exchange (ETDEWEB)

Purohit, G., E-mail: ghanshyam.purohit@spsu.ac.in [Department of Physics, School of Engineering, Sir Padampat Singhania University, Bhatewar, Udaipur 313 601 (India); Singh, P. [Department of Physics, School of Engineering, Sir Padampat Singhania University, Bhatewar, Udaipur 313 601 (India); Dorn, A.; Ren, X. [Max Planck Institute for Nuclear Physics, 69117 Heidelberg (Germany); Patidar, V. [Department of Physics, School of Engineering, Sir Padampat Singhania University, Bhatewar, Udaipur 313 601 (India)

2016-05-15

Highlights: • Present paper describes electron impact single ionization of helium atoms near threshold. • This energy range provided challenges to theoretical models due to presence of several physical effects at low energies such as second order processes, PCI, polarization, etc. • Inclusion of second Born term and target polarization is helpful to analyze the measurements. • Present paper also describes usefulness of post collisional interaction in the collision dynamics at low energies. - Abstract: Low energy electron impact single ionization triple differential cross section (TDCS) results are reported for the helium atoms in the threshold regime at 1 eV, 3 eV and 5 eV excess energy. TDCSs are calculated in the doubly symmetric kinematics for the coplanar to perpendicular emission of electrons. Present attempt to calculate TDCS in the second Born approximation and treating target polarization and post collision interaction is helpful to analyze the available measurements. The second order processes, target polarization and post collision interaction (PCI) have been found to be significant in describing the trends of TDCS and helpful to produce reasonably good agreement with measurements.

Triple differential cross section for the near threshold single ionization of helium atoms for equal energy sharing

International Nuclear Information System (INIS)

Purohit, G.; Singh, P.; Dorn, A.; Ren, X.; Patidar, V.

2016-01-01

Highlights: • Present paper describes electron impact single ionization of helium atoms near threshold. • This energy range provided challenges to theoretical models due to presence of several physical effects at low energies such as second order processes, PCI, polarization, etc. • Inclusion of second Born term and target polarization is helpful to analyze the measurements. • Present paper also describes usefulness of post collisional interaction in the collision dynamics at low energies. - Abstract: Low energy electron impact single ionization triple differential cross section (TDCS) results are reported for the helium atoms in the threshold regime at 1 eV, 3 eV and 5 eV excess energy. TDCSs are calculated in the doubly symmetric kinematics for the coplanar to perpendicular emission of electrons. Present attempt to calculate TDCS in the second Born approximation and treating target polarization and post collision interaction is helpful to analyze the available measurements. The second order processes, target polarization and post collision interaction (PCI) have been found to be significant in describing the trends of TDCS and helpful to produce reasonably good agreement with measurements.

Asteroseismology of white dwarf stars. I - Adiabatic results

Energy Technology Data Exchange (ETDEWEB)

Bradley, P.A.; Winget, D.E. (Texas, University (USA) McDonald Observatory, Austin (USA))

1991-02-01

A preliminary investigation of the asteroseismological properties of chemically stratified evolutionary DA and DB white dwarf models is reported. The period and kinetic energy distributions for nonradial g-modes of spherical harmonic indices l = 1-3 are computed in the adiabatic approximation, and the effects of varying the total stellar masss and the surface layer masses on the pulsation properties are studied using an extensive grid of models. Significant resonant mode trapping due to chemical stratification is found. Modes trapped in the outer layers have much lower kinetic energies; these minima also show up as minima in the period spacing between modes of consecutive radial overtone k. Mode trapping occurs at the same or nearly the same value of k for different l-values. Thus, l-values of trapped modes may be identified on the basis of their period ratios. It is shown that observational identification of these period ratios can be used to constrain the mass of the star and its surface layer. 68 refs.

Critically Evaluated Energy Levels, Spectral Lines, Transition Probabilities, and Intensities of Singly Ionized Vanadium (V ii)

Energy Technology Data Exchange (ETDEWEB)

Saloman, Edward B. [Dakota Consulting, Inc., 1110 Bonifant Street, Suite 310, Silver Spring, MD 20910 (United States); Kramida, Alexander [National Institute of Standards and Technology, Gaithersburg, MD 20899 (United States)

2017-08-01

The energy levels, observed spectral lines, and transition probabilities of singly ionized vanadium, V ii, have been compiled. The experimentally derived energy levels belong to the configurations 3 d {sup 4}, 3 d {sup 3} ns ( n  = 4, 5, 6), 3 d {sup 3} np , and 3 d {sup 3} nd ( n  = 4, 5), 3 d {sup 3}4 f , 3 d {sup 2}4 s {sup 2}, and 3 d {sup 2}4 s 4 p . Also included are values for some forbidden lines that may be of interest to the astrophysical community. Experimental Landé g -factors and leading percentages for the levels are included when available, as well as Ritz wavelengths calculated from the energy levels. Wavelengths and transition probabilities are reported for 3568 and 1896 transitions, respectively. From the list of observed wavelengths, 407 energy levels are determined. The observed intensities, normalized to a common scale, are provided. From the newly optimized energy levels, a revised value for the ionization energy is derived, 118,030(60) cm{sup −1}, corresponding to 14.634(7) eV. This is 130 cm{sup −1} higher than the previously recommended value from Iglesias et al.

Kinetic Theory Derivation of the Adiabatic Law for Ideal Gases.

Science.gov (United States)

Sobel, Michael I.

1980-01-01

Discusses how the adiabatic law for ideal gases can be derived from the assumption of a Maxwell-Boltzmann (or any other) distribution of velocities--in contrast to the usual derivations from thermodynamics alone, and the higher-order effect that leads to one-body viscosity. An elementary derivation of the adiabatic law is given. (Author/DS)

Digitized adiabatic quantum computing with a superconducting circuit.

Science.gov (United States)

Barends, R; Shabani, A; Lamata, L; Kelly, J; Mezzacapo, A; Las Heras, U; Babbush, R; Fowler, A G; Campbell, B; Chen, Yu; Chen, Z; Chiaro, B; Dunsworth, A; Jeffrey, E; Lucero, E; Megrant, A; Mutus, J Y; Neeley, M; Neill, C; O'Malley, P J J; Quintana, C; Roushan, P; Sank, D; Vainsencher, A; Wenner, J; White, T C; Solano, E; Neven, H; Martinis, John M

2016-06-09

Quantum mechanics can help to solve complex problems in physics and chemistry, provided they can be programmed in a physical device. In adiabatic quantum computing, a system is slowly evolved from the ground state of a simple initial Hamiltonian to a final Hamiltonian that encodes a computational problem. The appeal of this approach lies in the combination of simplicity and generality; in principle, any problem can be encoded. In practice, applications are restricted by limited connectivity, available interactions and noise. A complementary approach is digital quantum computing, which enables the construction of arbitrary interactions and is compatible with error correction, but uses quantum circuit algorithms that are problem-specific. Here we combine the advantages of both approaches by implementing digitized adiabatic quantum computing in a superconducting system. We tomographically probe the system during the digitized evolution and explore the scaling of errors with system size. We then let the full system find the solution to random instances of the one-dimensional Ising problem as well as problem Hamiltonians that involve more complex interactions. This digital quantum simulation of the adiabatic algorithm consists of up to nine qubits and up to 1,000 quantum logic gates. The demonstration of digitized adiabatic quantum computing in the solid state opens a path to synthesizing long-range correlations and solving complex computational problems. When combined with fault-tolerance, our approach becomes a general-purpose algorithm that is scalable.

Chaos induced by quantum effect due to breakdown of the Born-Oppenheimer adiabaticity

International Nuclear Information System (INIS)

Fujisaki, Hiroshi; Takatsuka, Kazuo

2001-01-01

Chaos in the multimode nonadiabatic system constructed by Heller [J. Chem. Phys. >92, 1718 (1990)], which consists of two diabatic two-dimensional harmonic potentials with the Condon coupling, is studied. A thorough investigation is carried out by scanning the magnitudes of the Condon coupling and the Duschinsky angle. To elucidate mechanisms that can cause chaos in this quantum system, the statistical properties of the energy levels and eigenfunctions of the system are investigated. We find an evidence in terms of the nearest-neighbor spacing distribution of energy levels and other measures that a certain class of chaos is purely induced by the nonadiabatic interaction due to breakdown of the Born-Oppenheimer approximation. Since the nonadiabatic transition can induce repeated bifurcation and merging of a wave packet around the region of quasicrossing between two potential surfaces, and since this interaction does not have a counterpart in the lower adiabatic system, the present chaos deserves being called 'nonadiabatic chaos.' Another type of chaos in a nonadiabatic system was previously identified [D. M. Leitner et al., J. Chem. Phys. >104, 434 (1996)] that reflects the inherent chaos of a corresponding adiabatic potential. We present a comparative study to establish the similarity and difference between these kinds of chaos

Predicting the effect of relaxation during frequency-selective adiabatic pulses

Science.gov (United States)

Pfaff, Annalise R.; McKee, Cailyn E.; Woelk, Klaus

2017-11-01

Adiabatic half and full passages are invaluable for achieving uniform, B1-insensitive excitation or inversion of macroscopic magnetization across a well-defined range of NMR frequencies. To accomplish narrow frequency ranges with adiabatic pulses (computer-calculated data with experimental results demonstrates that, in non-viscous, small-molecule fluids, it is possible to model magnetization and relaxation by considering standard T1 and T2 relaxation in the traditional rotating frame. The proposed model is aimed at performance optimizations of applications in which these pulses are employed. It differs from previous reports which focused on short high-power adiabatic pulses and relaxation that is governed by dipole-dipole interactions, cross polarization, or chemical exchange.

Losses of neutral injected fast ions due to adiabaticity breaking processes in a field-reversed configuration

International Nuclear Information System (INIS)

Takahashi, Toshiki; Inoue, Koji; Ishizuka, Takashi; Kondoh, Yoshiomi; Iwasawa, Naotaka

2004-02-01

Losses of neutral beam (NB) injected fast ions from the confinement region of a Field-Reversed Configuration (FRC) with a strong magnetic mirror are numerically analyzed for parameters relevant to NB injection experiments on the FIX (FRC injection experiment) device [T. Asai et al., Phys. Plasmas 7, 2294 (2000)]. Ionization processes of beam particles are calculated by the Monte Carlo method. The confinement of beam ions is discussed with the concept of accessible regions that restrict the ion excursion and are determined from two constants of motion, the kinetic energy and canonical angular momentum, in the case of an axisymmetric and a steady state FRC without an electrostatic field. From the calculation of the accessible regions, it is found that all the fast ions suffer from the orbit loss on the wall surface and/or the end loss. Single particle orbits are also calculated to find a difference of confinement properties from the results by employing the accessible regions. The magnetic moment is observed to show non-adiabatic motions of the beam ions, which cause a gradual orbit loss on the wall even in a case that a strong magnetic mirror is applied. The results show that the correlation of the magnetic moment disappears as the fast ions experience the density gradient around the separatrix surface and the field-null points. (author)

Fitting methods for constructing energy-dependent efficiency curves and their application to ionization chamber measurements

International Nuclear Information System (INIS)

Svec, A.; Schrader, H.

2002-01-01

An ionization chamber without and with an iron liner (absorber) was calibrated by a set of radionuclide activity standards of the Physikalisch-Technische Bundesanstalt (PTB). The ionization chamber is used as a secondary standard measuring system for activity at the Slovak Institute of Metrology (SMU). Energy-dependent photon-efficiency curves were established for the ionization chamber in defined measurement geometry without and with the liner, and radionuclide efficiencies were calculated. Programmed calculation with an analytical efficiency function and a nonlinear regression algorithm of Microsoft (MS) Excel for fitting was used. Efficiencies from bremsstrahlung of pure beta-particle emitters were calibrated achieving a 10% accuracy level. Such efficiency components are added to obtain the total radionuclide efficiency of photon emitters after beta decay. The method yields differences of experimental and calculated radionuclide efficiencies for most of the photon-emitting radionuclides in the order of a few percent

K-shell ionization by antiprotons

International Nuclear Information System (INIS)

Mehler, G.; Mueller, B.; Greiner, W.; Soff, G.

1987-01-01

We present first calculations for the impact parameter dependence of K-shell ionization rates in anti pCu and in anti pAg collisions at various projectile energies. We show that the effect of the attractive Coulomb potential on the Rutherford trajectory and the anti-binding effect caused by the negative charge of the antiproton result in a considerable increase of the ionization probability. Total ionization cross-sections for proton and antiproton projectiles are compared with each other and with experimental ionization cross-sections for protons. (orig.)

Polymers under ionizing radiation: the study of energy transfers to radiation induced defects

International Nuclear Information System (INIS)

Ventura, A.

2013-01-01

Radiation-induced defects created in polymers submitted to ionizing radiations, under inert atmosphere, present the same trend as a function of the dose. When the absorbed dose increases, their concentrations increase then level off. This behavior can be assigned to energy transfers from the polymer to the previously created macromolecular defects; the latter acting as energy sinks. During this thesis, we aimed to specify the influence of a given defect, namely the trans-vinylene, in the behavior of polyethylene under ionizing radiations. For this purpose, we proposed a new methodology based on the specific insertion, at various concentrations, of trans-vinylene groups in the polyethylene backbone through chemical synthesis. This enables to get rid of the variety of created defects on one hand and on the simultaneity of their creation on the other hand. Modified polyethylenes, containing solely trans-vinylene as odd groups, were irradiated under inert atmosphere, using either low LET beams (gamma, beta) or high LET beams (swift heavy ions). During irradiations, both macromolecular defects and H 2 emission were quantified. According to experimental results, among all defects, the influence of the trans-vinylene on the behavior of polyethylene is predominant. (author) [fr

Charge dependence of the ratio of double to total ionization of a helium-like ion by Compton scattering of a high energy photon

International Nuclear Information System (INIS)

Suric, T.; Pisk, K.; Pratt, R.H.

1996-01-01

We examine the charge (Z) dependence of the nonrelativistic high energy limit for the double to total ionization ratio by Compton scattering of a photon, as well as by the photoeffect, utilizing our approach based on the impulse approximation or on the generalized shake-off theory. For all Z our high energy Compton ratio is about half the corresponding photoeffect ratio, calculated using the same assumptions or, alternatively, the ratio of double ionization by Compton scattering to double ionization by the photoeffect is about half the ratio for single ionization. We conclude that all current Compton calculations are consistent with this result, and we show that the recent calculation of Amusia and Mikhailov [Phys. Lett. A 199 (1995) 209] corresponds to our high Z results. (orig.)

Adiabatic Gasification and Pyrolysis of Coffee Husk Using Air-Steam for Partial Oxidation

OpenAIRE

Catalina Rodriguez; Gerardo Gordillo

2011-01-01

Colombian coffee industry produces about 0.6 million tons of husk (CH) per year which could serve as feedstock for thermal gasification to produce gaseous and liquid fuels. The current paper deals with: (i) CH adiabatic gasification modeling using air-steam blends for partial oxidation and (ii) experimental thermogravimetric analysis to determine the CH activation energy (E). The Chemical Equilibrium with Applications Program (CEA), developed by NASA, was used to estimate the effect of equiva...

Adiabatic surface thermometer for improved production braze quality

International Nuclear Information System (INIS)

Dittbenner, G.R.

1975-01-01

An adiabatic surface thermometer was developed to control automatically the critical temperature-time cycle of a production vacuum-brazing process. Investigations revealed that optimum braze-joint strength required precise control of the brazing temperature. Spot-welded thermocouples could not be used because the spot welds cause surface damage. This thermometer touches the surface and uses a differential thermocouple and heater to measure surface temperature without heat flow, thereby eliminating large errors caused by conduction losses common to conventional spring-loaded thermocouples. Temperatures in air or vacuum are measured to 800 0 C with errors less than 5 0 C. This thermometer has minimized the rejection of production parts, resulting in a cost saving to the U. S. Energy Research and Development Administration

Formation of positive cluster ions Li(n) Br (n = 2-7) and ionization energies studied by thermal ionization mass spectrometry.

Science.gov (United States)

Veličković, S R; Đustebek, J B; Veljković, F M; Veljković, M V

2012-05-01

Clusters of the type Li(n)X (X = halides) can be considered as potential building blocks of cluster-assembly materials. In this work, Li(n)Br (n = 2-7) clusters were obtained by a thermal ionization source of modified design and selected by a magnetic sector mass spectrometer. Positive ions of the Li(n)Br (n = 4-7) cluster were detected for the first time. The order of ion intensities was Li(2)Br(+) > Li(4)Br(+) > Li(5)Br(+) > Li(6)Br(+) > Li(3)Br(+). The ionization energies (IEs) were measured and found to be 3.95 ± 0.20 eV for Li(2)Br, 3.92 ± 0.20 eV for Li(3)Br, 3.93 ± 0.20 eV for Li(4)Br, 4.08 ± 0.20 eV for Li(5)Br, 4.14 ± 0.20 eV for Li(6)Br and 4.19 ± 0.20 eV for Li(7)Br. All of these clusters have a much lower ionization potential than that of the lithium atom, so they belong to the superalkali class. The IEs of Li(n)Br (n = 2-4) are slightly lower than those in the corresponding small Li(n) or Li(n)H clusters, whereas the IEs of Li(n)Br are very similar to those of Li(n) or Li(n)H for n = 5 and 6. The thermal ionization source of modified design is an important means for simultaneously obtaining and measuring the IEs of Li(n)Br (n = 2-7) clusters (because their ions are hermodynamically stable with respect to the loss of lithium atoms in the gas phase) and increasingly contributes toward the development of clusters for practical applications. Copyright © 2012 John Wiley & Sons, Ltd.

Trapped Ion Quantum Computation by Adiabatic Passage

International Nuclear Information System (INIS)

Feng Xuni; Wu Chunfeng; Lai, C. H.; Oh, C. H.

2008-01-01

We propose a new universal quantum computation scheme for trapped ions in thermal motion via the technique of adiabatic passage, which incorporates the advantages of both the adiabatic passage and the model of trapped ions in thermal motion. Our scheme is immune from the decoherence due to spontaneous emission from excited states as the system in our scheme evolves along a dark state. In our scheme the vibrational degrees of freedom are not required to be cooled to their ground states because they are only virtually excited. It is shown that the fidelity of the resultant gate operation is still high even when the magnitude of the effective Rabi frequency moderately deviates from the desired value.

Multi-objective optimization of Stirling engine using non-ideal adiabatic method

International Nuclear Information System (INIS)

Toghyani, Somayeh; Kasaeian, Alibakhsh; Ahmadi, Mohammad H.

2014-01-01

Highlights: • A multi-objective optimization is carried out for a Stirling engine. • The methods of TOPSIS, Fuzzy, and LINMAP are compared with each other in aspect of optimization. • The results are compared with the previous works for checking the model improvement. • A proper improvement is observed using TOPSIS when comparing with the others. - Abstract: In the recent years, remarkable attention is drawn to Stirling engine due to noticeable advantages, for instance a lot of resources such as biomass, fossil fuels and solar energy can be applied as heat source. Great numbers of studies are conducted on Stirling engines and non-ideal adiabatic method is one of them. In the present study, the efficiency and the power loss due to pressure drop into the heat exchangers are optimized for a Stirling system using non-ideal adiabatic analysis and the second-version Non-dominated Sorting Genetic Algorithm. The optimized answers are chosen from the results using three decision-making methods. The applied methods were compared at last and the best results were obtained for the technique for order preference by similarity to ideal solution decision making method

ADIABATIC HEATING OF CONTRACTING TURBULENT FLUIDS

International Nuclear Information System (INIS)

Robertson, Brant; Goldreich, Peter

2012-01-01

Turbulence influences the behavior of many astrophysical systems, frequently by providing non-thermal pressure support through random bulk motions. Although turbulence is commonly studied in systems with constant volume and mean density, turbulent astrophysical gases often expand or contract under the influence of pressure or gravity. Here, we examine the behavior of turbulence in contracting volumes using idealized models of compressed gases. Employing numerical simulations and an analytical model, we identify a simple mechanism by which the turbulent motions of contracting gases 'adiabatically heat', experiencing an increase in their random bulk velocities until the largest eddies in the gas circulate over a Hubble time of the contraction. Adiabatic heating provides a mechanism for sustaining turbulence in gases where no large-scale driving exists. We describe this mechanism in detail and discuss some potential applications to turbulence in astrophysical settings.

Adiabatic perturbation theory in quantum dynamics

CERN Document Server

Teufel, Stefan

2003-01-01

Separation of scales plays a fundamental role in the understanding of the dynamical behaviour of complex systems in physics and other natural sciences. A prominent example is the Born-Oppenheimer approximation in molecular dynamics. This book focuses on a recent approach to adiabatic perturbation theory, which emphasizes the role of effective equations of motion and the separation of the adiabatic limit from the semiclassical limit. A detailed introduction gives an overview of the subject and makes the later chapters accessible also to readers less familiar with the material. Although the general mathematical theory based on pseudodifferential calculus is presented in detail, there is an emphasis on concrete and relevant examples from physics. Applications range from molecular dynamics to the dynamics of electrons in a crystal and from the quantum mechanics of partially confined systems to Dirac particles and nonrelativistic QED.

Spectrum and energy levels of six-times-ionized molybdenum (Mo VII)

International Nuclear Information System (INIS)

Reader, J.

1990-01-01

The spectrum of the kryptonlike ion Mo VII was observed from 140 to 2274 A with sliding-spark discharges on 10.7-m normal- and grazing-incidence spectrographs. Experimental energies were determined for all levels of the 4s 2 4p 6 , 4s 2 4p 5 4d, 4f, 5s, 5p, 5d, 5f, 5g, and 4s4p 6 4d configurations. A few levels of the 4s 2 4p 4 4d 2 configuration were also found. A total of 399 lines were classified as transitions between 86 observed levels. The observed configurations were theoretically interpreted. The energy parameters determined by least-squares fits to the observed levels are compared with Hartree--Fock calculations. A revised value of the ionization energy was obtained by using the energy of the 4p 5 5g configuration together with an isoelectronically extrapolated value of the effective quantum number n(5g). The adopted limit is 1 013 340±200 cm -1 (125.64±0.02 eV)

Random matrix model of adiabatic quantum computing

International Nuclear Information System (INIS)

Mitchell, David R.; Adami, Christoph; Lue, Waynn; Williams, Colin P.

2005-01-01

We present an analysis of the quantum adiabatic algorithm for solving hard instances of 3-SAT (an NP-complete problem) in terms of random matrix theory (RMT). We determine the global regularity of the spectral fluctuations of the instantaneous Hamiltonians encountered during the interpolation between the starting Hamiltonians and the ones whose ground states encode the solutions to the computational problems of interest. At each interpolation point, we quantify the degree of regularity of the average spectral distribution via its Brody parameter, a measure that distinguishes regular (i.e., Poissonian) from chaotic (i.e., Wigner-type) distributions of normalized nearest-neighbor spacings. We find that for hard problem instances - i.e., those having a critical ratio of clauses to variables - the spectral fluctuations typically become irregular across a contiguous region of the interpolation parameter, while the spectrum is regular for easy instances. Within the hard region, RMT may be applied to obtain a mathematical model of the probability of avoided level crossings and concomitant failure rate of the adiabatic algorithm due to nonadiabatic Landau-Zener-type transitions. Our model predicts that if the interpolation is performed at a uniform rate, the average failure rate of the quantum adiabatic algorithm, when averaged over hard problem instances, scales exponentially with increasing problem size

Construction of diabatic energy surfaces for LiFH with artificial neural networks

Science.gov (United States)

Guan, Yafu; Fu, Bina; Zhang, Dong H.

2017-12-01

A new set of diabatic potential energy surfaces (PESs) for LiFH is constructed with artificial neural networks (NNs). The adiabatic PESs of the ground state and the first excited state are directly fitted with NNs. Meanwhile, the adiabatic-to-diabatic transformation (ADT) angles (mixing angles) are obtained by simultaneously fitting energy difference and interstate coupling gradients. No prior assumptions of the functional form of ADT angles are used before fitting, and the ab initio data including energy difference and interstate coupling gradients are well reproduced. Converged dynamical results show remarkable differences between adiabatic and diabatic PESs, which suggests the significance of non-adiabatic processes.

Compact beam splitters in coupled waveguides using shortcuts to adiabaticity

Science.gov (United States)

Chen, Xi; Wen, Rui-Dan; Shi, Jie-Long; Tseng, Shuo-Yen

2018-04-01

There are various works on adiabatic (three) waveguide coupler devices but most are focused on the quantum optical analogies and the physics itself. We successfully apply shortcuts to adiabaticity techniques to the coupled waveguide system with a suitable length for integrated optics devices. Especially, the counter-diabatic driving protocol followed by unitary transformation overcomes the previously unrealistic implemention, and is used to design feasible and robust 1 × 2 and 1 × 3 beam splitters for symmetric and asymmetric three waveguide couplers. Numerical simulations with the beam propagation method demonstrate that these shortcut designs for beam splitters are shorter than the adiabatic ones, and also have a better tolerance than parallel waveguides resonant beam splitters with respect to spacing errors and wavelength variation.

First step towards a non-adiabatic description of the fission process based on the Generator Coordinate Method

Directory of Open Access Journals (Sweden)

Lacroix D.

2010-03-01

Full Text Available Among the different theoretical approaches able to describe fission, microscopic ones can help us in the understanding of this process, as they have the advantage of describing the nuclear structure and the dynamics in a consistent manner. The sole input of the calculations is the nucleon-nucleon interaction. Such a microscopic time-dependent and quantum mechanical formalism has already been used, based on the Gaussian Overlap Approximation of the Generator Coordinate Method with the adiabatic approximation, to analyze the collective dynamics of low-energy fission in 238U [1]. However, at higher energies, a few MeV above the barrier, the adiabatic approximation doesn’t seem valid anymore. Indeed, manifestations of proton pair breaking have been observed in 238U and 239U for an excitation energy of 2.3 MeV above the barrier [2–4]. Taking the intrinsic excitations into account during the fission process will enable us to determine the coupling between collective and intrinsic degrees of freedom, in particular from saddle to scission. Guidelines of the new formalism under development are presented and some preliminary results on overlaps between non excited and excited states are discussed.

First Step Towards a Non-Adiabatic Description of the Fission Process Based on the Generator Coordinate Method

International Nuclear Information System (INIS)

Bernard, R.; Goutte, H.; Gogny, D.; Dubray, N.; Lacroix, D.

2009-01-01

Among the different theoretical approaches able to describe fission, microscopic ones can help us in the understanding of this process, as they have the advantage of describing the nuclear structure and the dynamics in a consistent manner. The sole input of the calculations is the nucleon-nucleon interaction. Such a microscopic time-dependent and quantum mechanical formalism has already been used, based on the Gaussian Overlap Approximation of the Generator Coordinate Method with the adiabatic approximation, to analyze the collective dynamics of low-energy fission in 238 U. However, at higher energies, a few MeV above the barrier, the adiabatic approximation doesn't seem valid anymore. Indeed, manifestations of proton pair breaking have been observed in 238 U and 239 U for an excitation energy of 2.3 MeV above the barrier. Taking the intrinsic excitations into account during the fission process will enable us to determine the coupling between collective and intrinsic degrees of freedom, in particular from saddle to scission. Guidelines of the new formalism under development are presented and some preliminary results on overlaps between non excited and excited states are discussed.

Mass spectrometry of solid samples in open air using combined laser ionization and ambient metastable ionization

International Nuclear Information System (INIS)

He, X.N.; Xie, Z.Q.; Gao, Y.; Hu, W.; Guo, L.B.; Jiang, L.; Lu, Y.F.

2012-01-01

Mass spectrometry of solid samples in open air was carried out using combined laser ionization and metastable ionization time-of-flight mass spectrometry (LI-MI-TOFMS) in ambient environment for qualitative and semiquantitative (relative analyte information, not absolute information) analysis. Ambient metastable ionization using a direct analysis in realtime (DART) ion source was combined with laser ionization time-of-flight mass spectrometry (LI-TOFMS) to study the effects of combining metastable and laser ionization. A series of metallic samples from the National Institute of Standards and Technology (NIST 494, 495, 498, 499, and 500) and a pure carbon target were characterized using LI-TOFMS in open air. LI-MI-TOFMS was found to be superior to laser-induced breakdown spectroscopy (LIBS). Laser pulse energies between 10 and 200 mJ at the second harmonic (532 nm) of an Nd:YAG laser were applied in the experiment to obtain a high degree of ionization in plasmas. Higher laser pulse energy improves signal intensities of trace elements (such as Fe, Cr, Mn, Ni, Ca, Al, and Ag). Data were analyzed by numerically calculating relative sensitivity coefficients (RSCs) and limit of detections (LODs) from mass spectrometry (MS) and LIBS spectra. Different parameters, such as boiling point, ionization potential, RSC, LOD, and atomic weight, were shown to analyze the ionization and MS detection processes in open air.

Energy dependence of the ionization of highly excited atoms by collisions with excited atoms

International Nuclear Information System (INIS)

Shirai, T.; Nakai, Y.; Nakamura, H.

1979-01-01

Approximate analytical expressions are derived for the ionization cross sections in the high- and low-collision-energy limits using the improved impulse approximation based on the assumption that the electron-atom inelastic-scattering amplitude is a function only of the momentum transfer. Both cases of simultaneous excitation and de-excitation of one of the atoms are discussed. The formulas are applied to the collisions between two excited hydrogen atoms and are found very useful for estimating the cross sections in the wide range of collisions energies

Ejected electron energy distribution in the ionization of atomic hydrogen by C6+ impact

International Nuclear Information System (INIS)

Dey, Ritu; Roy, A.C.

2006-01-01

We report doubly differential cross section (DDCS) for C 6+ impact ionization of atomic hydrogen at the incident energy of 2.5 MeV/amu. The calculation is based on the eikonal approximation (EA) method. A comparison is made of the present DDCS with the results of other theoretical methods and experiment. It is found that the multiple scattering effect has a significant influence on the energy distributions of the ejected electrons. The cross sections predicted by the present EA also show reasonably good agreement with experiment

Electron impact ionization of the gas-phase sorbitol

Science.gov (United States)

Chernyshova, Irina; Markush, Pavlo; Zavilopulo, Anatoly; Shpenik, Otto

2015-03-01

Ionization and dissociative ionization of the sorbitol molecule by electron impact have been studied using two different experimental methods. In the mass range of m/ z = 10-190, the mass spectra of sorbitol were recorded at the ionizing electron energies of 70 and 30 eV. The ion yield curves for the fragment ions have been analyzed and the appearance energies of these ions have been determined. The relative total ionization cross section of the sorbitol molecule was measured using monoenergetic electron beam. Possible fragmentation pathways for the sorbitol molecule were proposed.

Failure of geometric electromagnetism in the adiabatic vector Kepler problem

International Nuclear Information System (INIS)

Anglin, J.R.; Schmiedmayer, J.

2004-01-01

The magnetic moment of a particle orbiting a straight current-carrying wire may precess rapidly enough in the wire's magnetic field to justify an adiabatic approximation, eliminating the rapid time dependence of the magnetic moment and leaving only the particle position as a slow degree of freedom. To zeroth order in the adiabatic expansion, the orbits of the particle in the plane perpendicular to the wire are Keplerian ellipses. Higher-order postadiabatic corrections make the orbits precess, but recent analysis of this 'vector Kepler problem' has shown that the effective Hamiltonian incorporating a postadiabatic scalar potential ('geometric electromagnetism') fails to predict the precession correctly, while a heuristic alternative succeeds. In this paper we resolve the apparent failure of the postadiabatic approximation, by pointing out that the correct second-order analysis produces a third Hamiltonian, in which geometric electromagnetism is supplemented by a tensor potential. The heuristic Hamiltonian of Schmiedmayer and Scrinzi is then shown to be a canonical transformation of the correct adiabatic Hamiltonian, to second order. The transformation has the important advantage of removing a 1/r 3 singularity which is an artifact of the adiabatic approximation

Calculations on charge state and energy loss of argon ions in partially and fully ionized carbon plasmas.

Science.gov (United States)

Barriga-Carrasco, Manuel D; Casas, David; Morales, Roberto

2016-03-01

The energy loss of argon ions in a target depends on their velocity and charge density. At the energies studied in this work, it depends mostly on the free and bound electrons in the target. Here the random-phase approximation is used for analyzing free electrons at any degeneracy. For the plasma-bound electrons, an interpolation between approximations for low and high energies is applied. The Brandt-Kitagawa (BK) model is employed to depict the projectile charge space distribution, and the stripping criterion of Kreussler et al. is used to determine its equilibrium charge state Q(eq). This latter criterion implies that the equilibrium charge state depends slightly on the electron density and temperature of the plasma. On the other hand, the effective charge Q(eff) is obtained as the ratio between the energy loss of the argon ion and that of the proton for the same plasma conditions. This effective charge Q(eff) is larger than the equilibrium charge state Q(eq) due to the incorporation of the BK charge distribution. Though our charge-state estimations are not exactly the same as the experimental values, our energy loss agrees quite well with the experiments. It is noticed that the energy loss in plasmas is higher than that in the same cold target of about, ∼42-62.5% and increases with carbon plasma ionization. This confirms the well-known enhanced plasma stopping. It is also observed that only a small part of this energy loss enhancement is due to an increase of the argon charge state, namely only ∼2.2 and 5.1%, for the partially and the fully ionized plasma, respectively. The other contribution is connected with a better energy transfer to the free electrons at plasma state than to the bound electrons at solid state of about, ∼38.8-57.4%, where higher values correspond to a fully ionized carbon plasma.

Is energy pooling necessary in ultraviolet matrix-assisted laser desorption/ionization?

Science.gov (United States)

Lin, Hou-Yu; Song, Botao; Lu, I-Chung; Hsu, Kuo-Tung; Liao, Chih-Yu; Lee, Yin-Yu; Tseng, Chien-Ming; Lee, Yuan-Tseh; Ni, Chi-Kung

2014-01-15

Energy pooling has been suggested as the key process for generating the primary ions during ultraviolet matrix-assisted laser desorption/ionization (UV-MALDI). In previous studies, decreases in fluorescence quantum yields as laser fluence increased for 2-aminobenzoic acid, 2,5-dihydroxybenzoic acid (2,5-DHB), and 3-hydroxypicolinic acid were used as evidence of energy pooling. This work extends the research to other matrices and addresses whether energy pooling is a universal property in UV-MALDI. Energy pooling was investigated in a time-resolved fluorescence experiment by using a short laser pulse (355 nm, 20 ps pulse width) for excitation and a streak camera (1 ps time resolution) for fluorescence detection. The excited-state lifetime of 2,5-DHB decreased with increases in laser fluence. This suggests that a reaction occurs between two excited molecules, and that energy pooling may be one of the possible reactions. However, the excited-state lifetime of 2,4,6-trihydroxyacetophenone (THAP) did not change with increases in laser fluence. The upper limit of the energy pooling rate constant for THAP is estimated to be approximately 100-500 times smaller than that of 2,5-DHB. The small energy pooling rate constant for THAP indicates that the potential contribution of the energy pooling mechanism to the generation of THAP matrix primary ions should be reconsidered. Copyright © 2013 John Wiley & Sons, Ltd.

Plasma production via field ionization

Directory of Open Access Journals (Sweden)

C. L. O’Connell

2006-10-01

Full Text Available Plasma production via field ionization occurs when an incoming particle beam is sufficiently dense that the electric field associated with the beam ionizes a neutral vapor or gas. Experiments conducted at the Stanford Linear Accelerator Center explore the threshold conditions necessary to induce field ionization by an electron beam in a neutral lithium vapor. By independently varying the transverse beam size, number of electrons per bunch, or bunch length, the radial component of the electric field is controlled to be above or below the threshold for field ionization. Additional experiments ionized neutral xenon and neutral nitric oxide by varying the incoming beam’s bunch length. A self-ionized plasma is an essential step for the viability of plasma-based accelerators for future high-energy experiments.

Simulation of adiabatic thermal beams in a periodic solenoidal magnetic focusing field

Directory of Open Access Journals (Sweden)

T. J. Barton

2012-12-01

Full Text Available Self-consistent particle-in-cell simulations are performed to verify earlier theoretical predictions of adiabatic thermal beams in a periodic solenoidal magnetic focusing field [K. R. Samokhvalova, J. Zhou, and C. Chen, Phys. Plasmas 14, 103102 (2007PHPAEN1070-664X10.1063/1.2779281; J. Zhou, K. R. Samokhvalova, and C. Chen, Phys. Plasmas 15, 023102 (2008PHPAEN1070-664X10.1063/1.2837891]. In particular, results are obtained for adiabatic thermal beams that do not rotate in the Larmor frame. For such beams, the theoretical predictions of the rms beam envelope, the conservations of the rms thermal emittances, the adiabatic equation of state, and the Debye length are verified in the simulations. Furthermore, the adiabatic thermal beam is found be stable in the parameter regime where the simulations are performed.

Connection between optimal control theory and adiabatic-passage techniques in quantum systems

Science.gov (United States)

Assémat, E.; Sugny, D.

2012-08-01

This work explores the relationship between optimal control theory and adiabatic passage techniques in quantum systems. The study is based on a geometric analysis of the Hamiltonian dynamics constructed from Pontryagin's maximum principle. In a three-level quantum system, we show that the stimulated Raman adiabatic passage technique can be associated to a peculiar Hamiltonian singularity. One deduces that the adiabatic pulse is solution of the optimal control problem only for a specific cost functional. This analysis is extended to the case of a four-level quantum system.

Change of adiabatic invariant near the separatrix

International Nuclear Information System (INIS)

Bulanov, S.V.

1995-10-01

The properties of particle motion in the vicinity of the separatrix in a phase plane are investigated. The change of adiabatic invariant value due to the separatrix crossing is evaluated as a function of a perturbation parameter magnitude and a phase of a particle for time dependent Hamiltonians. It is demonstrated that the change of adiabatic invariant value near the separatrix birth is much larger than that in the case of the separatrix crossing near the saddle point in a phase plane. The conditions of a stochastic regime to appear around the separatrix are found. The results are applied to study the longitudinal invariant behaviour of charged particles near singular lines of the magnetic field. (author). 22 refs, 9 figs

Multiple ionization and coupling effects in L-subshell ionization of heavy atoms by oxygen ions

International Nuclear Information System (INIS)

Pajek, M.; Banas, D.; Semaniak, J.; Braziewicz, J.; Majewska, U.; Chojnacki, S.; Czyzewski, T.; Fijal, I.; Jaskola, M.; Glombik, A.; Kretschmer, W.; Trautmann, D.; Lapicki, G.; Mukoyama, T.

2003-01-01

The multiple-ionization and coupling effects in L-shell ionization of atoms by heavy-ion impact have been studied by measuring the L x-ray production cross sections in solid targets of Au, Bi, Th, and U bombarded by oxygen ions in the energy range 6.4-70 MeV. The measured L x-ray spectra were analyzed using the recently proposed method accounting for the multiple-ionization effects, such as x-ray line shifting and broadening, which enables one to obtain the ionization probabilities for outer shells. The L-subshell ionization cross sections have been obtained from measured x-ray production cross sections for resolved Lα 1,2 , Lγ 1 , and Lγ 2,3 transitions using the L-shell fluorescence and Coster-Kronig yields being substantially modified by the multiple ionization in the M and N shells. In particular, the effect of closing of strong L 1 -L 3 M 4,5 Coster-Kronig transitions in multiple-ionized atoms was evidenced and discussed. The experimental ionization cross sections for the L 1 , L 2 , and L 3 subshells have been compared with the predictions of the semiclassical approximation (SCA) and the ECPSSR theory that includes the corrections for the binding-polarization effect within the perturbed stationary states approximation, the projecticle energy loss, and Coulomb deflection effects as well as the relativistic description of inner-shell electrons. These approaches were further modified to include the L-subshell couplings within the ''coupled-subshell model'' (CSM). Both approaches, when modified for the coupling effects, are in better agreement with the data. Particularly, the predictions of the SCA-CSM calculations reproduce the experimental L-subshell ionization cross section reasonably well. Remaining discrepancies are discussed qualitatively, in terms of further modifications of the L-shell decay rates caused by a change of electronic wave functions in multiple-ionized atoms

Perturbative treatment of possible failures in the adiabatic theorem

International Nuclear Information System (INIS)

Vertesi, T.; Englman, R.

2005-01-01

Complete text of publication follows. The adiabatic theorem (AT) is one of the oldest and basic results in quantum physics, and has been in widespread use ever since. The theorem concerns the evolution of systems subject to slowly varying Hamiltonians. Roughly, its content is that a system prepared in an instantaneous eigenstate of a time-dependent Hamiltonian H(t) will remain close to an instantaneous eigenstate at later times, provided the Hamiltonian changes sufficiently slowly. The role of the AT in the study of slowly varying quantum mechanical systems spans a vast array of fields and applications. In a recent application the adiabatic geometric phases have been proposed to perform various quantum computational tasks on a naturally fault-tolerant way. Additional interest has arisen in adiabatic processes in connection with the concept of adiabatic quantum computing, where the solution to a problem is encoded in the (unknown) ground state of a (known) Hamiltonian. The evolution of the quantum state is governed by a time-dependent Hamiltonian H(t), starting with an initial Hamiltonian H i with a known ground state and slowly (adiabatically) evolving to the final Hamiltonian H f with the unknown ground state, e.g., H(t) = (1 - t/T )H i + (t/T )H f , (1) where 0 ≤ t/T ≤ 1 and T controls the rate at which H(t) varies. Since the ground state of the system is very robust against external perturbations and decoherence, this scheme offers many advantages compared to the conventional quantum circuit model of quantum computation. The achievable speed-up of adiabatic quantum algorithms (compared to classical methods) depends on the value of the run-time T. The standard AT yields a general criterion to estimate the necessary run-time T, however recently Marzlin and Sanders have claimed that an inconsistency does exist for a particular class of Hamiltonians, so that the condition for the estimate of T may do not hold. Marzlin and Sanders start with a time

Implementation of nonseparable exact exchange effects in the first-order nondegenerate adiabatic theory

International Nuclear Information System (INIS)

Abdolsalami, M.; Abdolsalami, F.; Gonzalez, H.R.

1994-01-01

We have implemented nonlocal exchange effects rigorously in the first-order nondegenerate adiabatic (FONDA) theory. This implementation requires solving integrodifferential equations that involve double integrals. Separable and model exchange approximations that simplify the inclusion of exchange in the scattering calculations have been previously implemented in the FONDA theory. The discrepancy between the exact exchange FONDA cross sections and the separable and model exchange results suggests that one needs to include exchange rigorously to obtain accurate results over a wide range of energies. Specifically, a difference of up to 30% is observed between the exact and separable exchange FONDA cross sections at near-threshold energies. At higher energies the FONDA results from the rigorous and model exchange implementations disagree by as much as 10%

X-RAY SIGNATURES OF NON-EQUILIBRIUM IONIZATION EFFECTS IN GALAXY CLUSTER ACCRETION SHOCK REGIONS

International Nuclear Information System (INIS)

Wong, Ka-Wah; Sarazin, Craig L.; Ji Li

2011-01-01

The densities in the outer regions of clusters of galaxies are very low, and the collisional timescales are very long. As a result, heavy elements will be under-ionized after they have passed through the accretion shock. We have studied systematically the effects of non-equilibrium ionization for relaxed clusters in the ΛCDM cosmology using one-dimensional hydrodynamic simulations. We found that non-equilibrium ionization effects do not depend on cluster mass, but depend strongly on redshift which can be understood by self-similar scaling arguments. The effects are stronger for clusters at lower redshifts. We present X-ray signatures such as surface brightness profiles and emission lines in detail for a massive cluster at low redshift. In general, soft emission (0.3-1.0 keV) is enhanced significantly by under-ionization, and the enhancement can be nearly an order of magnitude near the shock radius. The most prominent non-equilibrium ionization signature we found is the O VII and O VIII line ratio. The ratios for non-equilibrium ionization and collisional ionization equilibrium models are different by more than an order of magnitude at radii beyond half of the shock radius. These non-equilibrium ionization signatures are equally strong for models with different non-adiabatic shock electron heating efficiencies. We have also calculated the detectability of the O VII and O VIII lines with the future International X-ray Observatory (IXO). Depending on the line ratio measured, we conclude that an exposure of ∼130-380 ks on a moderate-redshift, massive regular cluster with the X-ray Microcalorimeter Spectrometer (XMS) on the IXO will be sufficient to provide a strong test for the non-equilibrium ionization model.

Torsional energy levels of CH3OH+/CH3OD+/CD3OD+ studied by zero-kinetic energy photoelectron spectroscopy and theoretical calculations

International Nuclear Information System (INIS)

Dai, Zuyang; Gao, Shuming; Wang, Jia; Mo, Yuxiang

2014-01-01

The torsional energy levels of CH 3 OH + , CH 3 OD + , and CD 3 OD + have been determined for the first time using one-photon zero kinetic energy photoelectron spectroscopy. The adiabatic ionization energies for CH 3 OH, CH 3 OD, and CD 3 OD are determined as 10.8396, 10.8455, and 10.8732 eV with uncertainties of 0.0005 eV, respectively. Theoretical calculations have also been performed to obtain the torsional energy levels for the three isotopologues using a one-dimensional model with approximate zero-point energy corrections of the torsional potential energy curves. The calculated values are in good agreement with the experimental data. The barrier height of the torsional potential energy without zero-point energy correction was calculated as 157 cm −1 , which is about half of that of the neutral (340 cm −1 ). The calculations showed that the cation has eclipsed conformation at the energy minimum and staggered one at the saddle point, which is the opposite of what is observed in the neutral molecule. The fundamental C–O stretch vibrational energy level for CD 3 OD + has also been determined. The energy levels for the combinational excitation of the torsional vibration and the fundamental C–O stretch vibration indicate a strong torsion-vibration coupling

Torsional energy levels of CH₃OH⁺/CH₃OD⁺/CD₃OD⁺ studied by zero-kinetic energy photoelectron spectroscopy and theoretical calculations.

Science.gov (United States)

Dai, Zuyang; Gao, Shuming; Wang, Jia; Mo, Yuxiang

2014-10-14

The torsional energy levels of CH3OH(+), CH3OD(+), and CD3OD(+) have been determined for the first time using one-photon zero kinetic energy photoelectron spectroscopy. The adiabatic ionization energies for CH3OH, CH3OD, and CD3OD are determined as 10.8396, 10.8455, and 10.8732 eV with uncertainties of 0.0005 eV, respectively. Theoretical calculations have also been performed to obtain the torsional energy levels for the three isotopologues using a one-dimensional model with approximate zero-point energy corrections of the torsional potential energy curves. The calculated values are in good agreement with the experimental data. The barrier height of the torsional potential energy without zero-point energy correction was calculated as 157 cm(-1), which is about half of that of the neutral (340 cm(-1)). The calculations showed that the cation has eclipsed conformation at the energy minimum and staggered one at the saddle point, which is the opposite of what is observed in the neutral molecule. The fundamental C-O stretch vibrational energy level for CD3OD(+) has also been determined. The energy levels for the combinational excitation of the torsional vibration and the fundamental C-O stretch vibration indicate a strong torsion-vibration coupling.

Ionizing and non-ionizing radiations

International Nuclear Information System (INIS)

1994-01-01

The monograph is a small manual to get a knowledge of ionizing and non-ionizing radiations. The main chapters are: - Electromagnetic radiations - Ionizing and non-ionizing radiations - Non-ionizing electromagnetic radiations - Ionizing electromagnetic radiation - Other ionizing radiations - Ionizing radiation effects - The Nuclear Safety Conseil

Electron-impact-ionization dynamics of S F6

Science.gov (United States)

Bull, James N.; Lee, Jason W. L.; Vallance, Claire

2017-10-01

A detailed understanding of the dissociative electron ionization dynamics of S F6 is important in the modeling and tuning of dry-etching plasmas used in the semiconductor manufacture industry. This paper reports a crossed-beam electron ionization velocity-map imaging study on the dissociative ionization of cold S F6 molecules, providing complete, unbiased kinetic energy distributions for all significant product ions. Analysis of these distributions suggests that fragmentation following single ionization proceeds via formation of S F5 + or S F3 + ions that then dissociate in a statistical manner through loss of F atoms or F2, until most internal energy has been liberated. Similarly, formation of stable dications is consistent with initial formation of S F4 2 + ions, which then dissociate on a longer time scale. These data allow a comparison between electron ionization and photoionization dynamics, revealing similar dynamical behavior. In parallel with the ion kinetic energy distributions, the velocity-map imaging approach provides a set of partial ionization cross sections for all detected ionic fragments over an electron energy range of 50-100 eV, providing partial cross sections for S2 +, and enables the cross sections for S F4 2 + from S F+ to be resolved.

Testing an excited-state energy density functional and the associated potential with the ionization potential theorem

International Nuclear Information System (INIS)

Hemanadhan, M; Shamim, Md; Harbola, Manoj K

2014-01-01

The modified local spin density (MLSD) functional and the related local potential for excited states is tested by employing the ionization potential theorem. The exchange functional for an excited state is constructed by splitting k-space. Since its functional derivative cannot be obtained easily, the corresponding exchange potential is given by an analogy to its ground-state counterpart. Further, to calculate the highest occupied orbital energy ϵ max accurately, the potential is corrected for its asymptotic behaviour by employing the van Leeuwen and Baerends (LB) correction to it. ϵ max so obtained is then compared with the ΔSCF ionization energy calculated using the MLSD functional with self-interaction correction for the orbitals involved in the transition. It is shown that the two match quite accurately. The match becomes even better by tuning the LB correction with respect to a parameter in it. (paper)

Hyperthermal surface ionization mass spectrometry of organic molecules: monoterpenes

International Nuclear Information System (INIS)

Kishi, Hiroshi; Fujii, Toshihiro.

1997-01-01

This paper describes an experimental study on the influence of kinetic energy of fast monoterpene molecules on the surface ionization efficiency and on the mass spectral patterns, using rhenium oxide (ReO 2 ) surface. Molecular kinetic energy, given to the molecules through the acceleration in the seeded supersonic molecular beam, ranged from 1 to 10 eV. Hyperthermal surface ionization mass spectra (HSIMS) were taken for various incident kinetic energies and surface temperatures. The observed mass spectra were interpreted in a purely empirical way, by means of evidence from the previous investigations, and they were compared with conventional EI techniques and with the thermal energy surface ionization technique (SIOMS; Surface Ionization Organic Mass Spectrometry). Ionization efficiency (β) was also studied. Under hyperthermal surface ionization (HSI) conditions, many kinds of fragment ions, including quite abundant odd electron ions (OE +· ) are observed. HSIMS patterns of monoterpenes are different among 6-isomers, contrary to those of SIOMS and EIMS, where very similar patterns for isomers are observed. HSIMS patterns are strongly dependent on the molecular kinetic energies. The surface temperature does not affect much the spectral patterns, but it controls the total amount of ion formation. We conclude from these mass spectral findings, HSI-mechanism contains an impulsive process of ion formation, followed by the fragmentation process as a results of the internal energies acquired through the collision processes. (author)

Multiphoton ionization as a probe of molecular photofragmentation: statistical and dynamical energy partitioning in the multiphoton dissociation of nitromethane

International Nuclear Information System (INIS)

Rockney, B.H.

1982-01-01

Multiphoton ionization (MPI) appears in its first use as a probe of laser-induced photofragmentation. Specifically, MPI here reveals the internal and translational energy content of the nascent fragments from the infrared multiphoton dissociation (MPD) of nitromethane (CH 3 NO 2 ). The apparatus for this work consists of a pulsed supersonic molecular beam crossed by two pulsed and focused lasers - a CO 2 laser to induce collision-free unimolecular dissociation of CH 3 NO 2 , and a tunable dye laser following immediately to ionize selectively one of the pair of dissociation fragments for detection by a mass spectrometer and particle multiplier. A computer simulation of each fragment's MPI spectrum, a series of four photon resonances to members of the npsigma/sub u/ Rydberg state of NO 2 and three photon resonances to two vibrational members of the #betta# 1 Rydberg state of CH 3 , aids in determining the fragment's internal energy content. The dye laser is delayed and its focus is traced through a small quarter circle centered at the focus of the CO 2 laser. The flight times of the fragments from the point of dissociation and their laboratory scattering angular distributions at fixed ionizing laser wavelength provide their center of mass recoil velocity distributions. The energy deposited in the fragments evidences a striking mixture of statistical and dynamical energy partitioning. The statistical RRKM theory of unimolecular decomposition accurately predicts the amount of internal energy found in the fragments

Adiabatic analysis of collisions. III. Remarks on the spin model

International Nuclear Information System (INIS)

Fano, U.

1979-01-01

Analysis of a spin-rotation model illustrates how transitions between adiabatic channel states stem from the second, rather than from the first, rate of change of these states, provided that appropriate identification of channels and scaling of the independent variable are used. These remarks, like the earlier development of a post-adiabatic approach, aim at elucidating the surprising success of approximate separation of variables in the treatment of complex mechanical systems

Amorphous silicon ionizing particle detectors

Science.gov (United States)

Street, Robert A.; Mendez, Victor P.; Kaplan, Selig N.

1988-01-01

Amorphous silicon ionizing particle detectors having a hydrogenated amorphous silicon (a--Si:H) thin film deposited via plasma assisted chemical vapor deposition techniques are utilized to detect the presence, position and counting of high energy ionizing particles, such as electrons, x-rays, alpha particles, beta particles and gamma radiation.

An adiabatic spectroscopic investigation of the CsRb system in ground and numerous excited states

Science.gov (United States)

Souissi, Hanen; Jellali, Soulef; Maha, Chaieb; Habli, Héla; Oujia, Brahim; Gadéa, Florent Xavier

2017-10-01

Via ab-initio approximations, we investigate the electronic and structural features of the CsRb molecule. Adiabatic potential energy curves of 261,3Σ+, 181,3Π and 61,3Δ electronic states with their derived spectroscopic constants as well as vibrational levels spacing have been carried out and well explained. Our approach is founded on an Effective Core Potential (ECP) describing the valence electrons of the system. Using a large Gaussian basis set, the full valence Configuration Interaction can be applied easily on the two-effective valence electrons of the CsRb system. Furthermore, a detailed analysis of the electric dipolar properties has been made through the investigation of both permanent and transition dipole moments (PDM and TDM). It is significant that the ionic character connected with electron transfer that is linked to Cs+ Rb- state has been clearly illustrated in the adiabatic permanent dipole moment.

Communication: On the competition between adiabatic and nonadiabatic dynamics in vibrationally mediated ammonia photodissociation in its A band

Energy Technology Data Exchange (ETDEWEB)

Xie, Changjian [Key Laboratory of Mesoscopic Chemistry, School of Chemistry and Chemical Engineering, Institute of Theoretical and Computational Chemistry, Nanjing University, Nanjing 210093 (China); Zhu, Xiaolei; Yarkony, David R., E-mail: jianyi.m@gmail.com, E-mail: yarkony@jhu.edu, E-mail: dqxie@nju.edu.cn, E-mail: hguo@unm.edu [Department of Chemistry, Johns Hopkins University, Baltimore, Maryland 21218 (United States); Ma, Jianyi, E-mail: jianyi.m@gmail.com, E-mail: yarkony@jhu.edu, E-mail: dqxie@nju.edu.cn, E-mail: hguo@unm.edu [Institute of Atomic and Molecular Physics, Sichuan University, Chengdu, Sichuan 610065 (China); Xie, Daiqian, E-mail: jianyi.m@gmail.com, E-mail: yarkony@jhu.edu, E-mail: dqxie@nju.edu.cn, E-mail: hguo@unm.edu [Key Laboratory of Mesoscopic Chemistry, School of Chemistry and Chemical Engineering, Institute of Theoretical and Computational Chemistry, Nanjing University, Nanjing 210093 (China); Synergetic Innovation Center of Quantum Information and Quantum Physics, University of Science and Technology of China, Hefei, Anhui 230026 (China); Guo, Hua, E-mail: jianyi.m@gmail.com, E-mail: yarkony@jhu.edu, E-mail: dqxie@nju.edu.cn, E-mail: hguo@unm.edu [Department of Chemistry and Chemical Biology, University of New Mexico, Albuquerque, New Mexico 87131 (United States)

2015-03-07

Non-adiabatic processes play an important role in photochemistry, but the mechanism for conversion of electronic energy to chemical energy is still poorly understood. To explore the possibility of vibrational control of non-adiabatic dynamics in a prototypical photoreaction, namely, the A-band photodissociation of NH{sub 3}(X{sup ~1}A{sub 1}), full-dimensional state-to-state quantum dynamics of symmetric or antisymmetric stretch excited NH{sub 3}(X{sup ~1}A{sub 1}) is investigated on recently developed coupled diabatic potential energy surfaces. The experimentally observed H atom kinetic energy distributions are reproduced. However, contrary to previous inferences, the NH{sub 2}(A{sup ~2}A{sub 1})/NH{sub 2}(X{sup ~2}B{sub 1}) branching ratio is found to be small regardless of the initial preparation of NH{sub 3}(X{sup ~1}A{sub 1}), while the internal state distribution of the preeminent fragment, NH{sub 2}(X{sup ~2}B{sub 1}), is found to depend strongly on the initial vibrational excitation of NH{sub 3}(X{sup ~1}A{sub 1}). The slow H atoms in photodissociation mediated by the antisymmetric stretch fundamental state are due to energy sequestered in the internally excited NH{sub 2}(X{sup ~2}B{sub 1}) fragment, rather than in NH{sub 2}(A{sup ~2}A{sub 1}) as previously proposed. The high internal excitation of the NH{sub 2}(X{sup ~2}B{sub 1}) fragment is attributed to the torques exerted on the molecule as it passes through the conical intersection seam to the ground electronic state of NH{sub 3}. Thus in this system, contrary to previous assertions, the control of electronic state branching by selective excitation of ground state vibrational modes is concluded to be ineffective. The juxtaposition of precise quantum mechanical results with complementary results based on quasi-classical surface hopping trajectories provides significant insights into the non-adiabatic process.

Geometry of quantal adiabatic evolution driven by a non-Hermitian Hamiltonian

International Nuclear Information System (INIS)

Wu Zhaoyan; Yu Ting; Zhou Hongwei

1994-01-01

It is shown by using a counter example, which is exactly solvable, that the quantal adiabatic theorem does not generally hold for a non-Hermitian driving Hamiltonian, even if it varies extremely slowly. The condition for the quantal adiabatic theorem to hold for non-Hermitian driving Hamiltonians is given. The adiabatic evolutions driven by a non-Hermitian Hamiltonian provide examples of a new geometric structure, that is the vector bundle in which the inner product of two parallelly transported vectors generally changes. A new geometric concept, the attenuation tensor, is naturally introduced to describe the decay or flourish of the open quantum system. It is constructed in terms of the spectral projector of the Hamiltonian. (orig.)

Adiabatic-connection fluctuation-dissipation DFT for the structural properties of solids—The renormalized ALDA and electron gas kernels

Energy Technology Data Exchange (ETDEWEB)

Patrick, Christopher E., E-mail: chripa@fysik.dtu.dk; Thygesen, Kristian S., E-mail: thygesen@fysik.dtu.dk [Center for Atomic-Scale Materials Design (CAMD), Department of Physics, Technical University of Denmark, DK—2800 Kongens Lyngby (Denmark)

2015-09-14

We present calculations of the correlation energies of crystalline solids and isolated systems within the adiabatic-connection fluctuation-dissipation formulation of density-functional theory. We perform a quantitative comparison of a set of model exchange-correlation kernels originally derived for the homogeneous electron gas (HEG), including the recently introduced renormalized adiabatic local-density approximation (rALDA) and also kernels which (a) satisfy known exact limits of the HEG, (b) carry a frequency dependence, or (c) display a 1/k{sup 2} divergence for small wavevectors. After generalizing the kernels to inhomogeneous systems through a reciprocal-space averaging procedure, we calculate the lattice constants and bulk moduli of a test set of 10 solids consisting of tetrahedrally bonded semiconductors (C, Si, SiC), ionic compounds (MgO, LiCl, LiF), and metals (Al, Na, Cu, Pd). We also consider the atomization energy of the H{sub 2} molecule. We compare the results calculated with different kernels to those obtained from the random-phase approximation (RPA) and to experimental measurements. We demonstrate that the model kernels correct the RPA’s tendency to overestimate the magnitude of the correlation energy whilst maintaining a high-accuracy description of structural properties.

Adiabatic flame temperature of sodium combustion and sodium-water reaction

International Nuclear Information System (INIS)

Okano, Y.; Yamaguchi, A.

2001-01-01

In this paper, background information of sodium fire and sodium-water reaction accidents of LMFBR (liquid metal fast breeder reactor) is mentioned at first. Next, numerical analysis method of GENESYS is described in detail. Next, adiabatic flame temperature and composition of sodium combustion are analyzed, and affect of reactant composition, such oxygen and moisture, is discussed. Finally, adiabatic reaction zone temperature and composition of sodium-water reaction are calculated, and affects of reactant composition, sodium vaporization, and pressure are stated. Chemical equilibrium calculation program for generic chemical system (GENESYS) is developed in this study for the research on adiabatic flame temperature of sodium combustion and adiabatic reaction zone temperature of sodium-water reaction. The maximum flame temperature of the sodium combustion is 1,950 K at the standard atmospheric condition, and is not affected by the existence of moisture. The main reaction product is Na 2 O (l) , and in combustion in moist air, with NaOH (g) . The maximum reaction zone temperature of the sodium-water reaction is 1,600 K, and increases with the system pressure. The main products are NaOH (g) , NaOH (l) and H2 (g) . Sodium evaporation should be considered in the cases of sodium-rich and high pressure above 10 bar

Theoretical study of γ-aminobutyric acid conformers: Intramolecular interactions and ionization energies

Science.gov (United States)

Wang, Ke-Dong; Wang, Mei-Ting; Meng, Ju

2014-10-01

Allowing for all combinations of internal single-bond rotamers, 1,296 unique trial structures of γ-Aminobutyric acid (GABA) are obtained. All of these structures are optimized at the M06-2X level of theory and a total of 68 local minimal conformers are found. The nine low-lying conformers are used for further studies. According to the calculated relative Gibbs free energies at M06-2X level of theory, we find that the dispersion is important for the relative energy of GABA. The intramolecular hydrogen bonds and hyperconjugative interaction and their effects on the conformational stability are studied. The results show that both of them have great influence on the conformers. The vertical ionization energies (VIE) are calculated and match the experimental data well. The results show that the neutral GABA in the gas phase is a multi-conformer system and at least four conformations exist.

Adiabatic Theorem for Quantum Spin Systems

Science.gov (United States)

Bachmann, S.; De Roeck, W.; Fraas, M.

2017-08-01

The first proof of the quantum adiabatic theorem was given as early as 1928. Today, this theorem is increasingly applied in a many-body context, e.g., in quantum annealing and in studies of topological properties of matter. In this setup, the rate of variation ɛ of local terms is indeed small compared to the gap, but the rate of variation of the total, extensive Hamiltonian, is not. Therefore, applications to many-body systems are not covered by the proofs and arguments in the literature. In this Letter, we prove a version of the adiabatic theorem for gapped ground states of interacting quantum spin systems, under assumptions that remain valid in the thermodynamic limit. As an application, we give a mathematical proof of Kubo's linear response formula for a broad class of gapped interacting systems. We predict that the density of nonadiabatic excitations is exponentially small in the driving rate and the scaling of the exponent depends on the dimension.

On the ionization of interstellar magnesium

International Nuclear Information System (INIS)

Gurzadyan, G.A.

1977-01-01

It has been shown that two concentric ionization zones of interstellar magnesium must exist around each star: internal, with a radius coinciding with that of the zone of hydrogen ionization Ssub(H); and external, with a radius greater than Ssub(H), by one order. Unlike interstellar hydrogen, interstellar magnesium is ionized throughout the Galaxy. It also transpires that the ionizing radiation of ordinary hot stars cannot provide for the observed high degree of ionization of interstellar magnesium. The discrepance can be eliminated by assuming the existence of circumstellar clouds or additional ionization sources of interstellar magnesium (X-ray background radiation, high-energy particles, etc.). Stars of the B5 and BO class play the main role in the formation of ionization zones of interstellar magnesium; the contribution of O class stars is negligible (<1%). (Auth.)

Adiabatic invariance with first integrals of motion

Science.gov (United States)

Adib, Artur B.

2002-10-01

The construction of a microthermodynamic formalism for isolated systems based on the concept of adiabatic invariance is an old but seldom appreciated effort in the literature, dating back at least to P. Hertz [Ann. Phys. (Leipzig) 33, 225 (1910)]. An apparently independent extension of such formalism for systems bearing additional first integrals of motion was recently proposed by Hans H. Rugh [Phys. Rev. E 64, 055101 (2001)], establishing the concept of adiabatic invariance even in such singular cases. After some remarks in connection with the formalism pioneered by Hertz, it will be suggested that such an extension can incidentally explain the success of a dynamical method for computing the entropy of classical interacting fluids, at least in some potential applications where the presence of additional first integrals cannot be ignored.

Adiabatic compression of elongated field-reversed configurations

Energy Technology Data Exchange (ETDEWEB)

Spencer, R.L.; Tuszewski, M.; Linford, R.K.

1982-01-01

The simplest model of plasma dynamics is the adiabatic model. In this model the plasma is assumed to be in MHD equilibrium at each instant of time. The equilibria are connected by the requirement that they all have the same entropy per unit flux, i.e., the equilibria form a sequence generated by adiabatic changes. The standard way of computing such a sequence of equilibria was developed by Grad, but its practical use requires a fairly complicated code. It would be helpful if approximately the same results could be gotten either with a much simpler code or by analytical techniques. In Sec. II a one-dimensional equilibrium code is described and its results are checked against a two-dimensional equilibrium code; in Sec. III an even simpler analytic calculation is presented.

RFDR with Adiabatic Inversion Pulses: Application to Internuclear Distance Measurements

International Nuclear Information System (INIS)

Leppert, Joerg; Ohlenschlaeger, Oliver; Goerlach, Matthias; Ramachandran, Ramadurai

2004-01-01

In the context of the structural characterisation of biomolecular systems via MAS solid state NMR, the potential utility of homonuclear dipolar recoupling with adiabatic inversion pulses has been assessed via numerical simulations and experimental measurements. The results obtained suggest that it is possible to obtain reliable estimates of internuclear distances via an analysis of the initial cross-peak intensity buildup curves generated from two-dimensional adiabatic inversion pulse driven longitudinal magnetisation exchange experiments

Adiabatic Rearrangement of Hollow PV Towers

Directory of Open Access Journals (Sweden)

Eric A Hendricks

2010-10-01

Full Text Available Diabatic heating from deep moist convection in the hurricane eyewall produces a towering annular structure of elevated potential vorticity (PV. This structure has been referred to as a hollow PV tower. The sign reversal of the radial gradient of PV satisfies the Charney-Stern necessary condition for combined barotropic-baroclinic instability. For thin enough annular structures, small perturbations grow exponentially, extract energy from the mean flow, and lead to hollow tower breakdown, with significant vortex structural and intensity change. The three-dimensional adiabatic rearrangements of two prototypical hurricane-like hollow PV towers (one thick and one thin are examined in an idealized framework. For both hollow towers, dynamic instability causes air parcels with high PV to be mixed into the eye preferentially at lower levels, where unstable PV wave growth rates are the largest. Little or no mixing is found to occur at upper levels. The mixing at lower and middle levels is most rapid for the breakdown of the thin hollow tower, consistent with previous barotropic results. For both hollow towers, this advective rearrangement of PV affects the tropical cyclone structure and intensity in a number of ways. First, the minimum central pressure and maximum azimuthal mean velocity simultaneously decrease, consistent with previous barotropic results. Secondly, isosurfaces of absolute angular momentum preferentially shift inward at low levels, implying an adiabatic mechanism by which hurricane eyewall tilt can form. Thirdly, a PV bridge, similar to that previously found in full-physics hurricane simulations, develops as a result of mixing at the isentropic levels where unstable PV waves grow most rapidly. Finally, the balanced mass field resulting from the PV rearrangement is warmer in the eye between 900 and 700 hPa. The location of this warming is consistent with observed warm anomalies in the eye, indicating that in certain instances the hurricane

Adiabatic out-of-equilibrium solutions to the Boltzmann equation in warm inflation

Science.gov (United States)

Bastero-Gil, Mar; Berera, Arjun; Ramos, Rudnei O.; Rosa, João G.

2018-02-01

We show that, in warm inflation, the nearly constant Hubble rate and temperature lead to an adiabatic evolution of the number density of particles interacting with the thermal bath, even if thermal equilibrium cannot be maintained. In this case, the number density is suppressed compared to the equilibrium value but the associated phase-space distribution retains approximately an equilibrium form, with a smaller amplitude and a slightly smaller effective temperature. As an application, we explicitly construct a baryogenesis mechanism during warm inflation based on the out-of-equilibrium decay of particles in such an adiabatically evolving state. We show that this generically leads to small baryon isocurvature perturbations, within the bounds set by the Planck satellite. These are correlated with the main adiabatic curvature perturbations but exhibit a distinct spectral index, which may constitute a smoking gun for baryogenesis during warm inflation. Finally, we discuss the prospects for other applications of adiabatically evolving out-of-equilibrium states.

Adiabatic effective action for vortices in neutral and charged superfluids

International Nuclear Information System (INIS)

Hatsuda, M.; Sato, M.; Yahikozawa, S.; Hatsuda, T.

1996-01-01

Adiabatic effective action for vortices in neutral and charged superfluids at zero temperature are calculated using the topological Landau-Ginzburg theory recently proposed by Hatsuda, Yahikozawa, Ao and Thouless, and vortex dynamics are examined. The Berry phase term arising in the effective action naturally yields the Magnus force in both neutral and charged superfluids. It is shown that in neutral superfluid there is only one degree of freedom, namely the center of vorticities, and the vortex energy is proportional to the sum of all vorticities so that it is finite only for the vanishing total vorticity of the system. On the other hand the effective mass and the vortex energy for a vortex in charged superfluids are defined individually as expected. The effects of the vortex core on these quantities are also estimated. The possible depinning scenario which is governed by the Magnus force and the inertial mass is also discussed

Determination of ionization energies of CnN (n=4-12): Vacuum-ultraviolet (VUV) photoionization experiments and theoretical calculations

International Nuclear Information System (INIS)

Kostko, Oleg; Zhou, Jia; Sun, Bian Jian; Lie, Jie Shiuan; Chang, Agnes H.H.; Kaiser, Ralf I.; Ahmed, Musahid

2010-01-01

Results from single photon vacuum ultraviolet photoionization of astrophysically relevant CnN clusters, n = 4 - 12, in the photon energy range of 8.0 eV to 12.8 eV are presented. The experimental photoionization efficiency curves, combined with electronic structure calculations, provide improved ionization energies of the CnN species. A search through numerous nitrogen-terminated CnN isomers for n=4-9 indicates that the linear isomer has the lowest energy, and therefore should be the most abundant isomer in the molecular beam. Comparison with calculated results also shed light on the energetics of the linear CnN clusters, particularly in the trends of the even-carbon and the odd-carbon series. These results can help guide the search of potential astronomical observations of these neutral molecules together with their cations in highly ionized regions or regions with a high UV/VUV photon flux (ranging from the visible to VUV with flux maxima in the Lyman-a region) in the interstellar medium.

Associative ionization of neon and helium atoms by collisions of excited helium (31p) atoms of thermal energies

International Nuclear Information System (INIS)

Runge, Serge.

1980-12-01

The relative cross-sections of ionizing collisions between He + He and He + Ne atoms, have been studied, the helium being excited in a state (3 1 p) by a laser beam. The results obtained made it possible (a) to reveal in a direct manner the production of molecular ions He 2 + and He Ne + and (b) to determine the relative change in the associative ionizing cross-section in the area (0.035 - 0.17 eV) in the He (3 1 P) + Ne collision, despite the very short life of the He (3 1 P) excited state (1.7 ns). The production of He 2 + ions from an He (3 1 P) + He collision sets an upper limit to the appearance potential of these ions. The experimental study of the associative ionization in the He (3 1 P) + Ne system made it possible to extend the utilization of the GAMMA(R) self ionization model, already tested for the metastable states, to the radiative states. The GAMMA(R) model seems well suited for the description of collisions of the A excited + B type, where the excitation energy of A is greater than the ionization potential of B [fr

Adiabatic translation factors in slow ion-atom collisions

International Nuclear Information System (INIS)

Vaaben, J.; Taulbjerg, K.

1981-01-01

The general properties of translation factors in slow atomic collisions are discussed. It is emphasised that an acceptable form of translation factors must be conceptually consistent with the basic underlying assumption of the molecular model; i.e. translation factors must relax adiabatically at intermediate and small internuclear separations. A simple physical argument is applied to derive a general parameter-free expression for the translation factor pertinent to an electron in a two-centre Coulomb field. Within the present approach the adiabatic translation factor is considered to be a property of the two-centre field independently of the molecular state under consideration. The generalisation to many-electron systems is therefore readily made. (author)

Structure of electron tracks in water. 2. Distribution of primary ionizations and excitations in water radiolysis

International Nuclear Information System (INIS)

Pimblott, S.M.; Mozumder, A.

1991-01-01

A procedure for the calculation of entity-specific ionization and excitation probabilities for water radiolysis at low linear energy transfer (LET) has been developed. The technique pays due attention to the effects of the ionization threshold and the energy dependence of the ionization efficiency. The numbers of primary ionizations and excitations are not directly proportional to the spur energy. At a given spur energy, ionization follows a binomial distribution subject to an energetically possible maximum. The excitation distribution for a spur of given energy and with a given number of ionizations is given by a geometric series. The occurrence probabilities depend upon the cross sections of ionization, excitation, and other inferior processes. Following the low-LET radiolysis of liquid water the most probable spurs contain one ionization, two ionizations, or one ionization and one excitation, while in water vapor they contain either one ionization or one excitation. In liquid water the most probable outcomes for spurs corresponding to the most probable energy loss (22 eV) and to the mean energy loss (38 eV) are one ionization and one excitation, and two ionizations and one excitation, respectively. In the vapor, the most probable energy loss is 14 eV which results in one ionization or one excitation and the mean energy loss is 34 eV for which the spur of maximum probability contains one ionization and two excitations. The total calculated primary yields for low-LET radiolysis are in approximate agreement with experiment in both phases

Optimal control of the power adiabatic stroke of an optomechanical heat engine.

Science.gov (United States)

Bathaee, M; Bahrampour, A R

2016-08-01

We consider the power adiabatic stroke of the Otto optomechanical heat engine introduced in Phys. Rev. Lett. 112, 150602 (2014)PRLTAO0031-900710.1103/PhysRevLett.112.150602. We derive the maximum extractable work of both optomechanical normal modes in the minimum time while the system experiences quantum friction effects. We show that the total work done by the system in the power adiabatic stroke is optimized by a bang-bang control. The time duration of the power adiabatic stroke is of the order of the inverse of the effective optomechanical-coupling coefficient. The optimal phase-space trajectory of the Otto cycle for both optomechanical normal modes is also obtained.

Improved forced impulse method calculations of single and double ionization of helium by collision with high-energy protons and antiprotons

International Nuclear Information System (INIS)

Ford, A.L.; Reading, J.F.

1994-01-01

Our previous forced impulse method calculations of single and double ionization of helium by protons and antiprotons have been improved by including d orbitals in the target centre basis. The calculations are in good agreement with experimental measurements of the ratio R of double to single ionization, without the 1.35 scaling factor we applied to our previous results. We also compare the separate single and double ionization cross sections to experiment and find good agreement. Experimental cross sections differential in projectile scattering angle at large angle (greater than 2.5 mrad) are compared to our impact parameter dependent ionization probabilities at small impact parameter, for the double to single ratio. The agreement is good, except at the lowest energy we have considered, 0.3 eV. (Author)

Improving hot-spot pressure for ignition in high-adiabat Inertial Confinement Fusion implosion

OpenAIRE

Kang, Dongguo; Zhu, Shaoping; Pei, Wenbing; Zou, Shiyang; Zheng, Wudi; Gu, Jianfa; Dai, Zhensheng

2017-01-01

A novel capsule target design to improve the hot-spot pressure in the high-adiabat implosion for inertial confinement fusion is proposed, where a layer of comparatively high-density material is used as a pusher between the fuel and the ablator. This design is based on our theoretical finding of the stagnation scaling laws, which indicates that the hot spot pressure can be improved by increasing the kinetic energy density $\\rho_d V_{imp}^2/2$ ($\\rho_d$ is the shell density when the maximum she...

Quantum trajectories for time-dependent adiabatic master equations

Science.gov (United States)

Yip, Ka Wa; Albash, Tameem; Lidar, Daniel A.

2018-02-01

We describe a quantum trajectories technique for the unraveling of the quantum adiabatic master equation in Lindblad form. By evolving a complex state vector of dimension N instead of a complex density matrix of dimension N2, simulations of larger system sizes become feasible. The cost of running many trajectories, which is required to recover the master equation evolution, can be minimized by running the trajectories in parallel, making this method suitable for high performance computing clusters. In general, the trajectories method can provide up to a factor N advantage over directly solving the master equation. In special cases where only the expectation values of certain observables are desired, an advantage of up to a factor N2 is possible. We test the method by demonstrating agreement with direct solution of the quantum adiabatic master equation for 8-qubit quantum annealing examples. We also apply the quantum trajectories method to a 16-qubit example originally introduced to demonstrate the role of tunneling in quantum annealing, which is significantly more time consuming to solve directly using the master equation. The quantum trajectories method provides insight into individual quantum jump trajectories and their statistics, thus shedding light on open system quantum adiabatic evolution beyond the master equation.

Adiabatic theory of Wannier threshold laws and ionization cross sections

International Nuclear Information System (INIS)

Macek, J.H.; Ovchinnikov, S.Yu.

1994-01-01

The Wannier threshold law for three-particle fragmentation is reviewed. By integrating the Schroedinger equation along a path where the reaction coordinate R is complex, anharmonic corrections to the simple power law are obtained. These corrections are found to be non-analytic in the energy E, in contrast to the expected analytic dependence upon E

The identification and rejection of energy-degraded events in gas ionization counters

International Nuclear Information System (INIS)

Ophel, T.R.; Fifield, L.K.; Catford, W.N.; Orr, N.A.; Woods, C.L.; Harding, A.; Clarkson, G.P.

1988-05-01

A common feature of the measurement of charged particles with gas detectors is the presence of a small fraction of events (∼0.1-0.2%) for which significantly less than total ionization is recorded. These events cause an energy tailing that can seriously impair the identification functions of gas detectors used either to instrument the focal plane of magnetic spectrometers or for accelerator mass spectrometry. The anomalous, energy-degraded events are shown to arise both from reactions between the incident ions and the detector gas and, more importantly from the scattering of ions by the gas. It is demonstrated that an appropriate detector configuration provides the means to reject most of the anomalous events, allowing the measurement of very low cross-section reactions without significant background interference from such events

Penning ionization processes studied by electron spectroscopy

International Nuclear Information System (INIS)

Yencha, A.J.

1978-01-01

The technique of measuring the kinetic energy of electrons ejected from atomic or molecular species as a result of collisional energy transfer between a metastable excited rare gas atom and an atom or molecule is known as Penning ionization spectroscopy. Like the analogous photoionization process of photoelectron spectroscopy, a considerable amount of information has been gained about the ionization potentials of numerous molecular systems. It is, in fact, through the combined analyses of photoelectron and Penning electron spectra that affords a probe of the particle-particle interactions that occur in the Penning process. In this paper a short survey of the phenomenon of Penning ionization, as studied by electron spectroscopy, will be presented as it pertains to the ionization processes of simple molecules by metastable excited atoms. (author)

Application of the First Law of Thermodynamics to the Adiabatic Processes of an Ideal Gas: Physics Teacher Candidates' Opinions

Science.gov (United States)

Gonen, S.

2014-01-01

The present study was carried out with 46 teacher candidates taking the course of "Thermodynamics" in the Department of Physics Teaching. The purpose of the study was to determine the difficulties that teacher candidates experienced in explaining the heat, work and internal energy relationships in the processes of adiabatic compression…

Non-adiabatic Excited State Molecule Dynamics Modeling of Photochemistry and Photophysics of Materials

Energy Technology Data Exchange (ETDEWEB)

Nelson, Tammie Renee [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Tretiak, Sergei [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

2017-01-06

Understanding and controlling excited state dynamics lies at the heart of all our efforts to design photoactive materials with desired functionality. This tailor-design approach has become the standard for many technological applications (e.g., solar energy harvesting) including the design of organic conjugated electronic materials with applications in photovoltaic and light-emitting devices. Over the years, our team has developed efficient LANL-based codes to model the relevant photophysical processes following photoexcitation (spatial energy transfer, excitation localization/delocalization, and/or charge separation). The developed approach allows the non-radiative relaxation to be followed on up to ~10 ps timescales for large realistic molecules (hundreds of atoms in size) in the realistic solvent dielectric environment. The Collective Electronic Oscillator (CEO) code is used to compute electronic excited states, and the Non-adiabatic Excited State Molecular Dynamics (NA-ESMD) code is used to follow the non-adiabatic dynamics on multiple coupled Born-Oppenheimer potential energy surfaces. Our preliminary NA-ESMD simulations have revealed key photoinduced mechanisms controlling competing interactions and relaxation pathways in complex materials, including organic conjugated polymer materials, and have provided a detailed understanding of photochemical products and intermediates and the internal conversion process during the initiation of energetic materials. This project will be using LANL-based CEO and NA-ESMD codes to model nonradiative relaxation in organic and energetic materials. The NA-ESMD and CEO codes belong to a class of electronic structure/quantum chemistry codes that require large memory, “long-queue-few-core” distribution of resources in order to make useful progress. The NA-ESMD simulations are trivially parallelizable requiring ~300 processors for up to one week runtime to reach a meaningful restart point.

Design of Low Power Multiplier with Energy Efficient Full Adder Using DPTAAL

Directory of Open Access Journals (Sweden)

A. Kishore Kumar

2013-01-01

Full Text Available Asynchronous adiabatic logic (AAL is a novel lowpower design technique which combines the energy saving benefits of asynchronous systems with adiabatic benefits. In this paper, energy efficient full adder using double pass transistor with asynchronous adiabatic logic (DPTAAL is used to design a low power multiplier. Asynchronous adiabatic circuits are very low power circuits to preserve energy for reuse, which reduces the amount of energy drawn directly from the power supply. In this work, an 8×8 multiplier using DPTAAL is designed and simulated, which exhibits low power and reliable logical operations. To improve the circuit performance at reduced voltage level, double pass transistor logic (DPL is introduced. The power results of the proposed multiplier design are compared with the conventional CMOS implementation. Simulation results show significant improvement in power for clock rates ranging from 100 MHz to 300 MHz.

Ionization of xenon by electrons: Partial cross sections for single, double, and triple ionization

International Nuclear Information System (INIS)

Mathur, D.; Badrinathan, C.

1987-01-01

High-sensitivity measurements of relative partial cross sections for single, double, and triple ionization of Xe by electron impact have been carried out in the energy region from threshold to 100 eV using a crossed-beam apparatus incorporating a quadrupole mass spectrometer. The weighted sum of the relative partial cross sections at 50 eV are normalized to the total ionization cross section of Rapp and Englander-Golden to yield absolute cross-section functions. Shapes of the partial cross sections for single and double ionization are difficult to account for within a single-particle picture. Comparison of the Xe + data with 4d partial photoionization cross-section measurements indicates the important role played by many-body effects in describing electron-impact ionization of high-Z atoms

Development of a model for dimethyl ether non-adiabatic reactors to improve methanol conversion

Energy Technology Data Exchange (ETDEWEB)

Nasrollahi, Fatemeh [University of Tehran, Tehran (Iran, Islamic Republic of); Bakeri, Gholamreza; Rahimnejad, Mostafa [Babol Noshirvani University of Technology, Babol (Iran, Islamic Republic of); Ismail, Ahmad Fauzi [Universiti Teknologi Malaysia, Skudai (Malaysia); Imanian, Mahdi [Mohajer Technical University, Isfahan (Iran, Islamic Republic of)

2013-10-15

The modeling of adiabatic and non-adiabatic reactors, using three cooling mediums in the shell side of a shell and tube reactor in cocurrent and countercurrent flow regimes has been conducted. The cooling mediums used in this research are saturated water and methanol feed gas to a reactor which is preheated in the shell side and a special type of oil. The results of adiabatic reactor modeling show good compatibility with the data received from a commercial plant. The results of non-adiabatic reactor modeling showed that more methanol conversion can be achieved in a lower length of reactor, even though in some cases the maximum temperature in the tube side of the reactor is more than the deactivation temperature of the catalyst.

Spin and Angular Momentum in Strong-Field Ionization

Science.gov (United States)

Trabert, D.; Hartung, A.; Eckart, S.; Trinter, F.; Kalinin, A.; Schöffler, M.; Schmidt, L. Ph. H.; Jahnke, T.; Kunitski, M.; Dörner, R.

2018-01-01

The spin polarization of electrons from multiphoton ionization of Xe by 395 nm circularly polarized laser pulses at 6 ×1013 W /cm2 has been measured. At this photon energy of 3.14 eV the above-threshold ionization peaks connected to Xe+ ions in the ground state (J =3 /2 , ionization potential Ip=12.1 eV ) and the first excited state (J =1 /2 , Ip=13.4 eV ) are clearly separated in the electron energy distribution. These two combs of above-threshold ionization peaks show opposite spin polarizations. The magnitude of the spin polarization is a factor of 2 higher for the J =1 /2 than for the J =3 /2 final ionic state. In turn, the data show that the ionization probability is strongly dependent on the sign of the magnetic quantum number.

Measurement of the first ionization potential of astatine by laser ionization spectroscopy

Science.gov (United States)

Rothe, S.; Andreyev, A. N.; Antalic, S.; Borschevsky, A.; Capponi, L.; Cocolios, T. E.; De Witte, H.; Eliav, E.; Fedorov, D. V.; Fedosseev, V. N.; Fink, D. A.; Fritzsche, S.; Ghys, L.; Huyse, M.; Imai, N.; Kaldor, U.; Kudryavtsev, Yuri; Köster, U.; Lane, J. F. W.; Lassen, J.; Liberati, V.; Lynch, K. M.; Marsh, B. A.; Nishio, K.; Pauwels, D.; Pershina, V.; Popescu, L.; Procter, T. J.; Radulov, D.; Raeder, S.; Rajabali, M. M.; Rapisarda, E.; Rossel, R. E.; Sandhu, K.; Seliverstov, M. D.; Sjödin, A. M.; Van den Bergh, P.; Van Duppen, P.; Venhart, M.; Wakabayashi, Y.; Wendt, K. D. A.

2013-01-01

The radioactive element astatine exists only in trace amounts in nature. Its properties can therefore only be explored by study of the minute quantities of artificially produced isotopes or by performing theoretical calculations. One of the most important properties influencing the chemical behaviour is the energy required to remove one electron from the valence shell, referred to as the ionization potential. Here we use laser spectroscopy to probe the optical spectrum of astatine near the ionization threshold. The observed series of Rydberg states enabled the first determination of the ionization potential of the astatine atom, 9.31751(8) eV. New ab initio calculations are performed to support the experimental result. The measured value serves as a benchmark for quantum chemistry calculations of the properties of astatine as well as for the theoretical prediction of the ionization potential of superheavy element 117, the heaviest homologue of astatine. PMID:23673620

Adiabatic theory of Wannier threshold laws and ionization cross sections

International Nuclear Information System (INIS)

Macek, J.H.; Ovchinnikov, S.Y.

1995-01-01

The Wannier threshold law for three-particle fragmentation is reviewed. By integrating the Schroedinger equation along a path where the reaction coordinate R is complex, anharmonic corrections to the simple power law are obtained. These corrections are found to be non-analytic in the energy E, in contrast to the expected analytic dependence upon E. copyright 1995 American Institute of Physics

The production of radioisotopes for medical applications by the adiabatic resonance crossing (ARC) technique

CERN Document Server

Froment, P; Delbar, T; Ryckewaert, G; Tilquin, I; Vervier, J

2002-01-01

The Transmutation by Adiabatic Resonance Crossing (TARC) technique has been proposed by Rubbia (Resonance enhanced neutron captures for element activation and waste transmutation, CERN-LHC/97-0040EET, 1997; TARC collaboration, Neutron-driven nuclear transmutation by adiabatic resonance crossing, CERN-SL-99-036EET, 1999; Abanades et al., Nucl. Instr. and Meth. A 487 (2002) 577) for element activation and waste transmutation. We investigate the possibility to use this technique for the industrial production of **9**9Mo and **1**2**5Xe by resonance neutron capture in **9**8Mo and **1**2**4Xe, respectively. Their daughters, i.e. **9**9**mTc and **1**2**5I, are widely used in medical applications. The high neutron flux needed is produced by bombarding a thick Be target with 65 or 75 MeV proton beam (few microamperes). This target is placed at the centre of a large cubic lead assembly (1.6 m side, purity: 99.999%). The neutrons are progressively slowed down by elastic scattering on lead, and their energies "scan" t...

Elastic, excitation, ionization and charge transfer cross sections of current interest in fusion energy research

Energy Technology Data Exchange (ETDEWEB)

Schultz, D.R.; Krstic, P.S. [Oak Ridge National Lab. TN (United States). Physics Div.

1997-01-01

Due to the present interest in modeling and diagnosing the edge and divertor plasma regions in magnetically confined fusion devices, we have sought to provide new calculations regarding the elastic, excitation, ionization, and charge transfer cross sections in collisions among relevant ions, neutrals, and isotopes in the low-to intermediate-energy regime. We summarize here some of our recent work. (author)

K-shell ionization and double-ionization of Au atoms with 1.33 MeV photons

International Nuclear Information System (INIS)

Belkacem, A.; Dauvergne, D.; Feinberg, B.; Ionescu, D.; Maddi, J.; Sorensen, A.H.

2000-01-01

At relativistic energies, the cross section for the atomic photoelectric effect drops off as does the cross section for liberating any bound electron through Compton scattering. However, when the photon energy exceeds twice the rest mass of the electron, ionization may proceed via electron-positron pair creation. We used 1.33 MeV photons impinging on Au thin foils to study double K-shell ionization and vacuum-assisted photoionization. The preliminary results yield a ratio of vacuum-assisted photoionization and pair creation of 2x10 -3 , a value that is substantially higher than the ratio of photo double ionization to single photoionization that is found to be 0.5-1x10 -4 . Because of the difficulties and large error bars associated with the small cross sections additional measurements are needed to minimize systematic errors

High-order multiphoton ionization photoelectron spectroscopy of NO

International Nuclear Information System (INIS)

Carman, H.S. Jr.; Compton, R.N.

1987-01-01

Photoelectron energy angular distributions of NO following three different high-order multiphoton ionization (MPI) schemes have been measured. The 3 + 3 resonantly enhanced multiphoton ionization (REMPI) via the A 2 Σ + (v=O) level yielded a distribution of electron energies corresponding to all accessible vibrational levels (v + =O-6) of the nascent ion. Angular distributions of electrons corresponding to v + =O and v + =3 were significantly different. The 3 + 2 REMPI via the A 2 Σ + (v=1) level produced only one low-energy electron peak (v + =1). Nonresonant MPI at 532 nm yielded a distribution of electron energies corresponding to both four- and five-photon ionization. Prominent peaks in the five-photon photoelectron spectrum (PES) suggest contributions from near-resonant states at the three-photon level. 4 refs., 3 figs

Accuracy of the adiabatic-impulse approximation for closed and open quantum systems

Science.gov (United States)

Tomka, Michael; Campos Venuti, Lorenzo; Zanardi, Paolo

2018-03-01

We study the adiabatic-impulse approximation (AIA) as a tool to approximate the time evolution of quantum states when driven through a region of small gap. Such small-gap regions are a common situation in adiabatic quantum computing and having reliable approximations is important in this context. The AIA originates from the Kibble-Zurek theory applied to continuous quantum phase transitions. The Kibble-Zurek mechanism was developed to predict the power-law scaling of the defect density across a continuous quantum phase transition. Instead, here we quantify the accuracy of the AIA via the trace norm distance with respect to the exact evolved state. As expected, we find that for short times or fast protocols, the AIA outperforms the simple adiabatic approximation. However, for large times or slow protocols, the situation is actually reversed and the AIA provides a worse approximation. Nevertheless, we found a variation of the AIA that can perform better than the adiabatic one. This counterintuitive modification consists in crossing the region of small gap twice. Our findings are illustrated by several examples of driven closed and open quantum systems.

Modeling strong-field above-threshold ionization

International Nuclear Information System (INIS)

Sundaram, B.; Armstrong, L. Jr.

1990-01-01

Above-threshold ionization (ATI) by intense, short-pulse lasers is studied numerically, using the stretched hydrogen atom Hamiltonian. Within our model system, we isolate several mechanisms that contribute to the ATI process. These mechanisms, which involve both excited bound states and continuum states, all invoke intermediate, off-energy shell transitions. In particular, the importance of excited bound states and off-energy shell bound-free processes to the ionization mechanism are shown to relate to a simple physical criterion. These processes point to importance differences in the interpretation of ionization characteristics for short pulses from that for longer pulses. Our analysis concludes that although components of ATI admit of simple, few-state modeling, the ultimate synthesis points to a highly complex mechanism

Theoretical investigation of the secondary ionization in krypton and xenon

International Nuclear Information System (INIS)

Saffo, M.E.

1986-01-01

A theoretical investigation of the secondary ionization processes that responsible for the pre-breakdown ionization current growth in a uniform electric field was studied in krypton and xenon gases, especially at low values of E/P 0 which is corresponding to high values of pressure, since there are a number of possible secondary ionization processes. It is interesting to carry out a quantitative analysis for the generalized secondary ionization coefficient obtained previously by many workers in terms of the production of excited states and their diffusion to the cathode and their destruction rate in the gas body. From energy balance equation for the electrons in the discharge, the fractional percentage energy losses of ionization, excitation, and elastic collisions to the total energy gained by the electron from the field has been calculated for krypton and xenon, as a result of such calculations; the conclusion drawn is that at low values of E/P 0 the main energy loss of electrons are in excited collision. Therefore, we are adopting a theoretical calculation for W/α under the assumption that the photo-electron emission at the cathode is the predominated secondary ionization process. 14 tabs.; 12 figs.; 64 refs