Giant titanium electron wave function in gallium oxide: A potential electron-nuclear spin system for quantum information processing

NASA Astrophysics Data System (ADS)

Mentink-Vigier, Frédéric; Binet, Laurent; Vignoles, Gerard; Gourier, Didier; Vezin, Hervé

2010-11-01

The hyperfine interactions of the unpaired electron with eight surrounding G69a and G71a nuclei in Ti-doped β-Ga2O3 were analyzed by electron paramagnetic resonance (EPR) and electron-nuclear double resonance (ENDOR) spectroscopies. They are dominated by strong isotropic hyperfine couplings due to a direct Fermi contact interaction with Ga nuclei in octahedral sites of rutile-type chains oriented along b axis, revealing a large anisotropic spatial extension of the electron wave function. Titanium in β-Ga2O3 is thus best described as a diffuse (Ti4+-e-) pair rather than as a localized Ti3+ . Both electron and G69a nuclear spin Rabi oscillations could be observed by pulsed EPR and pulsed ENDOR, respectively. The electron spin decoherence time is about 1μs (at 4 K) and an upper bound of 520μs (at 8 K) is estimated for the nuclear decoherence time. Thus, β-Ga2O3:Ti appears to be a potential spin-bus system for quantum information processing with a large nuclear spin quantum register.

Nonadiabatic Dynamics May Be Probed through Electronic Coherence in Time-Resolved Photoelectron Spectroscopy.

PubMed

Bennett, Kochise; Kowalewski, Markus; Mukamel, Shaul

2016-02-09

We present a hierarchy of Fermi golden rules (FGRs) that incorporate strongly coupled electronic/nuclear dynamics in time-resolved photoelectron spectroscopy (TRPES) signals at different levels of theory. Expansion in the joint electronic and nuclear eigenbasis yields the numerically most challenging exact FGR (eFGR). The quasistatic Fermi Golden Rule (qsFGR) neglects nuclear motion during the photoionization process but takes into account electronic coherences as well as populations initially present in the pumped matter as well as those generated internally by coupling between electronic surfaces. The standard semiclassical Fermi Golden Rule (scFGR) neglects the electronic coherences and the nuclear kinetic energy during the ionizing pulse altogether, yielding the classical Condon approximation. The coherence contributions depend on the phase-profile of the ionizing field, allowing coherent control of TRPES signals. The photoelectron spectrum from model systems is simulated using these three levels of theory. The eFGR and the qsFGR show temporal oscillations originating from the electronic or vibrational coherences generated as the nuclear wave packet traverses a conical intersection. These oscillations, which are missed by the scFGR, directly reveal the time-evolving splitting between electronic states of the neutral molecule in the curve-crossing regime.

Electronic Spin Storage in an Electrically Readable Nuclear Spin Memory with a Lifetime >100 Seconds

NASA Astrophysics Data System (ADS)

McCamey, D. R.; Van Tol, J.; Morley, G. W.; Boehme, C.

2010-12-01

Electron spins are strong candidates with which to implement spintronics because they are both mobile and able to be manipulated. The relatively short lifetimes of electron spins, however, present a problem for the long-term storage of spin information. We demonstrated an ensemble nuclear spin memory in phosphorous-doped silicon, which can be read out electrically and has a lifetime exceeding 100 seconds. The electronic spin information can be mapped onto and stored in the nuclear spin of the phosphorus donors, and the nuclear spins can then be repetitively read out electrically for time periods that exceed the electron spin lifetime. We discuss how this memory can be used in conjunction with other silicon spintronic devices.

Catalysis of Nuclear Reactions by Electrons

NASA Astrophysics Data System (ADS)

Lipoglavšek, Matej

2018-01-01

Electron screening enhances nuclear reaction cross sections at low energies. We studied the nuclear reaction 1H(19F,αγ)16O in inverse kinematics in different solid hydrogen targets. Measured resonance strengths differed by up to a factor of 10 in different targets. We also studied the 2H(p,γ)3He fusion reaction and observed electrons emitted as reaction products instead of γ rays. In this case electron screening greatly enhances internal conversion probability.

Toward an Experimental Quantum Chemistry: Exploring a New Energy Partitioning.

PubMed

Rahm, Martin; Hoffmann, Roald

2015-08-19

Following the work of L. C. Allen, this work begins by relating the central chemical concept of electronegativity with the average binding energy of electrons in a system. The average electron binding energy, χ̅, is in principle accessible from experiment, through photoelectron and X-ray spectroscopy. It can also be estimated theoretically. χ̅ has a rigorous and understandable connection to the total energy. That connection defines a new kind of energy decomposition scheme. The changing total energy in a reaction has three primary contributions to it: the average electron binding energy, the nuclear-nuclear repulsion, and multielectron interactions. This partitioning allows one to gain insight into the predominant factors behind a particular energetic preference. We can conclude whether an energy change in a transformation is favored or resisted by collective changes to the binding energy of electrons, the movement of nuclei, or multielectron interactions. For example, in the classical formation of H2 from atoms, orbital interactions dominate nearly canceling nuclear-nuclear repulsion and two-electron interactions. While in electron attachment to an H atom, the multielectron interactions drive the reaction. Looking at the balance of average electron binding energy, multielectron, and nuclear-nuclear contributions one can judge when more traditional electronegativity arguments can be justifiably invoked in the rationalization of a particular chemical event.

Multicomponent Density Functional Theory: Impact of Nuclear Quantum Effects on Proton Affinities and Geometries.

PubMed

Brorsen, Kurt R; Yang, Yang; Hammes-Schiffer, Sharon

2017-08-03

Nuclear quantum effects such as zero point energy play a critical role in computational chemistry and often are included as energetic corrections following geometry optimizations. The nuclear-electronic orbital (NEO) multicomponent density functional theory (DFT) method treats select nuclei, typically protons, quantum mechanically on the same level as the electrons. Electron-proton correlation is highly significant, and inadequate treatments lead to highly overlocalized nuclear densities. A recently developed electron-proton correlation functional, epc17, has been shown to provide accurate nuclear densities for molecular systems. Herein, the NEO-DFT/epc17 method is used to compute the proton affinities for a set of molecules and to examine the role of nuclear quantum effects on the equilibrium geometry of FHF - . The agreement of the computed results with experimental and benchmark values demonstrates the promise of this approach for including nuclear quantum effects in calculations of proton affinities, pK a 's, optimized geometries, and reaction paths.

Relations among several nuclear and electronic density functional reactivity indexes

NASA Astrophysics Data System (ADS)

Torrent-Sucarrat, Miquel; Luis, Josep M.; Duran, Miquel; Toro-Labbé, Alejandro; Solà, Miquel

2003-11-01

An expansion of the energy functional in terms of the total number of electrons and the normal coordinates within the canonical ensemble is presented. A comparison of this expansion with the expansion of the energy in terms of the total number of electrons and the external potential leads to new relations among common density functional reactivity descriptors. The formulas obtained provide explicit links between important quantities related to the chemical reactivity of a system. In particular, the relation between the nuclear and the electronic Fukui functions is recovered. The connection between the derivatives of the electronic energy and the nuclear repulsion energy with respect to the external potential offers a proof for the "Quantum Chemical le Chatelier Principle." Finally, the nuclear linear response function is defined and the relation of this function with the electronic linear response function is given.

Resonant polarization transfer from electron spins to nuclear spins-or to muon spins-in semiconductors

NASA Astrophysics Data System (ADS)

Henstra, A.; Wenckebach, W. Th.

1991-02-01

A review is given of newly developed pulsed Electron Spin Resonance (ESR) methods for dynamic polarization of nuclear spins. The application of two of these methods, Nuclear Orientation Via Electron spin Locking (NOVEL) and the Integrated Solid Effect (ISE), for the polarization of nuclear spins in semiconductors is discussed in more detail. It is proposed to use these methods to study the ESR spectrum of unpaired electrons in the vicinity of muons that are bound in a solid. Thus, ESR would be observed with a sensitivity which is enhanced by about ten orders of magnitude compared to conventional ESR.

Missile’s Guidance Head Anti-Nuclear Electromagnetic Pulse Reinforcement,

DTIC Science & Technology

1996-11-18

electromagnetic pulse bomb is one of them. This kind of nuclear bomb is mainly used to interfere or damage un-reinforced electric and electronic... electromagnetic pulse , the damaging mechanism of the nuclear electromagnetic pulse to the guidance head, and the response of electronic devices to...the nuclear electromagnetic pulse , at last introduces the guidance heads defense method to the nuclear electromagnetic pulse .

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lippincott, W. H.; McKinsey, D. N.; Nikkel, J. A.

Using a single-phase liquid argon detector with a signal yield of 4.85 photoelectrons per keV of electronic-equivalent recoil energy (keVee), we measure the scintillation time dependence of both electronic and nuclear recoils in liquid argon down to 5 keVee. We develop two methods of pulse shape discrimination to distinguish between electronic and nuclear recoils. Using one of these methods, we measure a background- and statistics-limited level of electronic recoil contamination to be 7.6x10{sup -7} between 52 and 110 keV of nuclear recoil energy (keVr) for a nuclear recoil acceptance of 50% with no nuclear recoil-like events above 62 keVr. Finally,more » we develop a maximum likelihood method of pulse shape discrimination based on the measured scintillation time dependence.« less

Lessons on electronic decoherence in molecules from exact modeling

NASA Astrophysics Data System (ADS)

Hu, Wenxiang; Gu, Bing; Franco, Ignacio

2018-04-01

Electronic decoherence processes in molecules and materials are usually thought and modeled via schemes for the system-bath evolution in which the bath is treated either implicitly or approximately. Here we present computations of the electronic decoherence dynamics of a model many-body molecular system described by the Su-Schrieffer-Heeger Hamiltonian with Hubbard electron-electron interactions using an exact method in which both electronic and nuclear degrees of freedom are taken into account explicitly and fully quantum mechanically. To represent the electron-nuclear Hamiltonian in matrix form and propagate the dynamics, the computations employ the Jordan-Wigner transformation for the fermionic creation/annihilation operators and the discrete variable representation for the nuclear operators. The simulations offer a standard for electronic decoherence that can be used to test approximations. They also provide a useful platform to answer fundamental questions about electronic decoherence that cannot be addressed through approximate or implicit schemes. Specifically, through simulations, we isolate basic mechanisms for electronic coherence loss and demonstrate that electronic decoherence is possible even for one-dimensional nuclear bath. Furthermore, we show that (i) decreasing the mass of the bath generally leads to faster electronic decoherence; (ii) electron-electron interactions strongly affect the electronic decoherence when the electron-nuclear dynamics is not pure-dephasing; (iii) classical bath models with initial conditions sampled from the Wigner distribution accurately capture the short-time electronic decoherence dynamics; (iv) model separable initial superpositions often used to understand decoherence after photoexcitation are only relevant in experiments that employ delta-like laser pulses to initiate the dynamics. These insights can be employed to interpret and properly model coherence phenomena in molecules.

77 FR 50726 - Software Requirement Specifications for Digital Computer Software and Complex Electronics Used in...

Federal Register 2010, 2011, 2012, 2013, 2014

2012-08-22

... Computer Software and Complex Electronics Used in Safety Systems of Nuclear Power Plants AGENCY: Nuclear...-1209, ``Software Requirement Specifications for Digital Computer Software and Complex Electronics used... Electronics Engineers (ANSI/IEEE) Standard 830-1998, ``IEEE Recommended Practice for Software Requirements...

On the fly quantum dynamics of electronic and nuclear wave packets

NASA Astrophysics Data System (ADS)

Komarova, Ksenia G.; Remacle, F.; Levine, R. D.

2018-05-01

Multielectronic states quantum dynamics on a grid is described in a manner motivated by on the fly classical trajectory computations. Non stationary electronic states are prepared by a few cycle laser pulse. The nuclei respond and begin moving. We solve the time dependent Schrödinger equation for the electronic and nuclear dynamics for excitation from the ground electronic state. A satisfactory accuracy is possible using a localized description on a discrete grid. This enables computing on the fly for both the nuclear and electronic dynamics including non-adiabatic couplings. Attosecond dynamics in LiH is used as an example.

Correlated electron-nuclear dynamics in above-threshold multiphoton ionization of asymmetric molecule.

PubMed

Wang, Zhuo; Li, Min; Zhou, Yueming; Lan, Pengfei; Lu, Peixiang

2017-02-20

The partition of the photon energy into the subsystems of molecules determines many photon-induced chemical and physical dynamics in laser-molecule interactions. The electron-nuclear energy sharing from multiphoton ionization of molecules has been used to uncover the correlated dynamics of the electron and fragments. However, most previous studies focus on symmetric molecules. Here we study the electron-nuclear energy sharing in strong-field photoionization of HeH 2+ by solving the one-dimensional time-dependent Schrödinger equation (TDSE). Compared with symmetric molecules, the joint electron-nuclear energy spectrum (JES) of HeH 2+ reveals an anomalous energy shift at certain nuclear energies, while it disappears at higher and lower nuclear energies. Through tracing the time evolution of the wavepacket of bound states, we identify that this energy shift originates from the joint effect of the Stark shift, associated with the permanent dipole, and the Autler-Townes effect due to the coupling of the 2pσ and 2sσ states in strong fields. The energy shift in the JES appears at certain nuclear distances only when both Stark effect and Autler-Townes effect play important roles. We further demonstrate that the electron-nuclei energy sharing can be controlled by varying laser intensity for asymmetric molecules, providing alternative approaches to manipulate photochemical reactions for more complex molecules.

Variational nonadiabatic dynamics in the moving crude adiabatic representation: Further merging of nuclear dynamics and electronic structure

NASA Astrophysics Data System (ADS)

Joubert-Doriol, Loïc; Izmaylov, Artur F.

2018-03-01

A new methodology of simulating nonadiabatic dynamics using frozen-width Gaussian wavepackets within the moving crude adiabatic representation with the on-the-fly evaluation of electronic structure is presented. The main feature of the new approach is the elimination of any global or local model representation of electronic potential energy surfaces; instead, the electron-nuclear interaction is treated explicitly using the Gaussian integration. As a result, the new scheme does not introduce any uncontrolled approximations. The employed variational principle ensures the energy conservation and leaves the number of electronic and nuclear basis functions as the only parameter determining the accuracy. To assess performance of the approach, a model with two electronic and two nuclear spacial degrees of freedom containing conical intersections between potential energy surfaces has been considered. Dynamical features associated with nonadiabatic transitions and nontrivial geometric (or Berry) phases were successfully reproduced within a limited basis expansion.

Amplification of Dynamic Nuclear Polarization at 200 GHz by Arbitrary Pulse Shaping of the Electron Spin Saturation Profile.

PubMed

Kaminker, Ilia; Han, Songi

2018-06-07

Dynamic nuclear polarization (DNP) takes center stage in nuclear magnetic resonance (NMR) as a tool to amplify its signal by orders of magnitude through the transfer of polarization from electron to nuclear spins. In contrast to modern NMR and electron paramagnetic resonance (EPR) that extensively rely on pulses for spin manipulation in the time domain, the current mainstream DNP technology exclusively relies on monochromatic continuous wave (CW) irradiation. This study introduces arbitrary phase shaped pulses that constitute a train of coherent chirp pulses in the time domain at 200 GHz (7 T) to dramatically enhance the saturation bandwidth and DNP performance compared to CW DNP, yielding up to 500-fold in NMR signal enhancements. The observed improvement is attributed to the recruitment of additional electron spins contributing to DNP via the cross-effect mechanism, as experimentally confirmed by two-frequency pump-probe electron-electron double resonance (ELDOR).

A generalized any particle propagator theory: Assessment of nuclear quantum effects on electron propagator calculations

NASA Astrophysics Data System (ADS)

Romero, Jonathan; Posada, Edwin; Flores-Moreno, Roberto; Reyes, Andrés

2012-08-01

In this work we propose an extended propagator theory for electrons and other types of quantum particles. This new approach has been implemented in the LOWDIN package and applied to sample calculations of atomic and small molecular systems to determine its accuracy and performance. As a first application of the method we have studied the nuclear quantum effects on electron ionization energies. We have observed that ionization energies of atoms are similar to those obtained with the electron propagator approach. However, for molecular systems containing hydrogen atoms there are improvements in the quality of the results with the inclusion of nuclear quantum effects. An energy term analysis has allowed us to conclude that nuclear quantum effects are important for zero order energies whereas propagator results correct the electron and electron-nuclear correlation terms. Results presented for a series of n-alkanes have revealed the potential of this method for the accurate calculation of ionization energies of a wide variety of molecular systems containing hydrogen nuclei. The proposed methodology will also be applicable to exotic molecular systems containing positrons or muons.

Theory for cross effect dynamic nuclear polarization under magic-angle spinning in solid state nuclear magnetic resonance: the importance of level crossings.

PubMed

Thurber, Kent R; Tycko, Robert

2012-08-28

We present theoretical calculations of dynamic nuclear polarization (DNP) due to the cross effect in nuclear magnetic resonance under magic-angle spinning (MAS). Using a three-spin model (two electrons and one nucleus), cross effect DNP with MAS for electron spins with a large g-anisotropy can be seen as a series of spin transitions at avoided crossings of the energy levels, with varying degrees of adiabaticity. If the electron spin-lattice relaxation time T(1e) is large relative to the MAS rotation period, the cross effect can happen as two separate events: (i) partial saturation of one electron spin by the applied microwaves as one electron spin resonance (ESR) frequency crosses the microwave frequency and (ii) flip of all three spins, when the difference of the two ESR frequencies crosses the nuclear frequency, which transfers polarization to the nuclear spin if the two electron spins have different polarizations. In addition, adiabatic level crossings at which the two ESR frequencies become equal serve to maintain non-uniform saturation across the ESR line. We present analytical results based on the Landau-Zener theory of adiabatic transitions, as well as numerical quantum mechanical calculations for the evolution of the time-dependent three-spin system. These calculations provide insight into the dependence of cross effect DNP on various experimental parameters, including MAS frequency, microwave field strength, spin relaxation rates, hyperfine and electron-electron dipole coupling strengths, and the nature of the biradical dopants.

Manipulation of a Nuclear Spin by a Magnetic Domain Wall in a Quantum Hall Ferromagnet.

PubMed

Korkusinski, M; Hawrylak, P; Liu, H W; Hirayama, Y

2017-03-06

The manipulation of a nuclear spin by an electron spin requires the energy to flip the electron spin to be vanishingly small. This can be realized in a many electron system with degenerate ground states of opposite spin polarization in different Landau levels. We present here a microscopic theory of a domain wall between spin unpolarized and spin polarized quantum Hall ferromagnet states at filling factor two with the Zeeman energy comparable to the cyclotron energy. We determine the energies and many-body wave functions of the electronic quantum Hall droplet with up to N = 80 electrons as a function of the total spin, angular momentum, cyclotron and Zeeman energies from the spin singlet ν = 2 phase, through an intermediate polarization state exhibiting a domain wall to the fully spin-polarized phase involving the lowest and the second Landau levels. We demonstrate that the energy needed to flip one electron spin in a domain wall becomes comparable to the energy needed to flip the nuclear spin. The orthogonality of orbital electronic states is overcome by the many-electron character of the domain - the movement of the domain wall relative to the position of the nuclear spin enables the manipulation of the nuclear spin by electrical means.

Manipulation of a Nuclear Spin by a Magnetic Domain Wall in a Quantum Hall Ferromagnet

PubMed Central

Korkusinski, M.; Hawrylak, P.; Liu, H. W.; Hirayama, Y.

2017-01-01

The manipulation of a nuclear spin by an electron spin requires the energy to flip the electron spin to be vanishingly small. This can be realized in a many electron system with degenerate ground states of opposite spin polarization in different Landau levels. We present here a microscopic theory of a domain wall between spin unpolarized and spin polarized quantum Hall ferromagnet states at filling factor two with the Zeeman energy comparable to the cyclotron energy. We determine the energies and many-body wave functions of the electronic quantum Hall droplet with up to N = 80 electrons as a function of the total spin, angular momentum, cyclotron and Zeeman energies from the spin singlet ν = 2 phase, through an intermediate polarization state exhibiting a domain wall to the fully spin-polarized phase involving the lowest and the second Landau levels. We demonstrate that the energy needed to flip one electron spin in a domain wall becomes comparable to the energy needed to flip the nuclear spin. The orthogonality of orbital electronic states is overcome by the many-electron character of the domain - the movement of the domain wall relative to the position of the nuclear spin enables the manipulation of the nuclear spin by electrical means. PMID:28262758

Optically Induced Nuclear Spin Polarization in the Quantum Hall Regime: The Effect of Electron Spin Polarization through Exciton and Trion Excitations.

PubMed

Akiba, K; Kanasugi, S; Yuge, T; Nagase, K; Hirayama, Y

2015-07-10

We study nuclear spin polarization in the quantum Hall regime through the optically pumped electron spin polarization in the lowest Landau level. The nuclear spin polarization is measured as a nuclear magnetic field B(N) by means of the sensitive resistive detection. We find the dependence of B(N) on the filling factor nonmonotonic. The comprehensive measurements of B(N) with the help of the circularly polarized photoluminescence measurements indicate the participation of the photoexcited complexes, i.e., the exciton and trion (charged exciton), in nuclear spin polarization. On the basis of a novel estimation method of the equilibrium electron spin polarization, we analyze the experimental data and conclude that the filling factor dependence of B(N) is understood by the effect of electron spin polarization through excitons and trions.

Vibrational Properties of Hydrogen-Bonded Systems Using the Multireference Generalization to the "On-the-Fly" Electronic Structure within Quantum Wavepacket ab Initio Molecular Dynamics (QWAIMD).

PubMed

Li, Junjie; Li, Xiaohu; Iyengar, Srinivasan S

2014-06-10

We discuss a multiconfigurational treatment of the "on-the-fly" electronic structure within the quantum wavepacket ab initio molecular dynamics (QWAIMD) method for coupled treatment of quantum nuclear effects with electronic structural effects. Here, multiple single-particle electronic density matrices are simultaneously propagated with a quantum nuclear wavepacket and other classical nuclear degrees of freedom. The multiple density matrices are coupled through a nonorthogonal configuration interaction (NOCI) procedure to construct the instantaneous potential surface. An adaptive-mesh-guided set of basis functions composed of Gaussian primitives are used to simplify the electronic structure calculations. Specifically, with the replacement of the atom-centered basis functions positioned on the centers of the quantum-mechanically treated nuclei by a mesh-guided band of basis functions, the two-electron integrals used to compute the electronic structure potential surface become independent of the quantum nuclear variable and hence reusable along the entire Cartesian grid representing the quantum nuclear coordinates. This reduces the computational complexity involved in obtaining a potential surface and facilitates the interpretation of the individual density matrices as representative diabatic states. The parametric nuclear position dependence of the diabatic states is evaluated at the initial time-step using a Shannon-entropy-based sampling function that depends on an approximation to the quantum nuclear wavepacket and the potential surface. This development is meant as a precursor to an on-the-fly fully multireference electronic structure procedure embedded, on-the-fly, within a quantum nuclear dynamics formalism. We benchmark the current development by computing structural, dynamic, and spectroscopic features for a series of bihalide hydrogen-bonded systems: FHF(-), ClHCl(-), BrHBr(-), and BrHCl(-). We find that the donor-acceptor structural features are in good agreement with experiments. Spectroscopic features are computed using a unified velocity/flux autocorrelation function and include vibrational fundamentals and combination bands. These agree well with experiments and other theories.

General theory of feedback control of a nuclear spin ensemble in quantum dots

NASA Astrophysics Data System (ADS)

Yang, Wen; Sham, L. J.

2013-12-01

We present a microscopic theory of the nonequilibrium nuclear spin dynamics driven by the electron and/or hole under continuous-wave pumping in a quantum dot. We show the correlated dynamics of the nuclear spin ensemble and the electron and/or hole under optical excitation as a quantum feedback loop and investigate the dynamics of the many nuclear spins as a nonlinear collective motion. This gives rise to three observable effects: (i) hysteresis, (ii) locking (avoidance) of the pump absorption strength to (from) the natural resonance, and (iii) suppression (amplification) of the fluctuation of weakly polarized nuclear spins, leading to prolonged (shortened) electron-spin coherence time. A single nonlinear feedback function is constructed which determines the different outcomes of the three effects listed above depending on the feedback being negative or positive. The general theory also helps to put in perspective the wide range of existing theories on the problem of a single electron spin in a nuclear spin bath.

Overhauser shift and dynamic nuclear polarization on carbon fibers

NASA Astrophysics Data System (ADS)

Herb, Konstantin; Denninger, Gert

2018-06-01

We report on the first experimental magnetic resonance determination of the coupling between electrons and nuclear spins (1H, 13C) in carbon fibers. Our results strongly support the assumption that the electronic spins are delocalized on graphene like structures in the fiber. The coupling between these electrons and the nuclei of the lattice results in dynamic nuclear polarization of the nuclei (DNP), enabling very sensitive NMR experiments on these nuclear spins. For possible applications of graphene in spintronics devices the coupling between nuclei and electrons is essential. We were able to determine the interactions down to 30 × 10-9(30 ppb) . We were even able to detect the coupling of the electrons to 13C (in natural abundance). These experiments open the way for a range of new double resonance investigations with possible applications in the field of material science.

Electron Spin Dephasing and Decoherence by Interaction with Nuclear Spins in Self-Assembled Quantum Dots

NASA Technical Reports Server (NTRS)

Lee, Seungwon; vonAllmen, Paul; Oyafuso, Fabiano; Klimeck, Gerhard; Whale, K. Birgitta

2004-01-01

Electron spin dephasing and decoherence by its interaction with nuclear spins in self-assembled quantum dots are investigated in the framework of the empirical tight-binding model. Electron spin dephasing in an ensemble of dots is induced by the inhomogeneous precession frequencies of the electron among dots, while electron spin decoherence in a single dot arises from the inhomogeneous precession frequencies of nuclear spins in the dot. For In(x)Ga(1-x) As self-assembled dots containing 30000 nuclei, the dephasing and decoherence times are predicted to be on the order of 100 ps and 1 (micro)s.

Electronuclear paths in the nuclear conversion of molecular hydrogen in silicon

NASA Astrophysics Data System (ADS)

Ilisca, Ernest; Ghiglieno, Filippo

2017-01-01

The ortho-para conversion of hydrogen molecules oscillating inside tetrahedral cages of silicon compounds relies on the interaction of the nuclear protons with the silicon electrons. At each collision against the cage hard walls, the electron repulsion changes the molecular rotation while projecting a valence electron in the antibonding molecular state dressed by a group of conduction ones. That «bridge» facilitates the hyperfine contact of the electrons with the protons. At room temperature, the angular momentum transfer is enhanced by electron fluctuations that overcome the silicon gap and accelerate the nuclear rates by more than one order of magnitude.

Scanning nuclear resonance imaging of a hyperfine-coupled quantum Hall system.

PubMed

Hashimoto, Katsushi; Tomimatsu, Toru; Sato, Ken; Hirayama, Yoshiro

2018-06-07

Nuclear resonance (NR) is widely used to detect and characterise nuclear spin polarisation and conduction electron spin polarisation coupled by a hyperfine interaction. While the macroscopic aspects of such hyperfine-coupled systems have been addressed in most relevant studies, the essential role of local variation in both types of spin polarisation has been indicated in 2D semiconductor systems. In this study, we apply a recently developed local and highly sensitive NR based on a scanning probe to a hyperfine-coupled quantum Hall (QH) system in a 2D electron gas subject to a strong magnetic field. We succeed in imaging the NR intensity and Knight shift, uncovering the spatial distribution of both the nuclear and electron spin polarisation. The results reveal the microscopic origin of the nonequilibrium QH phenomena, and highlight the potential use of our technique in microscopic studies on various electron spin systems as well as their correlations with nuclear spins.

Computer simulation of magnetic resonance spectra employing homotopy.

PubMed

Gates, K E; Griffin, M; Hanson, G R; Burrage, K

1998-11-01

Multidimensional homotopy provides an efficient method for accurately tracing energy levels and hence transitions in the presence of energy level anticrossings and looping transitions. Herein we describe the application and implementation of homotopy to the analysis of continuous wave electron paramagnetic resonance spectra. The method can also be applied to electron nuclear double resonance, electron spin echo envelope modulation, solid-state nuclear magnetic resonance, and nuclear quadrupole resonance spectra. Copyright 1998 Academic Press.

10 CFR 63.4 - Communications and records.

Code of Federal Regulations, 2013 CFR

2013-01-01

... NUCLEAR REGULATORY COMMISSION (CONTINUED) DISPOSAL OF HIGH-LEVEL RADIOACTIVE WASTES IN A GEOLOGIC..., Office of Nuclear Material Safety and Safeguards; or, (3) Where practicable, by electronic submission, for example, via Electronic Information Exchange, or CD-ROM. Electronic submissions must be made in a...

10 CFR 63.4 - Communications and records.

Code of Federal Regulations, 2012 CFR

2012-01-01

... NUCLEAR REGULATORY COMMISSION (CONTINUED) DISPOSAL OF HIGH-LEVEL RADIOACTIVE WASTES IN A GEOLOGIC..., Office of Nuclear Material Safety and Safeguards; or, (3) Where practicable, by electronic submission, for example, via Electronic Information Exchange, or CD-ROM. Electronic submissions must be made in a...

10 CFR 63.4 - Communications and records.

Code of Federal Regulations, 2014 CFR

2014-01-01

... NUCLEAR REGULATORY COMMISSION (CONTINUED) DISPOSAL OF HIGH-LEVEL RADIOACTIVE WASTES IN A GEOLOGIC..., Office of Nuclear Material Safety and Safeguards; or, (3) Where practicable, by electronic submission, for example, via Electronic Information Exchange, or CD-ROM. Electronic submissions must be made in a...

Molecular interferometer to decode attosecond electron-nuclear dynamics.

PubMed

Palacios, Alicia; González-Castrillo, Alberto; Martín, Fernando

2014-03-18

Understanding the coupled electronic and nuclear dynamics in molecules by using pump-probe schemes requires not only the use of short enough laser pulses but also wavelengths and intensities that do not modify the intrinsic behavior of the system. In this respect, extreme UV pulses of few-femtosecond and attosecond durations have been recognized as the ideal tool because their short wavelengths ensure a negligible distortion of the molecular potential. In this work, we propose the use of two twin extreme UV pulses to create a molecular interferometer from direct and sequential two-photon ionization processes that leave the molecule in the same final state. We theoretically demonstrate that such a scheme allows for a complete identification of both electronic and nuclear phases in the wave packet generated by the pump pulse. We also show that although total ionization yields reveal entangled electronic and nuclear dynamics in the bound states, doubly differential yields (differential in both electronic and nuclear energies) exhibit in addition the dynamics of autoionization, i.e., of electron correlation in the ionization continuum. Visualization of such dynamics is possible by varying the time delay between the pump and the probe pulses.

Nonlocal Polarization Feedback in a Fractional Quantum Hall Ferromagnet.

PubMed

Hennel, Szymon; Braem, Beat A; Baer, Stephan; Tiemann, Lars; Sohi, Pirouz; Wehrli, Dominik; Hofmann, Andrea; Reichl, Christian; Wegscheider, Werner; Rössler, Clemens; Ihn, Thomas; Ensslin, Klaus; Rudner, Mark S; Rosenow, Bernd

2016-04-01

In a quantum Hall ferromagnet, the spin polarization of the two-dimensional electron system can be dynamically transferred to nuclear spins in its vicinity through the hyperfine interaction. The resulting nuclear field typically acts back locally, modifying the local electronic Zeeman energy. Here we report a nonlocal effect arising from the interplay between nuclear polarization and the spatial structure of electronic domains in a ν=2/3 fractional quantum Hall state. In our experiments, we use a quantum point contact to locally control and probe the domain structure of different spin configurations emerging at the spin phase transition. Feedback between nuclear and electronic degrees of freedom gives rise to memristive behavior, where electronic transport through the quantum point contact depends on the history of current flow. We propose a model for this effect which suggests a novel route to studying edge states in fractional quantum Hall systems and may account for so-far unexplained oscillatory electronic-transport features observed in previous studies.

Effects of 30 Mev Electron Irradiation on InGaAsP LEDs (Light Emitting Diodes) and InGaAs Photodiodes.

DTIC Science & Technology

1986-06-01

devices in satellites and military combat systems, the reliability of LEDs and photodiodes when exposed to the typical radiation of a space or nuclear ...could be exposed to: nuclear power plants, space environments or a nuclear weapon detonation. When located on the 15 surface of the earth, nuclear power...35,000 miles above the earth’s surface. Additionally, electrons, neutrons and other products from a high altitude detonation of a nuclear weapon can

Free energy functionals for polarization fluctuations: Pekar factor revisited

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dinpajooh, Mohammadhasan; Newton, Marshall D.; Matyushov, Dmitry V.

The separation of slow nuclear and fast electronic polarization in problems related to electron mobility in polarizable media was considered by Pekar 70 years ago. Within dielectric continuum models, this separation leads to the Pekar factor in the free energy of solvation by the nuclear degrees of freedom. The main qualitative prediction of Pekar’s perspective is a significant, by about a factor of two, drop of the nuclear solvation free energy compared to the total (electronic plus nuclear) free energy of solvation. The Pekar factor enters the solvent reorganization energy of electron transfer reactions and is a significant mechanistic parametermore » accounting for the solvent effect on electron transfer. Here, we study the separation of the fast and slow polarization modes in polar molecular liquids (polarizable dipolar liquids and polarizable water force fields) without relying on the continuum approximation. We derive the nonlocal free energy functional and use atomistic numerical simulations to obtain nonlocal, reciprocal space electronic and nuclear susceptibilities. A consistent transition to the continuum limit is introduced by extrapolating the results of finite-size numerical simulation to zero wavevector. The continuum nuclear susceptibility extracted from simulations is numerically close to the Pekar factor. However, we derive a new functionality involving the static and high-frequency dielectric constants. The main distinction of our approach from the traditional theories is found for the solvation free energy due to the nuclear polarization: the anticipated significant drop of its magnitude with increasing liquid polarizability does not occur. The reorganization energy of electron transfer is either nearly constant with increasing the solvent polarizability and the corresponding high-frequency dielectric constant (polarizable dipolar liquids) or actually noticeably increases (polarizable force fields of water).« less

Free energy functionals for polarization fluctuations: Pekar factor revisited

DOE PAGES

Dinpajooh, Mohammadhasan; Newton, Marshall D.; Matyushov, Dmitry V.

2017-02-13

The separation of slow nuclear and fast electronic polarization in problems related to electron mobility in polarizable media was considered by Pekar 70 years ago. Within dielectric continuum models, this separation leads to the Pekar factor in the free energy of solvation by the nuclear degrees of freedom. The main qualitative prediction of Pekar’s perspective is a significant, by about a factor of two, drop of the nuclear solvation free energy compared to the total (electronic plus nuclear) free energy of solvation. The Pekar factor enters the solvent reorganization energy of electron transfer reactions and is a significant mechanistic parametermore » accounting for the solvent effect on electron transfer. Here, we study the separation of the fast and slow polarization modes in polar molecular liquids (polarizable dipolar liquids and polarizable water force fields) without relying on the continuum approximation. We derive the nonlocal free energy functional and use atomistic numerical simulations to obtain nonlocal, reciprocal space electronic and nuclear susceptibilities. A consistent transition to the continuum limit is introduced by extrapolating the results of finite-size numerical simulation to zero wavevector. The continuum nuclear susceptibility extracted from simulations is numerically close to the Pekar factor. However, we derive a new functionality involving the static and high-frequency dielectric constants. The main distinction of our approach from the traditional theories is found for the solvation free energy due to the nuclear polarization: the anticipated significant drop of its magnitude with increasing liquid polarizability does not occur. The reorganization energy of electron transfer is either nearly constant with increasing the solvent polarizability and the corresponding high-frequency dielectric constant (polarizable dipolar liquids) or actually noticeably increases (polarizable force fields of water).« less

Free energy functionals for polarization fluctuations: Pekar factor revisited.

PubMed

Dinpajooh, Mohammadhasan; Newton, Marshall D; Matyushov, Dmitry V

2017-02-14

The separation of slow nuclear and fast electronic polarization in problems related to electron mobility in polarizable media was considered by Pekar 70 years ago. Within dielectric continuum models, this separation leads to the Pekar factor in the free energy of solvation by the nuclear degrees of freedom. The main qualitative prediction of Pekar's perspective is a significant, by about a factor of two, drop of the nuclear solvation free energy compared to the total (electronic plus nuclear) free energy of solvation. The Pekar factor enters the solvent reorganization energy of electron transfer reactions and is a significant mechanistic parameter accounting for the solvent effect on electron transfer. Here, we study the separation of the fast and slow polarization modes in polar molecular liquids (polarizable dipolar liquids and polarizable water force fields) without relying on the continuum approximation. We derive the nonlocal free energy functional and use atomistic numerical simulations to obtain nonlocal, reciprocal space electronic and nuclear susceptibilities. A consistent transition to the continuum limit is introduced by extrapolating the results of finite-size numerical simulation to zero wavevector. The continuum nuclear susceptibility extracted from the simulations is numerically close to the Pekar factor. However, we derive a new functionality involving the static and high-frequency dielectric constants. The main distinction of our approach from the traditional theories is found in the solvation free energy due to the nuclear polarization: the anticipated significant drop of its magnitude with increasing liquid polarizability does not occur. The reorganization energy of electron transfer is either nearly constant with increasing the solvent polarizability and the corresponding high-frequency dielectric constant (polarizable dipolar liquids) or actually noticeably increases (polarizable force fields of water).

Mean-trajectory approximation for electronic and vibrational-electronic nonlinear spectroscopy

NASA Astrophysics Data System (ADS)

Loring, Roger F.

2017-04-01

Mean-trajectory approximations permit the calculation of nonlinear vibrational spectra from semiclassically quantized trajectories on a single electronically adiabatic potential surface. By describing electronic degrees of freedom with classical phase-space variables and subjecting these to semiclassical quantization, mean-trajectory approximations may be extended to compute both nonlinear electronic spectra and vibrational-electronic spectra. A general mean-trajectory approximation for both electronic and nuclear degrees of freedom is presented, and the results for purely electronic and for vibrational-electronic four-wave mixing experiments are quantitatively assessed for harmonic surfaces with linear electronic-nuclear coupling.

Anomalous electron spin decoherence in an optically pumped quantum dot

NASA Astrophysics Data System (ADS)

Shi, Xiaofeng; Sham, L. J.

2013-03-01

We study the nuclear-spin-fluctuation induced spin decoherence of an electron (SDE) in an optically pumped quantum dot. The SDE is computed in terms of the steady distribution of the nuclear field (SDNF) formed through the hyperfine interaction (HI) with two different nuclear species in the dot. A feedback loop between the optically driven electron spin and the nuclear spin ensemble determines the SDNF [W. Yang and L. J. Sham, Phy. Rev. B 85, 235319(2012)]. Different from that work and others reviewed therein, where a bilinear HI, SαIβ , between the electron (or hole) spin S and the nuclear spin I is used, we use an effective nonlinear interaction of the form SαIβIγ derived from the Fermi-contact HI. Our feedback loop forms a multi-peak SDNF in which the SDE shows remarkable collapses and revivals in nanosecond time scale. Such an anomalous SDE results from a quantum interference effect of the electron Larmor precession in a multi-peak effective magnetic field. In the presence of a bilinear HI that suppresses the nuclear spin fluctuation, the non-Markovian SDE persists whenever there are finite Fermi contact interactions between two or more kinds of nuclei and the electron in the quantum dot. This work is supported by NSF(PHY 1104446) and the US Army Research Office MURI award W911NF0910406.

Electron quantum dynamics in atom-ion interaction

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sabzyan, H., E-mail: sabzyan@sci.ui.ac.ir; Jenabi, M. J.

2016-04-07

Electron transfer (ET) process and its dependence on the system parameters are investigated by solving two-dimensional time-dependent Schrödinger equation numerically using split operator technique. Evolution of the electron wavepacket occurs from the one-electron species hydrogen atom to another bare nucleus of charge Z > 1. This evolution is quantified by partitioning the simulation box and defining regional densities belonging to the two nuclei of the system. It is found that the functional form of the time-variations of these regional densities and the extent of ET process depend strongly on the inter-nuclear distance and relative values of the nuclear charges, whichmore » define the potential energy surface governing the electron wavepacket evolution. Also, the initial electronic state of the single-electron atom has critical effect on this evolution and its consequent (partial) electron transfer depending on its spreading extent and orientation with respect to the inter-nuclear axis.« less

Quantum mechanical theory of dynamic nuclear polarization in solid dielectrics.

PubMed

Hu, Kan-Nian; Debelouchina, Galia T; Smith, Albert A; Griffin, Robert G

2011-03-28

Microwave driven dynamic nuclear polarization (DNP) is a process in which the large polarization present in an electron spin reservoir is transferred to nuclei, thereby enhancing NMR signal intensities. In solid dielectrics there are three mechanisms that mediate this transfer--the solid effect (SE), the cross effect (CE), and thermal mixing (TM). Historically these mechanisms have been discussed theoretically using thermodynamic parameters and average spin interactions. However, the SE and the CE can also be modeled quantum mechanically with a system consisting of a small number of spins and the results provide a foundation for the calculations involving TM. In the case of the SE, a single electron-nuclear spin pair is sufficient to explain the polarization mechanism, while the CE requires participation of two electrons and a nuclear spin, and can be used to understand the improved DNP enhancements observed using biradical polarizing agents. Calculations establish the relations among the electron paramagnetic resonance (EPR) and nuclear magnetic resonance (NMR) frequencies and the microwave irradiation frequency that must be satisfied for polarization transfer via the SE or the CE. In particular, if δ, Δ < ω(0I), where δ and Δ are the homogeneous linewidth and inhomogeneous breadth of the EPR spectrum, respectively, we verify that the SE occurs when ω(M) = ω(0S) ± ω(0I), where ω(M), ω(0S) and ω(0I) are, respectively, the microwave, and the EPR and NMR frequencies. Alternatively, when Δ > ω(0I) > δ, the CE dominates the polarization transfer. This two-electron process is optimized when ω(0S(1))-ω(0S(2)) = ω(0I) and ω(M)~ω(0S(1)) or ω(0S(2)), where ω(0S(1)) and ω(0S(2)) are the EPR Larmor frequencies of the two electrons. Using these matching conditions, we calculate the evolution of the density operator from electron Zeeman order to nuclear Zeeman order for both the SE and the CE. The results provide insights into the influence of the microwave irradiation field, the external magnetic field, and the electron-electron and electron-nuclear interactions on DNP enhancements.

Virtual enterprise model for the electronic components business in the Nuclear Weapons Complex

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ferguson, T.J.; Long, K.S.; Sayre, J.A.

1994-08-01

The electronic components business within the Nuclear Weapons Complex spans organizational and Department of Energy contractor boundaries. An assessment of the current processes indicates a need for fundamentally changing the way electronic components are developed, procured, and manufactured. A model is provided based on a virtual enterprise that recognizes distinctive competencies within the Nuclear Weapons Complex and at the vendors. The model incorporates changes that reduce component delivery cycle time and improve cost effectiveness while delivering components of the appropriate quality.

Orbital electron capture by the nucleus

NASA Technical Reports Server (NTRS)

Bambynek, W.; Behrens, H.; Chen, M. H.; Crasemann, B.; Fitzpatrick, M. L.; Ledingham, K. W. D.; Genz, H.; Mutterer, M.; Intemann, R. L.

1976-01-01

The theory of nuclear electron capture is reviewed in the light of current understanding of weak interactions. Experimental methods and results regarding capture probabilities, capture ratios, and EC/Beta(+) ratios are summarized. Radiative electron capture is discussed, including both theory and experiment. Atomic wave function overlap and electron exchange effects are covered, as are atomic transitions that accompany nuclear electron capture. Tables are provided to assist the reader in determining quantities of interest for specific cases.

Ultrafast Charge Transfer of a Valence Double Hole in Glycine Driven Exclusively by Nuclear Motion

NASA Astrophysics Data System (ADS)

Li, Zheng; Vendrell, Oriol; Santra, Robin

2015-10-01

We explore theoretically the ultrafast transfer of a double electron hole between the functional groups of glycine after K -shell ionization and subsequent Auger decay. Although a large energy gap of about 15 eV initially exists between the two electronic states involved and coherent electronic dynamics play no role in the hole transfer, we find that the double hole is transferred within 3 to 4 fs between both functional ends of the glycine molecule driven solely by specific nuclear displacements and non-Born-Oppenheimer effects. The nuclear displacements along specific vibrational modes are of the order of 15% of a typical chemical bond between carbon, oxygen, and nitrogen atoms and about 30% for bonds involving hydrogen atoms. The time required for the hole transfer corresponds to less than half a vibrational period of the involved nuclear modes. This finding challenges the common wisdom that nuclear dynamics of the molecular skeleton are unimportant for charge transfer processes at the few-femtosecond time scale and shows that they can even play a prominent role. It also indicates that in x-ray imaging experiments, in which ionization is unavoidable, valence electron redistribution caused by nuclear dynamics might be much faster than previously anticipated. Thus, non-Born-Oppenheimer effects may affect the apparent electron densities extracted from such measurements.

Ultrafast Charge Transfer of a Valence Double Hole in Glycine Driven Exclusively by Nuclear Motion.

PubMed

Li, Zheng; Vendrell, Oriol; Santra, Robin

2015-10-02

We explore theoretically the ultrafast transfer of a double electron hole between the functional groups of glycine after K-shell ionization and subsequent Auger decay. Although a large energy gap of about 15 eV initially exists between the two electronic states involved and coherent electronic dynamics play no role in the hole transfer, we find that the double hole is transferred within 3 to 4 fs between both functional ends of the glycine molecule driven solely by specific nuclear displacements and non-Born-Oppenheimer effects. The nuclear displacements along specific vibrational modes are of the order of 15% of a typical chemical bond between carbon, oxygen, and nitrogen atoms and about 30% for bonds involving hydrogen atoms. The time required for the hole transfer corresponds to less than half a vibrational period of the involved nuclear modes. This finding challenges the common wisdom that nuclear dynamics of the molecular skeleton are unimportant for charge transfer processes at the few-femtosecond time scale and shows that they can even play a prominent role. It also indicates that in x-ray imaging experiments, in which ionization is unavoidable, valence electron redistribution caused by nuclear dynamics might be much faster than previously anticipated. Thus, non-Born-Oppenheimer effects may affect the apparent electron densities extracted from such measurements.

Optically controlled locking of the nuclear field via coherent dark-state spectroscopy.

PubMed

Xu, Xiaodong; Yao, Wang; Sun, Bo; Steel, Duncan G; Bracker, Allan S; Gammon, Daniel; Sham, L J

2009-06-25

A single electron or hole spin trapped inside a semiconductor quantum dot forms the foundation for many proposed quantum logic devices. In group III-V materials, the resonance and coherence between two ground states of the single spin are inevitably affected by the lattice nuclear spins through the hyperfine interaction, while the dynamics of the single spin also influence the nuclear environment. Recent efforts have been made to protect the coherence of spins in quantum dots by suppressing the nuclear spin fluctuations. However, coherent control of a single spin in a single dot with simultaneous suppression of the nuclear fluctuations has yet to be achieved. Here we report the suppression of nuclear field fluctuations in a singly charged quantum dot to well below the thermal value, as shown by an enhancement of the single electron spin dephasing time T(2)*, which we measure using coherent dark-state spectroscopy. The suppression of nuclear fluctuations is found to result from a hole-spin assisted dynamic nuclear spin polarization feedback process, where the stable value of the nuclear field is determined only by the laser frequencies at fixed laser powers. This nuclear field locking is further demonstrated in a three-laser measurement, indicating a possible enhancement of the electron spin T(2)* by a factor of several hundred. This is a simple and powerful method of enhancing the electron spin coherence time without use of 'spin echo'-type techniques. We expect that our results will enable the reproducible preparation of the nuclear spin environment for repetitive control and measurement of a single spin with minimal statistical broadening.

Inhomogeneous nuclear spin polarization induced by helicity-modulated optical excitation of fluorine-bound electron spins in ZnSe

NASA Astrophysics Data System (ADS)

Heisterkamp, F.; Greilich, A.; Zhukov, E. A.; Kirstein, E.; Kazimierczuk, T.; Korenev, V. L.; Yugova, I. A.; Yakovlev, D. R.; Pawlis, A.; Bayer, M.

2015-12-01

Optically induced nuclear spin polarization in a fluorine-doped ZnSe epilayer is studied by time-resolved Kerr rotation using resonant excitation of donor-bound excitons. Excitation with helicity-modulated laser pulses results in a transverse nuclear spin polarization, which is detected as a change of the Larmor precession frequency of the donor-bound electron spins. The frequency shift in dependence on the transverse magnetic field exhibits a pronounced dispersion-like shape with resonances at the fields of nuclear magnetic resonance of the constituent zinc and selenium isotopes. It is studied as a function of external parameters, particularly of constant and radio frequency external magnetic fields. The width of the resonance and its shape indicate a strong spatial inhomogeneity of the nuclear spin polarization in the vicinity of a fluorine donor. A mechanism of optically induced nuclear spin polarization is suggested based on the concept of resonant nuclear spin cooling driven by the inhomogeneous Knight field of the donor-bound electron.

Nuclear polarization study: new frontiers for tests of QED in heavy highly charged ions.

PubMed

Volotka, Andrey V; Plunien, Günter

2014-07-11

A systematic investigation of the nuclear polarization effects in one- and few-electron heavy ions is presented. The nuclear polarization corrections in the zeroth and first orders in 1/Z are evaluated to the binding energies, the hyperfine splitting, and the bound-electron g factor. It is shown that the nuclear polarization contributions can be substantially canceled simultaneously with the rigid nuclear corrections. This allows for new prospects for probing the QED effects in a strong electromagnetic field and the determination of fundamental constants.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nelson, Tammie Renee; Fernandez Alberti, Sebastian; Roitberg, Adrian

The efficiency of materials developed for solar energy and technological applications depends on the interplay between molecular architecture and light-induced electronic energy redistribution. The spatial localization of electronic excitations is very sensitive to molecular distortions. Vibrational nuclear motions can couple to electronic dynamics driving changes in localization. The electronic energy transfer among multiple chromophores arises from several distinct mechanisms that can give rise to experimentally measured signals. Atomistic simulations of coupled electron-vibrational dynamics can help uncover the nuclear motions directing energy flow. Through careful analysis of excited state wave function evolution and a useful fragmenting of multichromophore systems, through-bond transportmore » and exciton hopping (through-space) mechanisms can be distinguished. Such insights are crucial in the interpretation of fluorescence anisotropy measurements and can aid materials design. Finally, this Perspective highlights the interconnected vibrational and electronic motions at the foundation of nonadiabatic dynamics where nuclear motions, including torsional rotations and bond vibrations, drive electronic transitions.« less

Inner-Shell Electron Recoil Discrimination in Xenon

DOE Office of Scientific and Technical Information (OSTI.GOV)

Trask, Makayla; Lippincott, Hugh; Baxter, Dan

2017-01-01

\\bulletmore » $$$$ Dark matter searches using time projection chambers (TPCs) rely on the ability to distinguish between nuclear and electron interactions $$$$ Xenon TPCs are specifically searching for a low energy nuclear recoil ( < 30 keV ) signal $$$$ To do this, these interactions must be discernable from the electron recoil background« less

Control of electron spin decoherence in nuclear spin baths

NASA Astrophysics Data System (ADS)

Liu, Ren-Bao

2011-03-01

Nuclear spin baths are a main mechanism of decoherence of spin qubits in solid-state systems, such as quantum dots and nitrogen-vacancy (NV) centers of diamond. The decoherence results from entanglement between the electron and nuclear spins, established by quantum evolution of the bath conditioned on the electron spin state. When the electron spin is flipped, the conditional bath evolution is manipulated. Such manipulation of bath through control of the electron spin not only leads to preservation of the center spin coherence but also demonstrates quantum nature of the bath. In an NV center system, the electron spin effectively interacts with hundreds of 13 C nuclear spins. Under repeated flip control (dynamical decoupling), the electron spin coherence can be preserved for a long time (> 1 ms) . Thereforesomecharacteristicoscillations , duetocouplingtoabonded 13 C nuclear spin pair (a dimer), are imprinted on the electron spin coherence profile, which are very sensitive to the position and orientation of the dimer. With such finger-print oscillations, a dimer can be uniquely identified. Thus, we propose magnetometry with single-nucleus sensitivity and atomic resolution, using NV center spin coherence to identify single molecules. Through the center spin coherence, we could also explore the many-body physics in an interacting spin bath. The information of elementary excitations and many-body correlations can be extracted from the center spin coherence under many-pulse dynamical decoupling control. Another application of the preserved spin coherence is identifying quantumness of a spin bath through the back-action of the electron spin to the bath. We show that the multiple transition of an NV center in a nuclear spin bath can have longer coherence time than the single transition does, when the classical noises due to inhomogeneous broadening is removed by spin echo. This counter-intuitive result unambiguously demonstrates the quantumness of the nuclear spin bath. This work was supported by Hong Kong RGC/GRF CUHK402207, CUHK402209, and CUHK402410. The author acknowledges collaboration with Nan Zhao, Jian-Liang Hu, Sai Wah Ho, Jones T. K. Wan, and Jiangfeng Du.

The Holographic Electron Density Theorem, de-quantization, re-quantization, and nuclear charge space extrapolations of the Universal Molecule Model

NASA Astrophysics Data System (ADS)

Mezey, Paul G.

2017-11-01

Two strongly related theorems on non-degenerate ground state electron densities serve as the basis of "Molecular Informatics". The Hohenberg-Kohn theorem is a statement on global molecular information, ensuring that the complete electron density contains the complete molecular information. However, the Holographic Electron Density Theorem states more: the local information present in each and every positive volume density fragment is already complete: the information in the fragment is equivalent to the complete molecular information. In other words, the complete molecular information provided by the Hohenberg-Kohn Theorem is already provided, in full, by any positive volume, otherwise arbitrarily small electron density fragment. In this contribution some of the consequences of the Holographic Electron Density Theorem are discussed within the framework of the "Nuclear Charge Space" and the Universal Molecule Model. In the Nuclear Charge Space" the nuclear charges are regarded as continuous variables, and in the more general Universal Molecule Model some other quantized parameteres are also allowed to become "de-quantized and then re-quantized, leading to interrelations among real molecules through abstract molecules. Here the specific role of the Holographic Electron Density Theorem is discussed within the above context.

Present and Future Applications of Digital Electronics in Nuclear Science - a Commercial Prospective

NASA Astrophysics Data System (ADS)

Tan, Hui

2011-10-01

Digital readout electronics instrumenting radiation detectors have experienced significant advancements in the last decade or so. This on one hand can be attributed to the steady improvements in commercial digital processing components such as analog-to-digital converters (ADCs), digital-to-analog converters (DACs), field-programmable-gate-arrays (FPGAs), and digital-signal-processors (DSPs), and on the other hand can also be attributed to the increasing needs for improved time, position, and energy resolution in nuclear physics experiments, which have spurred the rapid development of commercial off-the-shelf high speed, high resolution digitizers or spectrometers. Absent from conventional analog electronics, the capability to record fast decaying pulses from radiation detectors in digital readout electronics has profoundly benefited nuclear physics researchers since they now can perform detailed pulse processing for applications such as gamma-ray tracking and decay-event selection and reconstruction. In this talk, present state-of-the-art digital readout electronics and its applications in a variety of nuclear science fields will be discussed, and future directions in hardware development for digital electronics will also be outlined, all from the prospective of a commercial manufacturer of digital electronics.

Quantum Nuclear Dynamics Pumped and Probed by Ultrafast Polarization Controlled Steering of a Coherent Electronic State in LiH.

PubMed

Nikodem, Astrid; Levine, R D; Remacle, F

2016-05-19

The quantum wave packet dynamics following a coherent electronic excitation of LiH by an ultrashort, polarized, strong one-cycle infrared optical pulse is computed on several electronic states using a grid method. The coupling to the strong field of the pump and the probe pulses is included in the Hamiltonian used to solve the time-dependent Schrodinger equation. The polarization of the pump pulse allows us to control the localization in time and in space of the nonequilibrium coherent electronic motion and the subsequent nuclear dynamics. We show that transient absorption, resulting from the interaction of the total molecular dipole with the electric fields of the pump and the probe, is a very versatile probe of the different time scales of the vibronic dynamics. It allows probing both the ultrashort, femtosecond time scale of the electronic coherences as well as the longer dozens of femtoseconds time scales of the nuclear motion on the excited electronic states. The ultrafast beatings of the electronic coherences in space and in time are shown to be modulated by the different periods of the nuclear motion.

Space nuclear power systems; Proceedings of the 8th Symposium, Albuquerque, NM, Jan. 6-10, 1991. Pts. 1-3

NASA Technical Reports Server (NTRS)

El-Genk, Mohamed S. (Editor); Hoover, Mark D. (Editor)

1991-01-01

The present conference discusses NASA mission planning for space nuclear power, lunar mission design based on nuclear thermal rockets, inertial-electrostatic confinement fusion for space power, nuclear risk analysis of the Ulysses mission, the role of the interface in refractory metal alloy composites, an advanced thermionic reactor systems design code, and space high power nuclear-pumped lasers. Also discussed are exploration mission enhancements with power-beaming, power requirement estimates for a nuclear-powered manned Mars rover, SP-100 reactor design, safety, and testing, materials compatibility issues for fabric composite radiators, application of the enabler to nuclear electric propulsion, orbit-transfer with TOPAZ-type power sources, the thermoelectric properties of alloys, ruthenium silicide as a promising thermoelectric material, and innovative space-saving device for high-temperature piping systems. The second volume of this conference discusses engine concepts for nuclear electric propulsion, nuclear technologies for human exploration of the solar system, dynamic energy conversion, direct nuclear propulsion, thermionic conversion technology, reactor and power system control, thermal management, thermionic research, effects of radiation on electronics, heat-pipe technology, radioisotope power systems, and nuclear fuels for power reactors. The third volume discusses space power electronics, space nuclear fuels for propulsion reactors, power systems concepts, space power electronics systems, the use of artificial intelligence in space, flight qualifications and testing, microgravity two-phase flow, reactor manufacturing and processing, and space and environmental effects.

Electronic Delocalization, Vibrational Dynamics and Energy Transfer in Organic Chromophores

DOE PAGES

Nelson, Tammie Renee; Fernandez Alberti, Sebastian; Roitberg, Adrian; ...

2017-06-12

The efficiency of materials developed for solar energy and technological applications depends on the interplay between molecular architecture and light-induced electronic energy redistribution. The spatial localization of electronic excitations is very sensitive to molecular distortions. Vibrational nuclear motions can couple to electronic dynamics driving changes in localization. The electronic energy transfer among multiple chromophores arises from several distinct mechanisms that can give rise to experimentally measured signals. Atomistic simulations of coupled electron-vibrational dynamics can help uncover the nuclear motions directing energy flow. Through careful analysis of excited state wave function evolution and a useful fragmenting of multichromophore systems, through-bond transportmore » and exciton hopping (through-space) mechanisms can be distinguished. Such insights are crucial in the interpretation of fluorescence anisotropy measurements and can aid materials design. Finally, this Perspective highlights the interconnected vibrational and electronic motions at the foundation of nonadiabatic dynamics where nuclear motions, including torsional rotations and bond vibrations, drive electronic transitions.« less

Mims electron-nuclear double resonance in LiYF4:Ce3+ crystal

NASA Astrophysics Data System (ADS)

Gafurov, M.; Mamin, G.; Kurkin, I.; Orlinskii, S.

2018-05-01

We report the observation of the pulsed electron-nuclear double resonance (ENDOR) spectra from 19F and 7Li nuclei on impurity Ce3+ ions in LiYF4 crystal. The resolved structure from the nearby and remote nuclei in spectra is observed. The outcome shows that LiYF4:Ce3+ system can be exploited as a convenient matrix for performing spin manipulations and adjusting quantum computation protocols while ENDOR technique is usable for the investigation of electron-nuclear interaction with all the nuclei of the system.

Electron microscopy of the nuclear membrane of Amoeba proteus.

PubMed

FRAJOLA, W J; GREIDER, M H; KOSTIR, W J

1956-07-25

An electron microscope study of the nuclear membrane of Amoeba proteus by thin sectioning techniques has revealed an ultrastructure in the outer layer of the membrane that is homologous to the pores and annuli observed in the nuclear membranes of many other cell types studied by these techniques. An inner honeycombed layer apparently unique to Amoeba proteus is also described.

Preparation of isolated nuclei from K 562 haemopoietic cell line for high resolution scanning electron microscopy.

PubMed

Reipert, S; Reipert, B M; Allen, T D

1994-09-01

The aim of the work is to visualise nuclear pore complexes (NPCs) in mammalian cells by high resolution scanning electron microscopy. A detergent-free isolation protocol was employed to obtain clean nuclei from the haemopoietic cell line K 562. Nuclear isolation was performed by mechanical homogenisation under hypotonic conditions followed by purification of the nuclear fraction. The isolated nuclei were attached to silicon chips, fixed, critical point dried, and sputter coated with a thin film (3-4 nm) of tantalum. Analysis of the nuclear surface by scanning electron microscopy (SEM) revealed a strong sensitivity of the outer nuclear membrane (ONM) to disruption during the isolation procedure. A significant reduction of the characteristic pattern of damage to the ONM was achieved by means of an isopicnic centrifugation on an isoosmolar balanced Percoll gradient. Analysis of the population of isolated nuclei by flow cytometry showed no signs of cell cycle specific losses of nuclei during isolation. The SEM investigations of the morphology of the nuclear envelope (NE) and of substructural details of NPCs and polyribosomes were performed using an in-lens field emission scanning electron microscope.

Transient nutation electron spin resonance spectroscopy on spin-correlated radical pairs: A theoretical analysis on hyperfine-induced nuclear modulations

NASA Astrophysics Data System (ADS)

Weber, Stefan; Kothe, Gerd; Norris, James R.

1997-04-01

The influence of anisotropic hyperfine interaction on transient nutation electron paramagnetic resonance (EPR) of light-induced spin-correlated radical pairs is studied theoretically using the density operator formalism. Analytical expressions for the time evolution of the transient EPR signal during selective microwave excitation of single transitions are derived for a model system comprised of a weakly coupled radical pair and one hyperfine-coupled nucleus with I=1/2. Zero-quantum electron coherence and single-quantum nuclear coherence are created as a result of the sudden light-induced generation of the radical pair state from a singlet-state precursor. Depending on the relative sizes of the nuclear Zeeman frequency and the secular and pseudo-secular parts of the hyperfine coupling, transitions between levels with different nuclear spin orientations are predicted to modulate the time-dependent EPR signal. These modulations are in addition to the well-known transient nutations and electron zero-quantum precessions. Our calculations provide insight into the mechanism of recent experimental observations of coherent nuclear modulations in the time-resolved EPR signals of doublets and radical pairs. Two distinct mechanisms of the modulations are presented for various microwave magnetic field strengths. The first modulation scheme arises from electron and nuclear coherences initiated by the laser excitation pulse and is "read out" by the weak microwave magnetic field. While the relative modulation depth of these oscillations with respect to the signal intensity is independent of the Rabi frequency, ω1, the frequencies of this coherence phenomenon are modulated by the effective microwave amplitude and determined by the nuclear Zeeman interaction and hyperfine coupling constants as well as the electron-electron spin exchange and dipolar interactions between the two radical pair halves. In a second mechanism the modulations are both created and detected by the microwave radiation. Here, the laser pulse merely defines the beginning of the microwave-induced coherent time evolution. This second mechanism appears the most consistent with current experimental observations.

Nuclear astrophysics and electron beams

DOE Office of Scientific and Technical Information (OSTI.GOV)

Schwenk, A.

Electron beams provide important probes and constraints for nuclear astrophysics. This is especially exciting at energies within the regime of chiral effective field theory (EFT), which provides a systematic expansion for nuclear forces and electroweak operators based on quantum chromodynamics. This talk discusses some recent highlights and future directions based on chiral EFT, including nuclear structure and reactions for astrophysics, the neutron skin and constraints for the properties of neutron-rich matter in neutron stars and core-collapse supernovae, and the dark matter response of nuclei.

Electron and nuclear spin interactions in the optical spectra of single GaAs quantum dots.

PubMed

Gammon, D; Efros, A L; Kennedy, T A; Rosen, M; Katzer, D S; Park, D; Brown, S W; Korenev, V L; Merkulov, I A

2001-05-28

Fine and hyperfine splittings arising from electron, hole, and nuclear spin interactions in the magneto-optical spectra of individual localized excitons are studied. We explain the magnetic field dependence of the energy splitting through competition between Zeeman, exchange, and hyperfine interactions. An unexpectedly small hyperfine contribution to the splitting close to zero applied field is described well by the interplay between fluctuations of the hyperfine field experienced by the nuclear spin and nuclear dipole/dipole interactions.

The nonchromatin substructures of the nucleus: the ribonucleoprotein (RNP)-containing and RNP-depleted matrices analyzed by sequential fractionation and resinless section electron microscopy

PubMed Central

1986-01-01

The nonchromatin structure or matrix of the nucleus has been studied using an improved fractionation in concert with resinless section electron microscopy. The resinless sections show the nucleus of the intact cell to be filled with a dense network or lattice composed of soluble proteins and chromatin in addition to the structural nuclear constituents. In the first fractionation step, soluble proteins are removed by extraction with Triton X-100, and the dense nuclear lattice largely disappears. Chromatin and nonchromatin nuclear fibers are now sharply imaged. Nuclear constituents are further separated into three well-defined, distinct protein fractions. Chromatin proteins are those that require intact DNA for their association with the nucleus and are released by 0.25 M ammonium sulfate after internucleosomal DNA is cut with DNAase I. The resulting structure retains most heterogeneous nuclear ribonucleoprotein (hnRNP) and is designated the RNP-containing nuclear matrix. The proteins of hnRNP are those associated with the nucleus only if RNA is intact. These are released when nuclear RNA is briefly digested with RNAase A. Ribonuclease digestion releases 97% of the hnRNA and its associated proteins. These proteins correspond to the hnRNP described by Pederson (Pederson, T., 1974, J. Mol. Biol., 83:163- 184) and are distinct from the proteins that remain in the ribonucleoprotein (RNP)-depleted nuclear matrix. The RNP-depleted nuclear matrix is a core structure that retains lamins A and C, the intermediate filaments, and a unique set of nuclear matrix proteins (Fey, E. G., K. M. Wan, and S. Penman, 1984, J. Cell Biol. 98:1973- 1984). This core had been previously designated the nuclear matrix- intermediate filament scaffold and its proteins are a third, distinct, and nonoverlapping subset of the nuclear nonhistone proteins. Visualizing the nuclear matrix using resinless sections shows that nuclear RNA plays an important role in matrix organization. Conventional Epon-embedded electron microscopy sections show comparatively little of the RNP-containing and RNP-depleted nuclear matrix structure. In contrast, resinless sections show matrix interior to be a three-dimensional network of thick filaments bounded by the nuclear lamina. The filaments are covered with 20-30-nm electron dense particles which may contain the hnRNA. The large electron dense bodies, enmeshed in the interior matrix fibers, have the characteristic morphology of nucleoli. Treatment of the nuclear matrix with RNAase results in the aggregation of the interior fibers and the extensive loss of the 20-30-nm particles.(ABSTRACT TRUNCATED AT 400 WORDS) PMID:3700470

Dynamic nuclear polarization in a magnetic resonance force microscope experiment.

PubMed

Issac, Corinne E; Gleave, Christine M; Nasr, Paméla T; Nguyen, Hoang L; Curley, Elizabeth A; Yoder, Jonilyn L; Moore, Eric W; Chen, Lei; Marohn, John A

2016-04-07

We report achieving enhanced nuclear magnetization in a magnetic resonance force microscope experiment at 0.6 tesla and 4.2 kelvin using the dynamic nuclear polarization (DNP) effect. In our experiments a microwire coplanar waveguide delivered radiowaves to excite nuclear spins and microwaves to excite electron spins in a 250 nm thick nitroxide-doped polystyrene sample. Both electron and proton spin resonance were observed as a change in the mechanical resonance frequency of a nearby cantilever having a micron-scale nickel tip. NMR signal, not observable from Curie-law magnetization at 0.6 T, became observable when microwave irradiation was applied to saturate the electron spins. The resulting NMR signal's size, buildup time, dependence on microwave power, and dependence on irradiation frequency was consistent with a transfer of magnetization from electron spins to nuclear spins. Due to the presence of an inhomogeneous magnetic field introduced by the cantilever's magnetic tip, the electron spins in the sample were saturated in a microwave-resonant slice 10's of nm thick. The spatial distribution of the nuclear polarization enhancement factor ε was mapped by varying the frequency of the applied radiowaves. The observed enhancement factor was zero for spins in the center of the resonant slice, was ε = +10 to +20 for spins proximal to the magnet, and was ε = -10 to -20 for spins distal to the magnet. We show that this bipolar nuclear magnetization profile is consistent with cross-effect DNP in a ∼10(5) T m(-1) magnetic field gradient. Potential challenges associated with generating and using DNP-enhanced nuclear magnetization in a nanometer-resolution magnetic resonance imaging experiment are elucidated and discussed.

Bias voltage dependence of the electron spin depolarization in quantum wires in the quantum Hall regime detected by the resistively detected NMR

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chida, K.; Yamauchi, Y.; Arakawa, T.

2013-12-04

We performed the resistively-detected nuclear magnetic resonance (RDNMR) to study the electron spin polarization in the non-equilibrium quantum Hall regime. By measuring the Knight shift, we derive source-drain bias voltage dependence of the electron spin polarization in quantum wires. The electron spin polarization shows minimum value around the threshold voltage of the dynamic nuclear polarization.

The role of electronic energy loss in ion beam modification of materials

DOE PAGES

Weber, William J.; Duffy, Dorothy M.; Thome, Lionel; ...

2014-10-05

The interaction of energetic ions with solids results in energy loss to both atomic nuclei and electrons in the solid. In this article, recent advances in understanding and modeling the additive and competitive effects of nuclear and electronic energy loss on the response of materials to ion irradiation are reviewed. Experimental methods and large-scale atomistic simulations are used to study the separate and combined effects of nuclear and electronic energy loss on ion beam modification of materials. The results demonstrate that nuclear and electronic energy loss can lead to additive effects on irradiation damage production in some materials; while inmore » other materials, the competitive effects of electronic energy loss leads to recovery of damage induced by elastic collision cascades. Lastly, these results have significant implications for ion beam modification of materials, non-thermal recovery of ion implantation damage, and the response of materials to extreme radiation environments.« less

Influence of the nuclear Zeeman effect on mode locking in pulsed semiconductor quantum dots

NASA Astrophysics Data System (ADS)

Beugeling, Wouter; Uhrig, Götz S.; Anders, Frithjof B.

2017-09-01

The coherence of the electron spin in a semiconductor quantum dot is strongly enhanced by mode locking through nuclear focusing, where the synchronization of the electron spin to periodic pulsing is slowly transferred to the nuclear spins of the semiconductor material, mediated by the hyperfine interaction between these. The external magnetic field that drives the Larmor oscillations of the electron spin also subjects the nuclear spins to a Zeeman-like coupling, albeit a much weaker one. For typical magnetic fields used in experiments, the energy scale of the nuclear Zeeman effect is comparable to that of the hyperfine interaction, so that it is not negligible. In this work, we analyze the influence of the nuclear Zeeman effect on mode locking quantitatively. Within a perturbative framework, we calculate the Overhauser-field distribution after a prolonged period of pulsing. We find that the nuclear Zeeman effect can exchange resonant and nonresonant frequencies. We distinguish between models with a single type and with multiple types of nuclei. For the latter case, the positions of the resonances depend on the individual g factors, rather than on the average value.

Quenching of dynamic nuclear polarization by spin-orbit coupling in GaAs quantum dots.

PubMed

Nichol, John M; Harvey, Shannon P; Shulman, Michael D; Pal, Arijeet; Umansky, Vladimir; Rashba, Emmanuel I; Halperin, Bertrand I; Yacoby, Amir

2015-07-17

The central-spin problem is a widely studied model of quantum decoherence. Dynamic nuclear polarization occurs in central-spin systems when electronic angular momentum is transferred to nuclear spins and is exploited in quantum information processing for coherent spin manipulation. However, the mechanisms limiting this process remain only partially understood. Here we show that spin-orbit coupling can quench dynamic nuclear polarization in a GaAs quantum dot, because spin conservation is violated in the electron-nuclear system, despite weak spin-orbit coupling in GaAs. Using Landau-Zener sweeps to measure static and dynamic properties of the electron spin-flip probability, we observe that the size of the spin-orbit and hyperfine interactions depends on the magnitude and direction of applied magnetic field. We find that dynamic nuclear polarization is quenched when the spin-orbit contribution exceeds the hyperfine, in agreement with a theoretical model. Our results shed light on the surprisingly strong effect of spin-orbit coupling in central-spin systems.

Nuclear spin cooling by electric dipole spin resonance and coherent population trapping

NASA Astrophysics Data System (ADS)

Li, Ai-Xian; Duan, Su-Qing; Zhang, Wei

2017-09-01

Nuclear spin fluctuation suppression is a key issue in preserving electron coherence for quantum information/computation. We propose an efficient way of nuclear spin cooling in semiconductor quantum dots (QDs) by the coherent population trapping (CPT) and the electric dipole spin resonance (EDSR) induced by optical fields and ac electric fields. The EDSR can enhance the spin flip-flop rate and may bring out bistability under certain conditions. By tuning the optical fields, we can avoid the EDSR induced bistability and obtain highly polarized nuclear spin state, which results in long electron coherence time. With the help of CPT and EDSR, an enhancement of 1500 times of the electron coherence time can been obtained after a 500 ns preparation time.

SPiRIT-TPC with GET readout electronics for the study of density dependent symmetry energy of high dense matter with Heavy RI collisions

NASA Astrophysics Data System (ADS)

Isobe, Tadaaki; SPiRIT Collaboration

2014-09-01

The nuclear Equation of State (EoS) is a fundamental property of nuclear matter that describes the relationships between the parameters for a nuclear system, such as energy, density and temperature. An international collaboration, named SPiRIT, to study the nuclear EoS has been formed recently. One of the main devices of experimental setup is a Time Projection Chamber (TPC) which will be installed into the SAMURAI dipole magnet at RIKEN-RIBF. The TPC can measure charged pions, protons and light ions simultaneously in heavy RI collisions, and those will be used as probes to study the asymmetric dense nuclear matter. In addition to the status of the SPiRIT project, testing of SPiRIT-TPC with GET electronics will be presented in this talk. GET, general electronics for TPC, is a project for the development of novel electronics for TPC supported by NSF and ANR. This work is supported in part by the Japan Grant-in-Aide award and the US DOE grant DE-SC0004835 and JUSEIPEN.

Selective coupling of individual electron and nuclear spins with integrated all-spin coherence protection

NASA Astrophysics Data System (ADS)

Terletska, Hanna; Dobrovitski, Viatcheslav

2015-03-01

The electron spin of the NV center in diamond is a promising platform for spin sensing. Applying the dynamical decoupling, the NV electron spin can be used to detect the individual weakly coupled carbon-13 nuclear spins in diamond and employ them for small-scale quantum information processing. However, the nuclear spins within this approach remain unprotected from decoherence, which ultimately limits the detection and restricts the fidelity of the quantum operation. Here we investigate possible schemes for combining the resonant decoupling on the NV spin with the decoherence protection of the nuclear spins. Considering several schemes based on pulse and continuous-wave decoupling, we study how the joint electron-nuclear spin dynamics is affected. We identify regimes where the all-spin coherence protection improves the detection and manipulation. We also discuss potential applications of the all-spin decoupling for detecting spins outside diamond, with the purpose of implementing the nanoscale NMR. This work was supported by the US Department of Energy Basic Energy Sciences (Contract No. DE-AC02-07CH11358).

Coherent manipulation of an NV center and one carbon nuclear spin

DOE Office of Scientific and Technical Information (OSTI.GOV)

Scharfenberger, Burkhard; Nemoto, Kae; Munro, William J.

2014-12-04

We study a three-qubit system formed by the NV center’s electronic and nuclear spin plus an adjacent spin 1/2 carbon {sup 13}C. Specifically, we propose a manipulation scheme utilizing the hyperfine coupling of the effective S=1 degree of freedom of the vacancy electrons to the two adjacent nuclear spins to achieve accurate coherent control of all three qubits.

On the Mass of Atoms in Molecules: Beyond the Born-Oppenheimer Approximation

NASA Astrophysics Data System (ADS)

Scherrer, Arne; Agostini, Federica; Sebastiani, Daniel; Gross, E. K. U.; Vuilleumier, Rodolphe

2017-07-01

Describing the dynamics of nuclei in molecules requires a potential energy surface, which is traditionally provided by the Born-Oppenheimer or adiabatic approximation. However, we also need to assign masses to the nuclei. There, the Born-Oppenheimer picture does not account for the inertia of the electrons, and only bare nuclear masses are considered. Nowadays, experimental accuracy challenges the theoretical predictions of rotational and vibrational spectra and requires the participation of electrons in the internal motion of the molecule. More than 80 years after the original work of Born and Oppenheimer, this issue has still not been solved, in general. Here, we present a theoretical and numerical framework to address this problem in a general and rigorous way. Starting from the exact factorization of the electron-nuclear wave function, we include electronic effects beyond the Born-Oppenheimer regime in a perturbative way via position-dependent corrections to the bare nuclear masses. This maintains an adiabaticlike point of view: The nuclear degrees of freedom feel the presence of the electrons via a single potential energy surface, whereas the inertia of electrons is accounted for and the total mass of the system is recovered. This constitutes a general framework for describing the mass acquired by slow degrees of freedom due to the inertia of light, bounded particles; thus, it is applicable not only in electron-nuclear systems but in light-heavy nuclei or ions as well. We illustrate this idea with a model of proton transfer, where the light particle is the proton and the heavy particles are the oxygen atoms to which the proton is bounded. Inclusion of the light-particle inertia allows us to gain orders of magnitude in accuracy. The electron-nuclear perspective is adopted, instead, to calculate position-dependent mass corrections using density functional theory for a few polyatomic molecules at their equilibrium geometry. These data can serve as input for the computation of high-precision molecular spectra.

Nuclear Science Symposium, 31st and Symposium on Nuclear Power Systems, 16th, Orlando, FL, October 31-November 2, 1984, Proceedings

NASA Technical Reports Server (NTRS)

Biggerstaff, J. A. (Editor)

1985-01-01

Topics related to physics instrumentation are discussed, taking into account cryostat and electronic development associated with multidetector spectrometer systems, the influence of materials and counting-rate effects on He-3 neutron spectrometry, a data acquisition system for time-resolved muscle experiments, and a sensitive null detector for precise measurements of integral linearity. Other subjects explored are concerned with space instrumentation, computer applications, detectors, instrumentation for high energy physics, instrumentation for nuclear medicine, environmental monitoring and health physics instrumentation, nuclear safeguards and reactor instrumentation, and a 1984 symposium on nuclear power systems. Attention is given to the application of multiprocessors to scientific problems, a large-scale computer facility for computational aerodynamics, a single-board 32-bit computer for the Fastbus, the integration of detector arrays and readout electronics on a single chip, and three-dimensional Monte Carlo simulation of the electron avalanche in a proportional counter.

Nuclear quantum effects in electronically adiabatic quantum time correlation functions: Application to the absorption spectrum of a hydrated electron

NASA Astrophysics Data System (ADS)

Turi, László; Hantal, György; Rossky, Peter J.; Borgis, Daniel

2009-07-01

A general formalism for introducing nuclear quantum effects in the expression of the quantum time correlation function of an operator in a multilevel electronic system is presented in the adiabatic limit. The final formula includes the nuclear quantum time correlation functions of the operator matrix elements, of the energy gap, and their cross terms. These quantities can be inferred and evaluated from their classical analogs obtained by mixed quantum-classical molecular dynamics simulations. The formalism is applied to the absorption spectrum of a hydrated electron, expressed in terms of the time correlation function of the dipole operator in the ground electronic state. We find that both static and dynamic nuclear quantum effects distinctly influence the shape of the absorption spectrum, especially its high energy tail related to transitions to delocalized electron states. Their inclusion does improve significantly the agreement between theory and experiment for both the low and high frequency edges of the spectrum. It does not appear sufficient, however, to resolve persistent deviations in the slow Lorentzian-like decay part of the spectrum in the intermediate 2-3 eV region.

Space nuclear power systems; Proceedings of the 8th Symposium, Albuquerque, NM, Jan. 6-10, 1991. Pts. 1-3

NASA Astrophysics Data System (ADS)

El-Genk, Mohamed S.; Hoover, Mark D.

1991-07-01

The present conference discusses NASA mission planning for space nuclear power, lunar mission design based on nuclear thermal rockets, inertial-electrostatic confinement fusion for space power, nuclear risk analysis of the Ulysses mission, the role of the interface in refractory metal alloy composites, an advanced thermionic reactor systems design code, and space high power nuclear-pumped lasers. Also discussed are exploration mission enhancements with power-beaming, power requirement estimates for a nuclear-powered manned Mars rover, SP-100 reactor design, safety, and testing, materials compatibility issues for fabric composite radiators, application of the enabler to nuclear electric propulsion, orbit-transfer with TOPAZ-type power sources, the thermoelectric properties of alloys, ruthenium silicide as a promising thermoelectric material, and innovative space-saving device for high-temperature piping systems. The second volume of this conference discusses engine concepts for nuclear electric propulsion, nuclear technologies for human exploration of the solar system, dynamic energy conversion, direct nuclear propulsion, thermionic conversion technology, reactor and power system control, thermal management, thermionic research, effects of radiation on electronics, heat-pipe technology, radioisotope power systems, and nuclear fuels for power reactors. The third volume discusses space power electronics, space nuclear fuels for propulsion reactors, power systems concepts, space power electronics systems, the use of artificial intelligence in space, flight qualifications and testing, microgravity two-phase flow, reactor manufacturing and processing, and space and environmental effects. (For individual items see A93-13752 to A93-13937)

Dynamic nuclear polarisation via the integrated solid effect II: experiments on naphthalene-h8 doped with pentacene-d14

NASA Astrophysics Data System (ADS)

Eichhorn, T. R.; van den Brandt, B.; Hautle, P.; Henstra, A.; Wenckebach, W. Th.

2014-07-01

In dynamic nuclear polarisation (DNP), also called hyperpolarisation, a small amount of unpaired electron spins is added to the sample containing the nuclear spins, and the polarisation of these unpaired electron spins is transferred to the nuclear spins by means of a microwave field. Traditional DNP polarises the electron spin of stable paramagnetic centres by cooling down to low temperature and applying a strong magnetic field. Then weak continuous wave microwave fields are used to induce the polarisation transfer. Complicated cryogenic equipment and strong magnets can be avoided using short-lived photo-excited triplet states that are strongly aligned in the optical excitation process. However, a much faster transfer of the electron spin polarisation is needed and pulsed DNP methods like nuclear orientation via electron spin locking (NOVEL) and the integrated solid effect (ISE) are used. To describe the polarisation transfer with the strong microwave fields in NOVEL and ISE, the usual perturbation methods cannot be used anymore. In the previous paper, we presented a theoretical approach to calculate the polarisation transfer in ISE. In the present paper, the theory is applied to the system naphthalene-h8 doped with pentacene-d14 yielding the photo-excited triplet states and compared with experimental results.

Applications Using High Flux LCS gamma-ray Beams: Nuclear Security and Contributions to Fukushima

NASA Astrophysics Data System (ADS)

Fujiwara, Mamoru

2014-09-01

Nuclear nonproliferation and security are an important issue for the peaceful use of nuclear energy. Many countries now collaborate together for preventing serious accidents from nuclear terrorism. Detection of hidden long-lived radioisotopes and fissionable nuclides in a non-destructive manner is useful for nuclear safeguards and management of nuclear wastes as well as nuclear security. After introducing the present situation concerning the nuclear nonproliferation and security in Japan, we plan to show the present activities of JAEA to detect the hidden nuclear materials by means of the nuclear resonance fluorescence with energy-tunable, monochromatic gamma-rays generated by Laser Compton Scattering (LCS) with an electron beam. The energy recovery linac (ERL) machine is now under development with the KEK-JAEA collaboration for realizing the new generation of gamma-ray sources. The detection technologies of nuclear materials are currently developed using the existing electron beam facilities at Duke University and at NewSubaru. These developments in Japan will contribute to the nuclear security program in Japan and to the assay of melted nuclear fuels in the Fukushima Daiichi nuclear power plants.

Ultrafast electronic dynamics driven by nuclear motion

NASA Astrophysics Data System (ADS)

Vendrell, Oriol

2016-05-01

The transfer of electrical charge on a microscopic scale plays a fundamental role in chemistry, in biology, and in technological applications. In this contribution, we will discuss situations in which nuclear motion plays a central role in driving the electronic dynamics of photo-excited or photo-ionized molecular systems. In particular, we will explore theoretically the ultrafast transfer of a double electron hole between the functional groups of glycine after K-shell ionization and subsequent Auger decay. Although a large energy gap of about 15 eV initially exists between the two electronic states involved and coherent electronic dynamics play no role in the hole transfer, we will illustrate how the double hole can be transferred within 3 to 4 fs between both functional ends of the glycine molecule driven solely by specific nuclear displacements and non-Born-Oppenheimer effects. This finding challenges the common wisdom that nuclear dynamics of the molecular skeleton are unimportant for charge transfer processes at the few-femtosecond time scale and shows that they can even play a prominent role. We thank the Hamburg Centre for Ultrafast Imaging and the Volkswagen Foundation for financial support.

Energetic electron processes fluorescence effects for structured nanoparticles X-ray analysis and nuclear medicine applications

NASA Astrophysics Data System (ADS)

Taborda, A.; Desbrée, A.; Carvalho, A.; Chaves, P. C.; Reis, M. A.

2016-08-01

Superparamagnetic iron oxide (SPIO) nanoparticles are widely used as contrast agents for nuclear magnetic resonance imaging (MRI), and can be modified for improved imaging or to become tissue-specific or even protein-specific. The knowledge of their detailed elemental composition characterisation and potential use in nuclear medicine applications, is, therefore, an important issue. X-ray fluorescence techniques such as particle induced X-ray emission (PIXE) or X-ray fluorescence spectrometry (XRF), can be used for elemental characterisation even in problematic situations where very little sample volume is available. Still, the fluorescence coefficient of Fe is such that, during the decay of the inner-shell ionised atomic structure, keV Auger electrons are produced in excess to X-rays. Since cross-sections for ionisation induced by keV electrons, for low atomic number atoms, are of the order of 103 barn, care should be taken to account for possible fluorescence effects caused by Auger electrons, which may lead to the wrong quantification of elements having atomic number lower than the atomic number of Fe. Furthermore, the same electron processes will occur in iron oxide nanoparticles containing 57Co, which may be used for nuclear medicine therapy purposes. In the present work, simple approximation algorithms are proposed for the quantitative description of radiative and non-radiative processes associated with Auger electrons cascades. The effects on analytical processes and nuclear medicine applications are quantified for the case of iron oxide nanoparticles, by calculating both electron fluorescence emissions and energy deposition on cell tissues where the nanoparticles may be embedded.

Voltage-selective bidirectional polarization and coherent rotation of nuclear spins in quantum dots.

PubMed

Takahashi, R; Kono, K; Tarucha, S; Ono, K

2011-07-08

We propose and demonstrate that the nuclear spins of the host lattice in GaAs double quantum dots can be polarized in either of two opposite directions, parallel or antiparallel to an external magnetic field. The direction is selected by adjusting the dc voltage. This nuclear polarization manifests itself by repeated controlled electron-nuclear spin scattering in the Pauli spin-blockade state. Polarized nuclei are also controlled by means of nuclear magnetic resonance. This Letter confirms that the nuclear spins in quantum dots are long-lived quantum states with a coherence time of up to 1 ms, and may be a promising resource for quantum-information processing such as quantum memories for electron spin qubits.

Nuclear Excitation by Electronic Transition of U-235

NASA Astrophysics Data System (ADS)

Chodash, Perry

2017-01-01

Nuclear excitation by electronic transition (NEET) is a rare nuclear excitation that is theorized to exist in numerous isotopes. NEET is the inverse of bound internal conversion and occurs when an electronic transition couples to a nuclear transition causing the nucleus to enter an excited state. This process can only occur for isotopes with low-lying nuclear levels due to the requirement that the electronic and nuclear transitions have similar energies. One of the candidate isotopes for NEET, 235U, has been studied several times over the past 40 years and NEET of 235U has never been conclusively observed. These past experiments generated conflicting results with some experiments claiming to observe NEET of 235U and others setting limits for the NEET rate. If NEET of 235U were to occur, the uranium would be excited to its first excited nuclear state. The first excited nuclear state in 235U is only 76 eV, the second lowest known nuclear state. Additionally, the 76 eV state is a nuclear isomer that decays by internal conversion with a half-life of 26 minutes. In order to measure whether NEET occurs in 235U and at what rate, a uranium plasma was required. The plasma was generated using a Q-switched Nd:YAG laser outputting 789 mJ pulses of 1064 nm light. The laser light was focused onto uranium targets generating an intensity on target of order 1012 W/cm2. The resulting plasma was captured on a catcher plate and electrons emitted from the catcher plate were accelerated and focused onto a microchannel plate detector. Measurements performed using a variety of uranium targets spanning depleted uranium up to 99.4% enriched uranium did not observe a 26 minute decay. An upper limit for the NEET rate of 235U was determined. This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. The U.S. DHS, UC Berkeley, the NNIS fellowship and the NSSC further supported this work.

Confinement and Diffusion Effects in Dynamical Nuclear Polarization in Low Dimensional Nanostructures

NASA Astrophysics Data System (ADS)

Henriksen, Dan; Tifrea, Ionel

2012-02-01

We investigate the dynamic nuclear polarization as it results from the hyperfine coupling between nonequilibrium electronic spins and nuclear spins in semiconductor nanostructures. The natural confinement provided by low dimensional nanostructures is responsible for an efficient nuclear spin - electron spin hyperfine coupling [1] and for a reduced value of the nuclear spin diffusion constant [2]. In the case of optical pumping, the induced nuclear spin polarization is position dependent even in the presence of nuclear spin diffusion. This effect should be measurable via optically induced nuclear magnetic resonance or time-resolved Faraday rotation experiments. We discuss the implications of our calculations for the case of GaAs quantum well structures.[4pt] [1] I. Tifrea and M. E. Flatt'e, Phys. Rev. B 84, 155319 (2011).[0pt] [2] A. Malinowski and R. T. Harley, Solid State Commun. 114, 419 (2000).

The Effect of Electronic Paramagnetism on Nuclear Magnetic Resonance Frequencies in Metals

DOE R&D Accomplishments Database

Townes, C. H.; Herring, C.; Knight, W. D.

1950-09-22

Observations on the shifts of nuclear resonances in metals ( Li{sup 7}, Na{sup 23}, Cu {sup 63}, Be{sup 9}, Pb{sup 207}, Al{sup 27}, and Ca{sup 69} ) due to free electron paramagnetism; comparison with theoretical values.

Algorithm for quantum-mechanical finite-nuclear-mass variational calculations of atoms with two p electrons using all-electron explicitly correlated Gaussian basis functions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sharkey, Keeper L.; Pavanello, Michele; Bubin, Sergiy

2009-12-15

A new algorithm for calculating the Hamiltonian matrix elements with all-electron explicitly correlated Gaussian functions for quantum-mechanical calculations of atoms with two p electrons or a single d electron have been derived and implemented. The Hamiltonian used in the approach was obtained by rigorously separating the center-of-mass motion and it explicitly depends on the finite mass of the nucleus. The approach was employed to perform test calculations on the isotopes of the carbon atom in their ground electronic states and to determine the finite-nuclear-mass corrections for these states.

Decoherence and fluctuation dynamics of the quantum dot nuclear spin bath probed by nuclear magnetic resonance

NASA Astrophysics Data System (ADS)

Chekhovich, Evgeny A.

2017-06-01

Dynamics of nuclear spin decoherence and nuclear spin flip-flops in self-assembled InGaAs/GaAs quantum dots are studied experimentally using optically detected nuclear magnetic resonance (NMR). Nuclear spin-echo decay times are found to be in the range 1-4 ms. This is a factor of ~3 longer than in strain-free GaAs/AlGaAs structures and is shown to result from strain-induced quadrupolar effects that suppress nuclear spin flip-flops. The correlation times of the flip-flops are examined using a novel frequency-comb NMR technique and are found to exceed 1 s, a factor of ~1000 longer than in strain-free structures. These findings complement recent studies of electron spin coherence and reveal the paradoxical dual role of the quadrupolar effects in self-assembled quantum dots: large increase of the nuclear spin bath coherence and at the same time significant reduction of the electron spin-qubit coherence. Approaches to increasing electron spin coherence are discussed. In particular the nanohole filled GaAs/AlGaAs quantum dots are an attractive option: while their optical quality matches the self-assembled dots the quadrupolar effects measured in NMR spectra are a factor of 1000 smaller.

77 FR 18873 - Sunshine Act Meeting

Federal Register 2010, 2011, 2012, 2013, 2014

2012-03-28

.... Entergy Nuclear Generation Co. and Entergy Nuclear Operations, Inc. (Pilgrim Nuclear Power Station... will be made on a case-by-case basis. * * * * * This notice is distributed electronically to...

229Thorium-doped calcium fluoride for nuclear laser spectroscopy.

PubMed

Dessovic, P; Mohn, P; Jackson, R A; Winkler, G; Schreitl, M; Kazakov, G; Schumm, T

2014-03-12

The (229)thorium isotope presents an extremely low-energy isomer state of the nucleus which is expected around 7.8 eV, in the vacuum ultraviolet (VUV) regime. This unique system may bridge between atomic and nuclear physics, enabling coherent manipulation and precision spectroscopy of nuclear quantum states using laser light. It has been proposed to implant (229)thorium into VUV transparent crystal matrices to facilitate laser spectroscopy and possibly realize a solid-state nuclear clock. In this work, we validate the feasibility of this approach by computer modelling of thorium doping into calcium fluoride single crystals. Using atomistic modelling and full electronic structure calculations, we find a persistent large band gap and no additional electronic levels emerging in the middle of the gap due to the presence of the dopant, which should allow direct optical interrogation of the nuclear transition.Based on the electronic structure, we estimate the thorium nuclear quantum levels within the solid-state environment. Precision laser spectroscopy of these levels will allow the study of a broad range of crystal field effects, transferring Mössbauer spectroscopy into the optical regime.

Minimal color-flavor-locked-nuclear interface

NASA Astrophysics Data System (ADS)

Alford, Mark; Rajagopal, Krishna; Reddy, Sanjay; Wilczek, Frank

2001-10-01

At nuclear matter density, electrically neutral strongly interacting matter in weak equilibrium is made of neutrons, protons, and electrons. At sufficiently high density, such matter is made of up, down, and strange quarks in the color-flavor-locked (CFL) phase, with no electrons. As a function of increasing density (or, perhaps, increasing depth in a compact star) other phases may intervene between these two phases, which are guaranteed to be present. The simplest possibility, however, is a single first order phase transition between CFL and nuclear matter. Such a transition, in space, could take place either through a mixed phase region or at a single sharp interface with electron-free CFL and electron-rich nuclear matter in stable contact. Here we construct a model for such an interface. It is characterized by a region of separated charge, similar to an inversion layer at a metal-insulator boundary. On the CFL side, the charged boundary layer is dominated by a condensate of negative kaons. We then consider the energetics of the mixed phase alternative. We find that the mixed phase will occur only if the nuclear-CFL surface tension is significantly smaller than dimensional analysis would indicate.

Density functional theory of electron transfer beyond the Born-Oppenheimer approximation: Case study of LiF

NASA Astrophysics Data System (ADS)

Li, Chen; Requist, Ryan; Gross, E. K. U.

2018-02-01

We perform model calculations for a stretched LiF molecule, demonstrating that nonadiabatic charge transfer effects can be accurately and seamlessly described within a density functional framework. In alkali halides like LiF, there is an abrupt change in the ground state electronic distribution due to an electron transfer at a critical bond length R = Rc, where an avoided crossing of the lowest adiabatic potential energy surfaces calls the validity of the Born-Oppenheimer approximation into doubt. Modeling the R-dependent electronic structure of LiF within a two-site Hubbard model, we find that nonadiabatic electron-nuclear coupling produces a sizable elongation of the critical Rc by 0.5 bohr. This effect is very accurately captured by a simple and rigorously derived correction, with an M-1 prefactor, to the exchange-correlation potential in density functional theory, M = reduced nuclear mass. Since this nonadiabatic term depends on gradients of the nuclear wave function and conditional electronic density, ∇Rχ(R) and ∇Rn(r, R), it couples the Kohn-Sham equations at neighboring R points. Motivated by an observed localization of nonadiabatic effects in nuclear configuration space, we propose a local conditional density approximation—an approximation that reduces the search for nonadiabatic density functionals to the search for a single function y(n).

Nuclear Spin Locking and Extended Two-Electron Spin Decoherence Time in an InAs Quantum Dot Molecule

NASA Astrophysics Data System (ADS)

Chow, Colin; Ross, Aaron; Steel, Duncan; Sham, L. J.; Bracker, Allan; Gammon, Daniel

2015-03-01

The spin eigenstates for two electrons confined in a self-assembled InAs quantum dot molecule (QDM) consist of the spin singlet state, S, with J = 0 and the triplet states T-, T0 and T+, with J = 1. When a transverse magnetic field (Voigt geometry) is applied, the two-electron system can be initialized to the different states with appropriate laser excitation. Under the excitation of a weak probe laser, non-Lorentzian lineshapes are obtained when the system is initialized to either T- or T+, where T- results in a ``resonance locking'' lineshape while T+ gives a ``resonance avoiding '' lineshape: two different manifestations of hysteresis showing the importance of memory in the system. These observations signify dynamic nuclear spin polarization (DNSP) arising from a feedback mechanism involving hyperfine interaction between lattice nuclei and delocalized electron spins, and Overhauser shift due to nuclear spin polarization. Using pump configurations that generate coherent population trapping, the isolation of the electron spin from the optical excitation shows the stabilization of the nuclear spin ensemble. The dark-state lineshape measures the lengthened electron spin decoherence time, from 1 ns to 1 μs. Our detailed spectra highlight the potential of QDM for realizing a two-qubit gate. This work is supported by NSF, ARO, AFOSR, DARPA, and ONR.

Study of modifications in the mechanical properties of sodium aluminoborosilicate glass induced by heavy ions and electrons

NASA Astrophysics Data System (ADS)

Chen, L.; Yuan, W.; Nan, S.; Du, X.; Zhang, D. F.; Lv, P.; Peng, H. B.; Wang, T. S.

2016-03-01

Radiation effects on the mechanical properties of sodium aluminoborosilicate glass induced by 4 MeV Kr, 5 MeV Xe ions and 1.2 MeV electrons have been investigated by nano-indentation measurements. Raman and electron paramagnetic resonance (EPR) spectroscopies were used to characterize the microstructure evolution of electron irradiated samples. The nano-indentation results indicated that the mean hardness was reduced by 12.8%, and the mean reduced Young modulus was increased by 3.5% after heavy ion irradiation. Both the hardness and reduced Young modulus variations reached stabilization when the nuclear deposited energy was around 3 × 1021 keVnucl/cm3. Although decreases of hardness (about 6.6%) and reduced Young modulus (about 3.1%) were also observed when the deposited electronic energy reached approximately 1.5 × 1022 keVelec/cm3 after electron irradiation, the results still emphasized that the nuclear energy deposition is the major factor for the evolution in the hardness and modulus of the sodium aluminoborosilicate glass under ion irradiation, rather than a synergy process of the electronic and nuclear energy depositions.

Correlated electron-nuclear dissociation dynamics: classical versus quantum motion

NASA Astrophysics Data System (ADS)

Schaupp, Thomas; Albert, Julian; Engel, Volker

2017-01-01

We investigate the coupled electron-nuclear dynamics in a model system which undergoes dissociation. In choosing different initial conditions, the cases of adiabatic and non-adiabatic dissociation are realized. We treat the coupled electronic and nuclear motion in the complete configuration space so that classically, no surface hopping procedures have to be incorporated in the case that more than a single adiabatic electronic state is populated during the fragmentation. Due to the anharmonic interaction potential, it is expected that classical mechanics substantially deviate from quantum mechanics. However, we provide examples where the densities and fragmentation yields obtained from the two treatments are in astonishingly strong agreement in the case that one starts in the electronic ground state initially. As expected, larger deviations are found if one starts in electronically excited states where trajectories are sampled from the more spatially extended electronic wave function. In that case, higher initial energies are accessed, and the motion proceeds in regions with increasing degree of anharmonicity. Contribution to the Topical Issue "Dynamics of Molecular Systems (MOLEC 2016)", edited by Alberto Garcia-Vela, Luis Banares and Maria Luisa Senent.

Additive effects of electronic and nuclear energy losses in irradiation-induced amorphization of zircon

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zarkadoula, Eva; Toulemonde, Marcel; Weber, William J.

2015-12-28

We used a combination of ion cascades and the unified thermal spike model to study the electronic effects from 800 keV Kr and Xe ion irradiation in zircon. We compared the damage production for four cases: (a) due to ion cascades alone, (b) due to ion cascades with the electronic energy loss activated as a friction term, (c) due to the thermal spike from the combined electronic and nuclear energy losses, and (d) due to ion cascades with electronic stopping and the electron-phonon interactions superimposed. We found that taking the electronic energy loss out as a friction term results in reducedmore » damage, while the electronic electron-phonon interactions have additive impact on the final damage created per ion.« less

Additive effects of electronic and nuclear energy loss in irradiation-induced amorphization of zircon

DOE PAGES

Zarkadoula, Eva; Toulemonde, Marcel; Weber, William J.

2015-12-29

We used a combination of ion cascades and the unified thermal spike model to study the electronic effects from 800 keV Kr and Xe ion irradiation in zircon. We compared the damage production for four cases: (a) due to ion cascades alone, (b) due to ion cascades with the electronic energy loss activated as a friction term, (c) due to the thermal spike from the combined electronic and nuclear energy losses, and (d) due to ion cascades with electronic stopping and the electron-phonon interactions superimposed. As a result, we found that taking the electronic energy loss out as a frictionmore » term results in reduced damage, while the electronic electron-phonon interactions have additive impact on the final damage created per ion.« less

Nonlocal Nuclear Spin Quieting in Quantum Dot Molecules: Optically Induced Extended Two-Electron Spin Coherence Time.

PubMed

Chow, Colin M; Ross, Aaron M; Kim, Danny; Gammon, Daniel; Bracker, Allan S; Sham, L J; Steel, Duncan G

2016-08-12

We demonstrate the extension of coherence between all four two-electron spin ground states of an InAs quantum dot molecule (QDM) via nonlocal suppression of nuclear spin fluctuations in two vertically stacked quantum dots (QDs), while optically addressing only the top QD transitions. Long coherence times are revealed through dark-state spectroscopy as resulting from nuclear spin locking mediated by the exchange interaction between the QDs. Line shape analysis provides the first measurement of the quieting of the Overhauser field distribution correlating with reduced nuclear spin fluctuations.

Nonlocal Nuclear Spin Quieting in Quantum Dot Molecules: Optically Induced Extended Two-Electron Spin Coherence Time

NASA Astrophysics Data System (ADS)

Chow, Colin M.; Ross, Aaron M.; Kim, Danny; Gammon, Daniel; Bracker, Allan S.; Sham, L. J.; Steel, Duncan G.

2016-08-01

We demonstrate the extension of coherence between all four two-electron spin ground states of an InAs quantum dot molecule (QDM) via nonlocal suppression of nuclear spin fluctuations in two vertically stacked quantum dots (QDs), while optically addressing only the top QD transitions. Long coherence times are revealed through dark-state spectroscopy as resulting from nuclear spin locking mediated by the exchange interaction between the QDs. Line shape analysis provides the first measurement of the quieting of the Overhauser field distribution correlating with reduced nuclear spin fluctuations.

Selective Optical Addressing of Nuclear Spins through Superhyperfine Interaction in Rare-Earth Doped Solids.

PubMed

Car, B; Veissier, L; Louchet-Chauvet, A; Le Gouët, J-L; Chanelière, T

2018-05-11

In Er^{3+}:Y_{2}SiO_{5}, we demonstrate the selective optical addressing of the ^{89}Y^{3+} nuclear spins through their superhyperfine coupling with the Er^{3+} electronic spins possessing large Landé g factors. We experimentally probe the electron-nuclear spin mixing with photon echo techniques and validate our model. The site-selective optical addressing of the Y^{3+} nuclear spins is designed by adjusting the magnetic field strength and orientation. This constitutes an important step towards the realization of long-lived solid-state qubits optically addressed by telecom photons.

Selective Optical Addressing of Nuclear Spins through Superhyperfine Interaction in Rare-Earth Doped Solids

NASA Astrophysics Data System (ADS)

Car, B.; Veissier, L.; Louchet-Chauvet, A.; Le Gouët, J.-L.; Chanelière, T.

2018-05-01

In Er3 +:Y2SiO5 , we demonstrate the selective optical addressing of the Y89 3 + nuclear spins through their superhyperfine coupling with the Er3 + electronic spins possessing large Landé g factors. We experimentally probe the electron-nuclear spin mixing with photon echo techniques and validate our model. The site-selective optical addressing of the Y3 + nuclear spins is designed by adjusting the magnetic field strength and orientation. This constitutes an important step towards the realization of long-lived solid-state qubits optically addressed by telecom photons.

Atmospheric emission of 137Cs82 from Beloyarsk nuclear power plant

NASA Astrophysics Data System (ADS)

Kolotkov, G. A.

2018-01-01

Citing Beloyarsk nuclear power plant (Russia) as an example, the problem of remote detection of radioactivity in the atmospheric pollution is examined. The comparative analysis of injected radionuclides into the atmosphere from the nuclear power plant with advanced fast neutron reactor is carried out. The main radionuclides throw out into the atmosphere from the nuclear power plant are beta-radionuclides. The secondary and tertiary spectra of beta-electrons decay for artificial radionuclide 137Cs82 is calculated, using Spencer-Fano’s equation. The averaged parameters of initial beta - electrons generated by 137Cs82 decay in the atmosphere is calculated.

High-fidelity readout and control of a nuclear spin qubit in silicon.

PubMed

Pla, Jarryd J; Tan, Kuan Y; Dehollain, Juan P; Lim, Wee H; Morton, John J L; Zwanenburg, Floris A; Jamieson, David N; Dzurak, Andrew S; Morello, Andrea

2013-04-18

Detection of nuclear spin precession is critical for a wide range of scientific techniques that have applications in diverse fields including analytical chemistry, materials science, medicine and biology. Fundamentally, it is possible because of the extreme isolation of nuclear spins from their environment. This isolation also makes single nuclear spins desirable for quantum-information processing, as shown by pioneering studies on nitrogen-vacancy centres in diamond. The nuclear spin of a (31)P donor in silicon is very promising as a quantum bit: bulk measurements indicate that it has excellent coherence times and silicon is the dominant material in the microelectronics industry. Here we demonstrate electrical detection and coherent manipulation of a single (31)P nuclear spin qubit with sufficiently high fidelities for fault-tolerant quantum computing. By integrating single-shot readout of the electron spin with on-chip electron spin resonance, we demonstrate quantum non-demolition and electrical single-shot readout of the nuclear spin with a readout fidelity higher than 99.8 percent-the highest so far reported for any solid-state qubit. The single nuclear spin is then operated as a qubit by applying coherent radio-frequency pulses. For an ionized (31)P donor, we find a nuclear spin coherence time of 60 milliseconds and a one-qubit gate control fidelity exceeding 98 percent. These results demonstrate that the dominant technology of modern electronics can be adapted to host a complete electrical measurement and control platform for nuclear-spin-based quantum-information processing.

Isomer depletion as experimental evidence of nuclear excitation by electron capture

NASA Astrophysics Data System (ADS)

Chiara, C. J.; Carroll, J. J.; Carpenter, M. P.; Greene, J. P.; Hartley, D. J.; Janssens, R. V. F.; Lane, G. J.; Marsh, J. C.; Matters, D. A.; Polasik, M.; Rzadkiewicz, J.; Seweryniak, D.; Zhu, S.; Bottoni, S.; Hayes, A. B.; Karamian, S. A.

2018-02-01

The atomic nucleus and its electrons are often thought of as independent systems that are held together in the atom by their mutual attraction. Their interaction, however, leads to other important effects, such as providing an additional decay mode for excited nuclear states, whereby the nucleus releases energy by ejecting an atomic electron instead of by emitting a γ-ray. This ‘internal conversion’ has been known for about a hundred years and can be used to study nuclei and their interaction with their electrons. In the inverse process—nuclear excitation by electron capture (NEEC)—a free electron is captured into an atomic vacancy and can excite the nucleus to a higher-energy state, provided that the kinetic energy of the free electron plus the magnitude of its binding energy once captured matches the nuclear energy difference between the two states. NEEC was predicted in 1976 and has not hitherto been observed. Here we report evidence of NEEC in molybdenum-93 and determine the probability and cross-section for the process in a beam-based experimental scenario. Our results provide a standard for the assessment of theoretical models relevant to NEEC, which predict cross-sections that span many orders of magnitude. The greatest practical effect of the NEEC process may be on the survival of nuclei in stellar environments, in which it could excite isomers (that is, long-lived nuclear states) to shorter-lived states. Such excitations may reduce the abundance of the isotope after its production. This is an example of ‘isomer depletion’, which has been investigated previously through other reactions, but is used here to obtain evidence for NEEC.

Activities of the DOE Nuclear Criticality Safety Program (NCSP) at the Oak Ridge Electron Linear Accelerator (ORELA)

NASA Astrophysics Data System (ADS)

Valentine, Timothy E.; Leal, Luiz C.; Guber, Klaus H.

2002-12-01

The Department of Energy established the Nuclear Criticality Safety Program (NCSP) in response to the Recommendation 97-2 by the Defense Nuclear Facilities Safety Board. The NCSP consists of seven elements of which nuclear data measurements and evaluations is a key component. The intent of the nuclear data activities is to provide high resolution nuclear data measurements that are evaluated, validated, and formatted for use by the nuclear criticality safety community to provide improved and reliable calculations for nuclear criticality safety evaluations. High resolution capture, fission, and transmission measurements are performed at the Oak Ridge Electron Linear Accelerator (ORELA) to address the needs of the criticality safety community and to address known deficiencies in nuclear data evaluations. The activities at ORELA include measurements on both light and heavy nuclei and have been used to identify improvements in measurement techniques that greatly improve the measurement of small capture cross sections. The measurement activities at ORELA provide precise and reliable high-resolution nuclear data for the nuclear criticality safety community.

75 FR 33855 - Sunshine Federal Register Notice

Federal Register 2010, 2011, 2012, 2013, 2014

2010-06-15

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78 FR 71675 - Update of the Office of Nuclear Reactor Regulation's Electronic Operating Reactor Correspondence

Federal Register 2010, 2011, 2012, 2013, 2014

2013-11-29

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Electronic structures of elements according to ionization energies.

PubMed

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.

Electronic response to nuclear breathing mode

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ludwig, Hendrik; Ruffini, Remo; ICRANet, University of Nice-Sophia Antipolis, 28 Av. de Valrose, 06103 Nice Cedex 2

2015-12-17

Based on our previous work on stationary oscillation modes of electrons around giant nuclei, we show how to treat a general driving force on the electron gas, such as the one generated by the breathing mode of the nucleus, by means of the spectral method. As an example we demonstrate this method for a system with Z = 10{sup 4} in β-equilibrium with the electrons compressed up to the nuclear radius. In this case the stationary modes can be obtained analytically, which allows for a very speedy numerical calculation of the final result.

The Demonstration of the Feasibility of the Tuning and Stimulation of Nuclear Radiation.

DTIC Science & Technology

1988-10-31

line, or the center of a resonance pattern, is called the isomer shift. It is due to the electrostatic interaction of the nucleus with the electron ...magnetic moment due to the presence of unpaired electrons , the material is either paramagnetic or ferromagnetic. In paramagnetic materials these moments...capture and fission.4,5,8 A very fertile interdisciplinary area of nuclear quantum electronics 7 appeared to be developing, encouraged by the

The Nuclear Arsenals of the US and USSR.

ERIC Educational Resources Information Center

Levi, Barbara G.

1983-01-01

Compares United States and Soviet nuclear arsenals, surveying strategic and tactical weapons the two countries have (includes chart detailing strategic nuclear arsenals). Also summarizes trends in nuclear weapons, including use of electronics in surveillance and in command, communication, and control structures. (JN)

Role of nuclear charge change and nuclear recoil on shaking processes and their possible implication on physical processes

NASA Astrophysics Data System (ADS)

Sharma, Prashant

2017-12-01

The probable role of the sudden nuclear charge change and nuclear recoil in the shaking processes during the neutron- or heavy-ion-induced nuclear reactions and weakly interacting massive particle-nucleus scattering has been investigated in the present work. Using hydrogenic wavefunctions, general analytical expressions of survival, shakeup/shakedown, and shakeoff probability have been derived for various subshells of hydrogen-like atomic systems. These expressions are employed to calculate the shaking, shakeup/shakedown, and shakeoff probabilities in some important cases of interest in the nuclear astrophysics and the dark matter search experiments. The results underline that the shaking processes are one of the probable channels of electronic transitions during the weakly interacting massive particle-nucleus scattering, which can be used to probe the dark matter in the sub-GeV regime. Further, it is found that the shaking processes initiating due to nuclear charge change and nuclear recoil during the nuclear reactions may influence the electronic configuration of the participating atomic systems and thus may affect the nuclear reaction measurements at astrophysically relevant energies.

Suppression of nuclear spin bath fluctuations in self-assembled quantum dots induced by inhomogeneous strain

PubMed Central

Chekhovich, E.A.; Hopkinson, M.; Skolnick, M.S.; Tartakovskii, A.I.

2015-01-01

Interaction with nuclear spins leads to decoherence and information loss in solid-state electron-spin qubits. One particular, ineradicable source of electron decoherence arises from decoherence of the nuclear spin bath, driven by nuclear–nuclear dipolar interactions. Owing to its many-body nature nuclear decoherence is difficult to predict, especially for an important class of strained nanostructures where nuclear quadrupolar effects have a significant but largely unknown impact. Here, we report direct measurement of nuclear spin bath coherence in individual self-assembled InGaAs/GaAs quantum dots: spin-echo coherence times in the range 1.2–4.5 ms are found. Based on these values, we demonstrate that strain-induced quadrupolar interactions make nuclear spin fluctuations much slower compared with lattice-matched GaAs/AlGaAs structures. Our findings demonstrate that quadrupolar effects can potentially be used to engineer optically active III-V semiconductor spin-qubits with a nearly noise-free nuclear spin bath, previously achievable only in nuclear spin-0 semiconductors, where qubit network interconnection and scaling are challenging. PMID:25704639

Two-parameter partially correlated ground-state electron density of some light spherical atoms from Hartree-Fock theory with nonintegral nuclear charge

DOE Office of Scientific and Technical Information (OSTI.GOV)

Cordero, Nicolas A.; March, Norman H.; Alonso, Julio A.

2007-05-15

Partially correlated ground-state electron densities for some spherical light atoms are calculated, into which nonrelativistic ionization potentials represent essential input data. The nuclear cusp condition of Kato is satisfied precisely. The basic theoretical starting point, however, is Hartree-Fock (HF) theory for the N electrons under consideration but with nonintegral nuclear charge Z{sup '} slightly different from the atomic number Z (=N). This HF density is scaled with a parameter {lambda}, near to unity, to preserve normalization. Finally, some tests are performed on the densities for the atoms Ne and Ar, as well as for Be and Mg.

Impulsive effects of phase-locked pulse pairs on nuclear motion in the electronic ground state

NASA Astrophysics Data System (ADS)

Cina, J. A.; Smith, T. J.

1993-06-01

The nonlinear effects of ultrashort phase-locked electronically resonant pulse pairs on the ground state nuclear motion are investigated theoretically. The pulse-pair propagator, momentum impulse, and displacement are determined in the weak field limit for pulse pairs separated by a time delay short on a nuclear time scale. Possible application to large amplitude vibrational excitation of the 104 cm-1 mode of α-perylene is considered and comparisons are made to other Raman excitation methods.

Communication: On the calculation of time-dependent electron flux within the Born-Oppenheimer approximation: A flux-flux reflection principle

NASA Astrophysics Data System (ADS)

Albert, Julian; Hader, Kilian; Engel, Volker

2017-12-01

It is commonly assumed that the time-dependent electron flux calculated within the Born-Oppenheimer (BO) approximation vanishes. This is not necessarily true if the flux is directly determined from the continuity equation obeyed by the electron density. This finding is illustrated for a one-dimensional model of coupled electronic-nuclear dynamics. There, the BO flux is in perfect agreement with the one calculated from a solution of the time-dependent Schrödinger equation for the coupled motion. A reflection principle is derived where the nuclear BO flux is mapped onto the electronic flux.

Electron-nuclear spin dynamics of Ga centers in GaAsN dilute nitride semiconductors probed by pump-probe spectroscopy

NASA Astrophysics Data System (ADS)

Sandoval-Santana, J. C.; Ibarra-Sierra, V. G.; Azaizia, S.; Carrère, H.; Bakaleinikov, L. A.; Kalevich, V. K.; Ivchenko, E. L.; Marie, X.; Amand, T.; Balocchi, A.; Kunold, A.

2018-03-01

We propose an experimental procedure to track the evolution of electronic and nuclear spins in Ga2+ centers in GaAsN dilute semiconductors. The method is based on a pump-probe scheme that enables to monitor the time evolution of the three components of the electronic and nuclear spin variables. In contrast to other characterization methods, as nuclear magnetic resonance, this one only needs moderate magnetic fields (B≈ 10 mT), and does not require microwave irradiation. Specifically, we carry out a series of tests for different experimental conditions in order to optimize the procedure for maximum sensitivity in the measurement of the circular degree of polarization. Based on previous experimental results and the theoretical calculations presented here, we estimate that the method could yield a time resolution of about 10ps.

Fast passage dynamic nuclear polarization on rotating solids

NASA Astrophysics Data System (ADS)

Mentink-Vigier, Frederic; Akbey, Ümit; Hovav, Yonatan; Vega, Shimon; Oschkinat, Hartmut; Feintuch, Akiva

2012-11-01

Magic Angle Spinning (MAS) Dynamic Nuclear Polarization (DNP) has proven to be a very powerful way to improve the signal to noise ratio of NMR experiments on solids. The experiments have in general been interpreted considering the Solid-Effect (SE) and Cross-Effect (CE) DNP mechanisms while ignoring the influence of sample spinning. In this paper, we show experimental data of MAS-DNP enhancements of 1H and 13C in proline and SH3 protein in glass forming water/glycerol solvent containing TOTAPOL. We also introduce a theoretical model that aims at explaining how the nuclear polarization is built in MAS-DNP experiments. By using Liouville space based simulations to include relaxation on two simple spin models, {electron-nucleus} and {electron-electron-nucleus}, we explain how the basic MAS-SE-DNP and MAS-CE-DNP processes work. The importance of fast energy passages and short level anti-crossing is emphasized and the differences between static DNP and MAS-DNP is explained. During a single rotor cycle the enhancement in the {electron-electron-nucleus} system arises from MAS-CE-DNP involving at least three kinds of two-level fast passages: an electron-electron dipolar anti-crossing, a single quantum electron MW encounter and an anti-crossing at the CE condition inducing nuclear polarization in- or decrements. Numerical, powder-averaged, simulations were performed in order to check the influence of the experimental parameters on the enhancement efficiencies. In particular we show that the spinning frequency dependence of the theoretical MAS-CE-DNP enhancement compares favorably with the experimental 1H and 13C MAS-DNP enhancements of proline and SH3.

Nonadiabatic effects in electronic and nuclear dynamics

PubMed Central

Bircher, Martin P.; Liberatore, Elisa; Browning, Nicholas J.; Brickel, Sebastian; Hofmann, Cornelia; Patoz, Aurélien; Unke, Oliver T.; Zimmermann, Tomáš; Chergui, Majed; Hamm, Peter; Keller, Ursula; Meuwly, Markus; Woerner, Hans-Jakob; Vaníček, Jiří; Rothlisberger, Ursula

2018-01-01

Due to their very nature, ultrafast phenomena are often accompanied by the occurrence of nonadiabatic effects. From a theoretical perspective, the treatment of nonadiabatic processes makes it necessary to go beyond the (quasi) static picture provided by the time-independent Schrödinger equation within the Born-Oppenheimer approximation and to find ways to tackle instead the full time-dependent electronic and nuclear quantum problem. In this review, we give an overview of different nonadiabatic processes that manifest themselves in electronic and nuclear dynamics ranging from the nonadiabatic phenomena taking place during tunnel ionization of atoms in strong laser fields to the radiationless relaxation through conical intersections and the nonadiabatic coupling of vibrational modes and discuss the computational approaches that have been developed to describe such phenomena. These methods range from the full solution of the combined nuclear-electronic quantum problem to a hierarchy of semiclassical approaches and even purely classical frameworks. The power of these simulation tools is illustrated by representative applications and the direct confrontation with experimental measurements performed in the National Centre of Competence for Molecular Ultrafast Science and Technology. PMID:29376108

Quantum treatment of protons with the reduced explicitly correlated Hartree-Fock approach

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sirjoosingh, Andrew; Pak, Michael V.; Brorsen, Kurt R.

2015-06-07

The nuclear-electronic orbital (NEO) approach treats select nuclei quantum mechanically on the same level as the electrons and includes nonadiabatic effects between the electrons and the quantum nuclei. The practical implementation of this approach is challenging due to the significance of electron-nucleus dynamical correlation. Herein, we present a general extension of the previously developed reduced NEO explicitly correlated Hartree-Fock (RXCHF) approach, in which only select electronic orbitals are explicitly correlated to each quantum nuclear orbital via Gaussian-type geminal functions. Approximations of the electronic exchange between the geminal-coupled electronic orbitals and the other electronic orbitals are also explored. This general approachmore » enables computationally tractable yet accurate calculations on molecular systems with quantum protons. The RXCHF method is applied to the hydrogen cyanide (HCN) and FHF{sup −} systems, where the proton and all electrons are treated quantum mechanically. For the HCN system, only the two electronic orbitals associated with the CH covalent bond are geminal-coupled to the proton orbital. For the FHF{sup −} system, only the four electronic orbitals associated with the two FH covalent bonds are geminal-coupled to the proton orbital. For both systems, the RXCHF method produces qualitatively accurate nuclear densities, in contrast to mean field-based NEO approaches. The development and implementation of the RXCHF method provide the framework to perform calculations on systems such as proton-coupled electron transfer reactions, where electron-proton nonadiabatic effects are important.« less

Nuclear magnetic resonance studies of DNP-ready trehalose obtained by solid state mechanochemical amorphization

NASA Astrophysics Data System (ADS)

Filibian, M.; Elisei, E.; Colombo Serra, S.; Rosso, A.; Tedoldi, F.; Cesàro, A.; Carretta, P.

$^1$H nuclear spin-lattice relaxation and Dynamic Nuclear Polarization (DNP) have been studied in amorphous samples of trehalose sugar doped with TEMPO radicals by means of mechanical milling, in the 1.6 K $\\div$ 4.2 K temperature range. The radical concentration was varied between 0.34 and 0.81 $\\%$. The highest polarization of 15 \\% at 1.6 K, observed in the sample with concentration $0.50 \\%$, is of the same order of magnitude of that reported in standard frozen solutions with TEMPO. The temperature and concentration dependence of the spin-lattice relaxation rate $1/T_{\\text{1}}$, dominated by the coupling with the electron spins, were found to follow power laws with an exponent close to $3$ in all samples. The observed proportionality between $1/T_{\\text{1}}$ and the polarization rate $1/T_{\\text{pol}}$, with a coefficient related to the electron polarization, is consistent with the presence of Thermal Mixing (TM) and a good contact between the nuclear and the electron spins. At high electron concentration additional relaxation channels causing a decrease in the nuclear polarization must be considered. These results provide further support for a more extensive use of amorphous DNP-ready samples, obtained by means of comilling, in dissolution DNP experiments and possibly for $\\textit{in vivo}$ metabolic imaging.

NDE of copper canisters for long-term storage of spent nuclear fuel from the Swedish nuclear power plants

NASA Astrophysics Data System (ADS)

Stepinski, Tadeusz

2003-07-01

Sweden has been intensively developing methods for long term storage of spent fuel from the nuclear power plants for twenty-five years. A dedicated research program has been initiated and conducted by the Swedish company SKB (Swedish Nuclear Fuels and Waste Management Co.). After the interim storage SKB plans to encapsulate spent nuclear fuel in copper canisters that will be placed at a deep repository located in bedrock. The canisters filled with fuel rods will be sealed by an electron beam weld. This paper presents three complementary NDE techniques used for assessing the sealing weld in copper canisters, radiography, ultrasound, and eddy current. A powerful X-ray source and a digital detector are used for the radiography. An ultrasonic array system consisting of a phased ultrasonic array and a multi-channel electronics is used for the ultrasonic examination. The array system enables electronic focusing and rapid electronic scanning eliminating the use of a complicated mechanical scanner. A specially designed eddy current probe capable of detecting small voids at the depth up to 4 mm in copper is used for the eddy current inspection. Presently, all the NDE techniques are verified in SKB's Canister Laboratory where full scale canisters are welded and examined.

Nuclear magnetic resonance studies of DNP-ready trehalose obtained by solid state mechanochemical amorphization.

PubMed

Filibian, M; Elisei, E; Colombo Serra, S; Rosso, A; Tedoldi, F; Cesàro, A; Carretta, P

2016-06-22

(1)H nuclear spin-lattice relaxation and Dynamic Nuclear Polarization (DNP) have been studied in amorphous samples of trehalose sugar doped with TEMPO radicals by means of mechanical milling, in the 1.6-4.2 K temperature range. The radical concentration was varied between 0.34 and 0.81%. The highest polarization of 15% at 1.6 K, observed in the sample with concentration 0.50%, is of the same order of magnitude of that reported in standard frozen solutions with TEMPO. The temperature and concentration dependence of the spin-lattice relaxation rate 1/T1, dominated by the coupling with the electron spins, were found to follow power laws with an exponent close to 3 in all samples. The observed proportionality between 1/T1 and the polarization rate 1/Tpol, with a coefficient related to the electron polarization, is consistent with the presence of Thermal Mixing (TM) and a good contact between the nuclear and the electron spins. At high electron concentration additional relaxation channels causing a decrease in the nuclear polarization must be considered. These results provide further support for a more extensive use of amorphous DNP-ready samples, obtained by means of comilling, in dissolution DNP experiments and possibly for in vivo metabolic imaging.

A time-correlation function approach to nuclear dynamical effects in X-ray spectroscopy

NASA Astrophysics Data System (ADS)

Karsten, Sven; Bokarev, Sergey I.; Aziz, Saadullah G.; Ivanov, Sergei D.; Kühn, Oliver

2017-06-01

Modern X-ray spectroscopy has proven itself as a robust tool for probing the electronic structure of atoms in complex environments. Despite working on energy scales that are much larger than those corresponding to nuclear motions, taking nuclear dynamics and the associated nuclear correlations into account may be of importance for X-ray spectroscopy. Recently, we have developed an efficient protocol to account for nuclear dynamics in X-ray absorption and resonant inelastic X-ray scattering spectra [Karsten et al., J. Phys. Chem. Lett. 8, 992 (2017)], based on ground state molecular dynamics accompanied with state-of-the-art calculations of electronic excitation energies and transition dipoles. Here, we present an alternative derivation of the formalism and elaborate on the developed simulation protocol using gas phase and bulk water as examples. The specific spectroscopic features stemming from the nuclear motions are analyzed and traced down to the dynamics of electronic energy gaps and transition dipole correlation functions. The observed tendencies are explained on the basis of a simple harmonic model, and the involved approximations are discussed. The method represents a step forward over the conventional approaches that treat the system in full complexity and provides a reasonable starting point for further improvements.

A time-correlation function approach to nuclear dynamical effects in X-ray spectroscopy.

PubMed

Karsten, Sven; Bokarev, Sergey I; Aziz, Saadullah G; Ivanov, Sergei D; Kühn, Oliver

2017-06-14

Modern X-ray spectroscopy has proven itself as a robust tool for probing the electronic structure of atoms in complex environments. Despite working on energy scales that are much larger than those corresponding to nuclear motions, taking nuclear dynamics and the associated nuclear correlations into account may be of importance for X-ray spectroscopy. Recently, we have developed an efficient protocol to account for nuclear dynamics in X-ray absorption and resonant inelastic X-ray scattering spectra [Karsten et al., J. Phys. Chem. Lett. 8, 992 (2017)], based on ground state molecular dynamics accompanied with state-of-the-art calculations of electronic excitation energies and transition dipoles. Here, we present an alternative derivation of the formalism and elaborate on the developed simulation protocol using gas phase and bulk water as examples. The specific spectroscopic features stemming from the nuclear motions are analyzed and traced down to the dynamics of electronic energy gaps and transition dipole correlation functions. The observed tendencies are explained on the basis of a simple harmonic model, and the involved approximations are discussed. The method represents a step forward over the conventional approaches that treat the system in full complexity and provides a reasonable starting point for further improvements.

Electron Beam Welding: study of process capability and limitations towards development of nuclear components

NASA Astrophysics Data System (ADS)

Vadolia, Gautam R.; Premjit Singh, K.

2017-04-01

Electron Beam Welding (EBW) technology is an established and widely adopted technique in nuclear research and development area. Electron beam welding was thought of as a candidate process for ITER Vacuum Vessel Fabrication. Dhruva Reactor at BARC, Mumbai and Niobium superconducting accelerator cavity at BARC has adopted the EB welding technique as a fabrication route. Study of process capability and limitations based on available literature is consolidated in this short review paper.

Density functional theory of electron transfer beyond the Born-Oppenheimer approximation: Case study of LiF.

PubMed

Li, Chen; Requist, Ryan; Gross, E K U

2018-02-28

We perform model calculations for a stretched LiF molecule, demonstrating that nonadiabatic charge transfer effects can be accurately and seamlessly described within a density functional framework. In alkali halides like LiF, there is an abrupt change in the ground state electronic distribution due to an electron transfer at a critical bond length R = R c , where an avoided crossing of the lowest adiabatic potential energy surfaces calls the validity of the Born-Oppenheimer approximation into doubt. Modeling the R-dependent electronic structure of LiF within a two-site Hubbard model, we find that nonadiabatic electron-nuclear coupling produces a sizable elongation of the critical R c by 0.5 bohr. This effect is very accurately captured by a simple and rigorously derived correction, with an M -1 prefactor, to the exchange-correlation potential in density functional theory, M = reduced nuclear mass. Since this nonadiabatic term depends on gradients of the nuclear wave function and conditional electronic density, ∇ R χ(R) and ∇ R n(r, R), it couples the Kohn-Sham equations at neighboring R points. Motivated by an observed localization of nonadiabatic effects in nuclear configuration space, we propose a local conditional density approximation-an approximation that reduces the search for nonadiabatic density functionals to the search for a single function y(n).

Coupled electron-nuclear dynamics: Charge migration and charge transfer initiated near a conical intersection

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mendive-Tapia, David; Vacher, Morgane; Bearpark, Michael J.

Coupled electron-nuclear dynamics, implemented using the Ehrenfest method, has been used to study charge migration with fixed nuclei, together with charge transfer when nuclei are allowed to move. Simulations were initiated at reference geometries of neutral benzene and 2-phenylethylamine (PEA), and at geometries close to potential energy surface crossings in the cations. Cationic eigenstates, and the so-called sudden approximation, involving removal of an electron from a correlated ground-state wavefunction for the neutral species, were used as initial conditions. Charge migration without coupled nuclear motion could be observed if the Ehrenfest simulation, using the sudden approximation, was started near a conicalmore » intersection where the states were both strongly coupled and quasi-degenerate. Further, the main features associated with charge migration were still recognizable when the nuclear motion was allowed to couple. In the benzene radical cation, starting from the reference neutral geometry with the sudden approximation, one could observe sub-femtosecond charge migration with a small amplitude, which results from weak interaction with higher electronic states. However, we were able to engineer large amplitude charge migration, with a period between 10 and 100 fs, corresponding to oscillation of the electronic structure between the quinoid and anti-quinoid cationic electronic configurations, by distorting the geometry along the derivative coupling vector from the D{sub 6h} Jahn-Teller crossing to lower symmetry where the states are not degenerate. When the nuclear motion becomes coupled, the period changes only slightly. In PEA, in an Ehrenfest trajectory starting from the D{sub 2} eigenstate and reference geometry, a partial charge transfer occurs after about 12 fs near the first crossing between D{sub 1}, D{sub 2} (N{sup +}-Phenyl, N-Phenyl{sup +}). If the Ehrenfest propagation is started near this point, using the sudden approximation without coupled nuclear motion, one observes an oscillation of the spin density – charge migration – between the N atom and the phenyl ring with a period of 4 fs. When the nuclear motion becomes coupled, this oscillation persists in a damped form, followed by an effective charge transfer after 30 fs.« less

Coupled electron-nuclear dynamics: Charge migration and charge transfer initiated near a conical intersection

NASA Astrophysics Data System (ADS)

Mendive-Tapia, David; Vacher, Morgane; Bearpark, Michael J.; Robb, Michael A.

2013-07-01

Coupled electron-nuclear dynamics, implemented using the Ehrenfest method, has been used to study charge migration with fixed nuclei, together with charge transfer when nuclei are allowed to move. Simulations were initiated at reference geometries of neutral benzene and 2-phenylethylamine (PEA), and at geometries close to potential energy surface crossings in the cations. Cationic eigenstates, and the so-called sudden approximation, involving removal of an electron from a correlated ground-state wavefunction for the neutral species, were used as initial conditions. Charge migration without coupled nuclear motion could be observed if the Ehrenfest simulation, using the sudden approximation, was started near a conical intersection where the states were both strongly coupled and quasi-degenerate. Further, the main features associated with charge migration were still recognizable when the nuclear motion was allowed to couple. In the benzene radical cation, starting from the reference neutral geometry with the sudden approximation, one could observe sub-femtosecond charge migration with a small amplitude, which results from weak interaction with higher electronic states. However, we were able to engineer large amplitude charge migration, with a period between 10 and 100 fs, corresponding to oscillation of the electronic structure between the quinoid and anti-quinoid cationic electronic configurations, by distorting the geometry along the derivative coupling vector from the D6h Jahn-Teller crossing to lower symmetry where the states are not degenerate. When the nuclear motion becomes coupled, the period changes only slightly. In PEA, in an Ehrenfest trajectory starting from the D2 eigenstate and reference geometry, a partial charge transfer occurs after about 12 fs near the first crossing between D1, D2 (N+-Phenyl, N-Phenyl+). If the Ehrenfest propagation is started near this point, using the sudden approximation without coupled nuclear motion, one observes an oscillation of the spin density - charge migration - between the N atom and the phenyl ring with a period of 4 fs. When the nuclear motion becomes coupled, this oscillation persists in a damped form, followed by an effective charge transfer after 30 fs.

Electron string phenomenon: physics and use

NASA Astrophysics Data System (ADS)

Donets, Evgeny D.

2004-01-01

Electron string phenomenon arises as a result of phase transition of a state of multiply reflected electron beam to this new discovered state of one component electron plasma and can be easily observed in the reflex mode of EBIS operation. The transition goes via a strong instability, which causes considerable electron energy spread, which in its turn suppresses the instability. Electron string state is a stationary state of hot pure electron plasma, which is heated by injected electron beam and cooled because of electron loses. Electron string is quiet in broad regions of experimental parameters, so that it is used for confinement and ionization of positive ions by electron impact to highly charge states similar to electron beams in EBIS. Application of electron strings instead of electron beams for ion production allows to save about 99% of electric power of electron beam and simultaneously to improve reliability of an ion source considerably. The JINR EBIS `Krion-2' in the string mode of operation is used for production of N7+, Ar16+ and Fe24+ ion beams and their acceleration to relativistic energies on the facility of the JINR super conducting one turn injection synchrotron `Nuklotron'. The tubular electron string possibly can exist and it is under study now theoretically and experiments are prepared now. Estimations show that a Tubular Electron String Ion Source (TESIS) could have up to three orders of magnitude higher ion output then a Linear one (LESIS). In frames of nuclear astrophysics electron strings can be used for research of fusion nuclear reactions at low energies in conditions when both beam and target nuclei do not carry orbital electrons. The project NARITA — Nuclear Astrophysics Researches in an Ion Trap Apparatus is proposed. Polarization effects also can be studied.

Physics reach of the XENON1T dark matter experiment

DOE Office of Scientific and Technical Information (OSTI.GOV)

Aprile, E.; Anthony, M.; Aalbers, J.

2016-04-01

The XENON1T experiment is currently in the commissioning phase at the Laboratori Nazionali del Gran Sasso, Italy. In this article we study the experiment's expected sensitivity to the spin-independent WIMP-nucleon interaction cross section, based on Monte Carlo predictions of the electronic and nuclear recoil backgrounds. The total electronic recoil background in 1 tonne fiducial volume and (1, 12) keV electronic recoil equivalent energy region, before applying any selection to discriminate between electronic and nuclear recoils, is (1.80 ± 0.15) · 10{sup −4} (kg·day·keV){sup −1}, mainly due to the decay of {sup 222}Rn daughters inside the xenon target. The nuclear recoil background in the correspondingmore » nuclear recoil equivalent energy region (4, 50) keV, is composed of (0.6 ± 0.1) (t·y){sup −1} from radiogenic neutrons, (1.8 ± 0.3) · 10{sup −2} (t·y){sup −1} from coherent scattering of neutrinos, and less than 0.01 (t·y){sup −1} from muon-induced neutrons. The sensitivity of XENON1T is calculated with the Profile Likelihood Ratio method, after converting the deposited energy of electronic and nuclear recoils into the scintillation and ionization signals seen in the detector. We take into account the systematic uncertainties on the photon and electron emission model, and on the estimation of the backgrounds, treated as nuisance parameters. The main contribution comes from the relative scintillation efficiency L{sub eff}, which affects both the signal from WIMPs and the nuclear recoil backgrounds. After a 2 y measurement in 1 t fiducial volume, the sensitivity reaches a minimum cross section of 1.6 · 10{sup −47} cm{sup 2} at m{sub χ} = 50 GeV/c{sup 2}.« less

Time-resolved photoelectron spectroscopy of IR-driven electron dynamics in a charge transfer model system.

PubMed

Falge, Mirjam; Fröbel, Friedrich Georg; Engel, Volker; Gräfe, Stefanie

2017-08-02

If the adiabatic approximation is valid, electrons smoothly adapt to molecular geometry changes. In contrast, as a characteristic of diabatic dynamics, the electron density does not follow the nuclear motion. Recently, we have shown that the asymmetry in time-resolved photoelectron spectra serves as a tool to distinguish between these dynamics [Falge et al., J. Phys. Chem. Lett., 2012, 3, 2617]. Here, we investigate the influence of an additional, moderately intense infrared (IR) laser field, as often applied in attosecond time-resolved experiments, on such asymmetries. This is done using a simple model for coupled electronic-nuclear motion. We calculate time-resolved photoelectron spectra and their asymmetries and demonstrate that the spectra directly map the bound electron-nuclear dynamics. From the asymmetries, we can trace the IR field-induced population transfer and both the field-driven and intrinsic (non-)adiabatic dynamics. This holds true when considering superposition states accompanied by electronic coherences. The latter are observable in the asymmetries for sufficiently short XUV pulses to coherently probe the coupled states. It is thus documented that the asymmetry is a measure for phases in bound electron wave packets and non-adiabatic dynamics.

Robust techniques for polarization and detection of nuclear spin ensembles

NASA Astrophysics Data System (ADS)

Scheuer, Jochen; Schwartz, Ilai; Müller, Samuel; Chen, Qiong; Dhand, Ish; Plenio, Martin B.; Naydenov, Boris; Jelezko, Fedor

2017-11-01

Highly sensitive nuclear spin detection is crucial in many scientific areas including nuclear magnetic resonance spectroscopy, magnetic resonance imaging (MRI), and quantum computing. The tiny thermal nuclear spin polarization represents a major obstacle towards this goal which may be overcome by dynamic nuclear spin polarization (DNP) methods. The latter often rely on the transfer of the thermally polarized electron spins to nearby nuclear spins, which is limited by the Boltzmann distribution of the former. Here we utilize microwave dressed states to transfer the high (>92 % ) nonequilibrium electron spin polarization of a single nitrogen-vacancy center (NV) induced by short laser pulses to the surrounding 13C carbon nuclear spins. The NV is repeatedly repolarized optically, thus providing an effectively infinite polarization reservoir. A saturation of the polarization of the nearby nuclear spins is achieved, which is confirmed by the decay of the polarization transfer signal and shows an excellent agreement with theoretical simulations. Hereby we introduce the polarization readout by polarization inversion method as a quantitative magnetization measure of the nuclear spin bath, which allows us to observe by ensemble averaging macroscopically hidden polarization dynamics like Landau-Zener-Stückelberg oscillations. Moreover, we show that using the integrated solid effect both for single- and double-quantum transitions nuclear spin polarization can be achieved even when the static magnetic field is not aligned along the NV's crystal axis. This opens a path for the application of our DNP technique to spins in and outside of nanodiamonds, enabling their application as MRI tracers. Furthermore, the methods reported here can be applied to other solid state systems where a central electron spin is coupled to a nuclear spin bath, e.g., phosphor donors in silicon and color centers in silicon carbide.

Electron emission produced by photointeractions in a slab target

NASA Technical Reports Server (NTRS)

Thinger, B. E.; Dayton, J. A., Jr.

1973-01-01

The current density and energy spectrum of escaping electrons generated in a uniform plane slab target which is being irradiated by the gamma flux field of a nuclear reactor are calculated by using experimental gamma energy transfer coefficients, electron range and energy relations, and escape probability computations. The probability of escape and the average path length of escaping electrons are derived for an isotropic distribution of monoenergetic photons. The method of estimating the flux and energy distribution of electrons emerging from the surface is outlined, and a sample calculation is made for a 0.33-cm-thick tungsten target located next to the core of a nuclear reactor. The results are to be used as a guide in electron beam synthesis of reactor experiments.

Tunneling induced electron transfer between separated protons

NASA Astrophysics Data System (ADS)

Vindel-Zandbergen, Patricia; Meier, Christoph; Sola, Ignacio R.

2018-04-01

We study electron transfer between two separated protons using local control theory. In this symmetric system one can favour a slow transfer by biasing the algorithm, achieving high efficiencies for fixed nuclei. The solution can be parametrized using a sequence of a pump followed by a dump pulse that lead to tunneling-induced electron transfer. Finally, we study the effect of the nuclear kinetic energy on the efficiency. Even in the absence of relative motion between the protons, the spreading of the nuclear wave function is enough to reduce the yield of electronic transfer to less than one half.

Estimations of electron densities and temperatures in He-3 dominated plasmas. [in nuclear pumped lasers

NASA Technical Reports Server (NTRS)

Depaola, B. D.; Marcum, S. D.; Wrench, H. K.; Whitten, B. L.; Wells, W. E.

1979-01-01

It is very useful to have a method of estimation for electron temperature and electron densities in nuclear pumped plasmas because measurements of such quantities are very difficult. This paper describes a method, based on rate equation analysis of the ionized species in the plasma and the electron energy balance. In addition to the ionized species, certain neutral species must also be calculated. Examples are given for pure helium and a mixture of helium and argon. In the HeAr case, He(+), He2(+), He/2 3S/, Ar(+), Ar2(+), and excited Ar are evaluated.

Ultrafast equilibration of excited electrons in dynamical simulations.

PubMed

Lin, Zhibin; Allen, Roland E

2009-12-02

In our density-functional-based simulations of materials responding to femtosecond-scale laser pulses, we have observed a potentially useful phenomenon: the excited electrons automatically equilibrate to a Fermi-Dirac distribution within ∼100 fs, solely because of their coupling to the nuclear motion, even though the resulting electronic temperature is one to two orders of magnitude higher than the kinetic temperature defined by the nuclear motion. Microscopic simulations like these can then provide the separate electronic and kinetic temperatures, chemical potentials, pressures, and nonhydrostatic stresses as input for studies on larger lengths and timescales.

The radiated electromagnetic field from collimated gamma rays and electron beams in air

NASA Astrophysics Data System (ADS)

Tumolillo, T. A.; Wondra, J. P.; Hobbs, W. E.; Smith, K.

1980-12-01

Nuclear weapons effects computer codes are used to study the electromagnetic field produced by gamma rays or by highly relativistic electron beams moving through the air. Consideration is given to large-area electron and gamma beams, small-area electron beams, variation of total beam current, variation of pressure in the beam channel, variation of the beam rise time, variation of beam radius, far-field radiated signals, and induced current on a system from a charged-particle beam. The work has application to system EMP coupling from nuclear weapons or charged-particle-beam weapons.

Electrical detection of nuclear spins in organic light-emitting diodes

NASA Astrophysics Data System (ADS)

Malissa, H.; Kavand, M.; Waters, D. P.; Lupton, J. M.; Vardeny, Z. V.; Saam, B.; Boehme, C.

2014-03-01

We present pulsed combined electrically detected electron paramagnetic and nuclear magnetic resonance experiments on MEH-PPV OLEDs. Spin dynamics in these structures are governed by hyperfine interactions between charge carriers and the surrounding hydrogen nuclei, which are abundant in these materials. Hyperfine coupling has been observed by monitoring the device current during coherent spin excitation. Electron spin echoes (ESEs) are detected by applying one additional readout pulse at the time of echo formation. This allows for the application of high-resolution spectroscopy based on ESE detection, such as electron spin echo envelope modulation (ESEEM) and electron nuclear double resonance (ENDOR) available for electrical detection schemes. We conduct electrically detected ESEEM and ENDOR experiments and show how hyperfine interactions in MEH-PPV with and without deuterated polymer side groups can be observed by device current measurements. We acknowledge support by the Department of Energy, Office of Basic Energy Sciences under Award #DE-SC0000909.

Study of Electron Gas on a Neutron-Rich Nuclear Pasta

NASA Astrophysics Data System (ADS)

Ramirez-Homs, Enrique

This study used a classical molecular dynamics model to observe the role of electron gas on the formation of nuclear structures at subsaturation densities (rho < 0.015 fm-3) and low temperatures (T < 1MeV ). The simulations were performed by varying the Coulomb interaction strength on systems of isospin symmetric and asymmetric matter with periodic boundary conditions. The effect was quantified on the fragment size multiplicity, the inter-particle distance, the isospin content of the clusters, the nucleon mobility and cluster persistence, and on the nuclear structure shapes. The existence of the nuclear pasta structures was observed even with the absence of the Coulomb interaction but with a modication of the shapes formed. It was found that the presence of the electron gas tends to distribute matter more evenly, forms less compact objects, decreases the isospin content of clusters, modies the nucleon mobility, reduces the persistence and the fragment size multiplicity, but does not alter the inter-particle distance in clusters. The degree of these effects also varied on the nuclear structures and depended on their isospin content, temperature, and density.

Possibilities for Nuclear Photo-Science with Intense Lasers

DOE Office of Scientific and Technical Information (OSTI.GOV)

Barty, C J; Hartemann, F V; McNabb, D P

2006-06-26

The interaction of intense laser light with relativistic electrons can produce unique sources of high-energy x rays and gamma rays via Thomson scattering. ''Thomson-Radiated Extreme X-ray'' (T-REX) sources with peak photon brightness (photons per unit time per unit bandwidth per unit solid angle per unit area) that exceed that available from world's largest synchrotrons by more than 15 orders of magnitude are possible from optimally designed systems. Such sources offer the potential for development of ''nuclear photo-science'' applications in which the primary photon-atom interaction is with the nucleons and not the valence electrons. Applications include isotope-specific detection and imaging ofmore » materials, inverse density radiography, transmutation of nuclear waste and fundamental studies of nuclear structure. Because Thomson scattering cross sections are small, < 1 barn, the output from a T-REX source is optimized when the laser spot size and the electron spot size are minimized and when the electron and laser pulse durations are similar and short compared to the transit time through the focal region. The principle limitation to increased x-ray or gamma-ray brightness is ability to focus the electron beam. The effects of space charge on electron beam focus decrease approximately linearly with electron beam energy. For this reason, T-REX brightness increases rapidly as a function of the electron beam energy. As illustrated in Figure 1, above 100 keV these sources are unique in their ability to produce bright, narrow-beam, tunable, narrow-band gamma rays. New, intense, short-pulse, laser technologies for advanced T-REX sources are currently being developed at LLNL. The construction of a {approx}1 MeV-class machine with this technology is underway and will be used to excite nuclear resonance fluorescence in variety of materials. Nuclear resonance fluorescent spectra are unique signatures of each isotope and provide an ideal mechanism for identification of nuclear materials. With TREX it is possible to use NRF to provide high spatial resolution (micron scale) images of the isotopic distribution of all materials in a given object. Because of the high energy of the photons, imaging through dense and/or thick objects is possible. This technology will have applicability in many arenas including the survey of cargo for the presence of clandestine nuclear materials. It is also possible to address the more general radiographic challenge of imaging low-density objects that are shielded or placed behind high density objects. In this case, it is the NRF cross section and not the electron density of the material that provides contrast. Extensions of T-REX technology will be dependent upon the evolution of short pulse laser technology to high average powers. Concepts for sources that would produce 10's of kWs of gamma-rays by utilizing MW-class average-power, diode-pumped, short pulse lasers and energy recovery LINAC technology have been developed.« less

78 FR 47014 - Configuration Management Plans for Digital Computer Software Used in Safety Systems of Nuclear...

Federal Register 2010, 2011, 2012, 2013, 2014

2013-08-02

... Software Used in Safety Systems of Nuclear Power Plants AGENCY: Nuclear Regulatory Commission. ACTION... Computer Software Used in Safety Systems of Nuclear Power Plants.'' This RG endorses, with clarifications... Electrical and Electronic Engineers (IEEE) Standard 828-2005, ``IEEE Standard for Software Configuration...

Electron-nuclear coherent spin oscillations probed by spin-dependent recombination

NASA Astrophysics Data System (ADS)

Azaizia, S.; Carrère, H.; Sandoval-Santana, J. C.; Ibarra-Sierra, V. G.; Kalevich, V. K.; Ivchenko, E. L.; Bakaleinikov, L. A.; Marie, X.; Amand, T.; Kunold, A.; Balocchi, A.

2018-04-01

We demonstrate the triggering and detection of coherent electron-nuclear spin oscillations related to the hyperfine interaction in Ga deep paramagnetic centers in GaAsN by band-to-band photoluminescence without an external magnetic field. In contrast to other point defects such as Cr4 + in SiC, Ce3 + in yttrium aluminum garnet crystals, nitrogen-vacancy centers in diamond, and P atoms in silicon, the bound-electron spin in Ga centers is not directly coupled to the electromagnetic field via the spin-orbit interaction. However, this apparent drawback can be turned into an advantage by exploiting the spin-selective capture of conduction band electrons to the Ga centers. On the basis of a pump-probe photoluminescence experiment we measure directly in the temporal domain the hyperfine constant of an electron coupled to a gallium defect in GaAsN by tracing the dynamical behavior of the conduction electron spin-dependent recombination to the defect site. The hyperfine constants and the relative abundance of the nuclei isotopes involved can be determined without the need of an electron spin resonance technique and in the absence of any magnetic field. Information on the nuclear and electron spin relaxation damping parameters can also be estimated from the oscillation amplitude decay and the long-time-delay behavior.

Direct Production of Electron-Positron Pairs by 200-GeV/Nucleon Oxygen and Sulfur Ions in Nuclear Emulsion

NASA Technical Reports Server (NTRS)

Derrickson, J. H.; Eby, P. B.; Moon, K. H.; Parnell, T. A.; King, D. T.; Gregory, J. C.; Takahashi, Y.; Ogata, T.

1995-01-01

Measurements of direct Coulomb electron-positron pair production have been made on the tracks of relativistic heavy ions in nuclear track emulsion. Tracks of 0(16) and S(32) at 200 GeV/nucleon were studied. The measured total cross sections and energy and emission angle distributions for the pair members are compared to theoretical predictions. The data are consistent with some recent calculations when knock-on electron contamination is accounted for.

Young Investigator Program: Modular Paradigm for Scalable Quantum Information

DTIC Science & Technology

2016-03-04

For comparison, we plot the time required with direct driving (green lines) with bare Rabi frequencies 20 and 100kHz, when the electronic spin in state...from the NV center. Note that virtual transition of the electronic spin in the ms = 0 manifold result in a decrease of the effective Rabi frequency...strength [17–19]. This nuclear Rabi enhancement depends on the state of the electronic spin. The effective Rabi frequency Ω for an isolated nuclear spin

Energy Distribution of Electrons in Radiation Induced-Helium Plasmas. Ph.D. Thesis

NASA Technical Reports Server (NTRS)

Lo, R. H.

1972-01-01

Energy distribution of high energy electrons as they slow down and thermalize in a gaseous medium is studied. The energy distribution in the entire energy range from source energies down is studied analytically. A helium medium in which primary electrons are created by the passage of heavy-charged particles from nuclear reactions is emphasized. A radiation-induced plasma is of interest in a variety of applications, such as radiation pumped lasers and gaseous core nuclear reactors.

γ-radiation of excited nuclear discrete levels in peripheral heavy ion collisions

NASA Astrophysics Data System (ADS)

Korotkikh, V. L.; Chikin, K. A.

A new process of a nuclear excitation to discrete states in peripheral heavy ion collisions is studied. High-energy photons are emitted by the exited nuclei with energies up to a few tens of GeV at angles of a few hundred microradians with respect to the beam direction. We show that a two-stage process, where an electron-positron pair is produced by virtual photons emitted by nuclei and then the electron or positron excites the nucleus, has a large cross-section. It is equal to about 5 b for CaCa collisions. On the one hand, it produces a significant γ-rays background in the nuclear fragmentation region but, on the other hand, it could be used for monitoring the nuclear beam intensity at the LHC. These secondary nuclear photons could be a good signal for triggering peripheral nuclear collisions.

Electron Correlation and Tranport Properties in Nuclear Fuel Materials

NASA Astrophysics Data System (ADS)

Yin, Quan; Haule, Kristjan; Kotliar, Gabriel; Savrasov, Sergey; Pickett, Warren

2011-03-01

Using first principle LDA+DMFT method, we conduct a systematic study on the correlated electronic structures and transport properties of select actinide carbides, nitrides, and oxides, many of which are nuclear fuel materials. Our results capture the metal--insulator Mott transition within the studied systems, and the appearance of the Zhang-Rice state in uranium dioxide. More importantly, by understanding the physics underlying their transport properties, we suggest ways to improve the efficiency of currently used fuels. This work is supported by the DOE Nuclear Energy University Program, contract No. 00088708.

Electron microscopy of lamin and the nuclear lamina in Caenorhabditis elegans.

PubMed

Cohen, Merav; Santarella, Rachel; Wiesel, Naama; Mattaj, Iain; Gruenbaum, Yosef

2008-01-01

The nuclear lamina is found between the inner nuclear membrane and the peripheral chromatin. Lamins are the main components of the nuclear lamina, where they form protein complexes with integral proteins of the inner nuclear membrane, transcriptional regulators, histones and chromatin modifiers. Lamins are required for mechanical stability, chromatin organization, Pol II transcription, DNA replication, nuclear assembly, and nuclear positioning. Mutations in human lamins cause at least 13 distinct human diseases, collectively termed laminopathies, affecting muscle, adipose, bone, nerve and skin cells, and range from muscular dystrophies to accelerated aging. Caenorhabditis elegans has unique advantages in studying lamins and nuclear lamina genes including low complexity of lamina genes and the unique ability of bacterially expressed C. elegans lamin protein to form stable 10 nm fibers. In addition, transgenic techniques, simple application of RNA interference, sophisticated genetic analyses, and the production of a large collection of mutant lines, all make C. elegans especially attractive for studying the functions of its nuclear lamina genes. In this chapter we will include a short review of our current knowledge of nuclear lamina in C. elegans and will describe electron microscopy techniques used for their analyses.

Nuclear Glycogen Inclusions in Canine Parietal Cells.

PubMed

Silvestri, S; Lepri, E; Dall'Aglio, C; Marchesi, M C; Vitellozzi, G

2017-05-01

Nuclear glycogen inclusions occur infrequently in pathologic conditions but also in normal human and animal tissues. Their function or significance is unclear. To the best of the authors' knowledge, no reports of nuclear glycogen inclusions in canine parietal cells exist. After initial observations of nuclear inclusions/pseudoinclusions during routine histopathology, the authors retrospectively examined samples of gastric mucosa from dogs presenting with gastrointestinal signs for the presence of intranuclear inclusions/pseudoinclusions and determined their composition using histologic and electron-microscopic methods. In 24 of 108 cases (22%), the authors observed various numbers of intranuclear inclusions/pseudoinclusions within scattered parietal cells. Nuclei were characterized by marked karyomegaly and chromatin margination around a central optically empty or slightly eosinophilic area. The intranuclear inclusions/pseudoinclusions stained positive with periodic acid-Schiff (PAS) and were diastase sensitive, consistent with glycogen. Several PAS-positive/diastase-sensitive sections were further examined by transmission electron microscopy, also using periodic acid-thiocarbohydrazide-silver proteinate (PA-TCH-SP) staining to identify polysaccharides. Ultrastructurally, the nuclear inclusions were composed of electron-dense particles that were not membrane bound, without evidence of nuclear membrane invaginations or cytoplasmic organelles in the nuclei, and positive staining with PA-TCH-SP, confirming a glycogen composition. No cytoplasmic glycogen deposits were observed, suggesting that the intranuclear glycogen inclusions were probably synthesized in loco. Nuclear glycogen inclusions were not associated with gastritis or colonization by Helicobacter-like organisms ( P > .05). Our findings suggest that nuclear glycogen inclusions in canine parietal cells could be an incidental finding. Nevertheless, since nuclear glycogen is present in several pathologic conditions, further investigations could be warranted to determine their true significance.

Fast passage dynamic nuclear polarization on rotating solids.

PubMed

Mentink-Vigier, Frederic; Akbey, Umit; Hovav, Yonatan; Vega, Shimon; Oschkinat, Hartmut; Feintuch, Akiva

2012-11-01

Magic Angle Spinning (MAS) Dynamic Nuclear Polarization (DNP) has proven to be a very powerful way to improve the signal to noise ratio of NMR experiments on solids. The experiments have in general been interpreted considering the Solid-Effect (SE) and Cross-Effect (CE) DNP mechanisms while ignoring the influence of sample spinning. In this paper, we show experimental data of MAS-DNP enhancements of (1)H and (13)C in proline and SH3 protein in glass forming water/glycerol solvent containing TOTAPOL. We also introduce a theoretical model that aims at explaining how the nuclear polarization is built in MAS-DNP experiments. By using Liouville space based simulations to include relaxation on two simple spin models, {electron-nucleus} and {electron-electron-nucleus}, we explain how the basic MAS-SE-DNP and MAS-CE-DNP processes work. The importance of fast energy passages and short level anti-crossing is emphasized and the differences between static DNP and MAS-DNP is explained. During a single rotor cycle the enhancement in the {electron-electron-nucleus} system arises from MAS-CE-DNP involving at least three kinds of two-level fast passages: an electron-electron dipolar anti-crossing, a single quantum electron MW encounter and an anti-crossing at the CE condition inducing nuclear polarization in- or decrements. Numerical, powder-averaged, simulations were performed in order to check the influence of the experimental parameters on the enhancement efficiencies. In particular we show that the spinning frequency dependence of the theoretical MAS-CE-DNP enhancement compares favorably with the experimental (1)H and (13)C MAS-DNP enhancements of proline and SH3. Copyright © 2012 Elsevier Inc. All rights reserved.

A novel pulse height analysis technique for nuclear spectroscopic and imaging systems

NASA Astrophysics Data System (ADS)

Tseng, H. H.; Wang, C. Y.; Chou, H. P.

2005-08-01

The proposed pulse height analysis technique is based on the constant and linear relationship between pulse width and pulse height generated from front-end electronics of nuclear spectroscopic and imaging systems. The present technique has successfully implemented into the sump water radiation monitoring system in a nuclear power plant. The radiation monitoring system uses a NaI(Tl) scintillator to detect radioactive nuclides of Radon daughters brought down by rain. The technique is also used for a nuclear medical imaging system. The system uses a position sensitive photomultiplier tube coupled with a scintillator. The proposed techniques has greatly simplified the electronic design and made the system a feasible one for potable applications.

Dependence of weak interaction rates on the nuclear composition during stellar core collapse

NASA Astrophysics Data System (ADS)

Furusawa, Shun; Nagakura, Hiroki; Sumiyoshi, Kohsuke; Kato, Chinami; Yamada, Shoichi

2017-02-01

We investigate the influences of the nuclear composition on the weak interaction rates of heavy nuclei during the core collapse of massive stars. The nuclear abundances in nuclear statistical equilibrium (NSE) are calculated by some equation of state (EOS) models including in-medium effects on nuclear masses. We systematically examine the sensitivities of electron capture and neutrino-nucleus scattering on heavy nuclei to the nuclear shell effects and the single-nucleus approximation. We find that the washout of the shell effect at high temperatures brings significant change to weak rates by smoothing the nuclear abundance distribution: the electron capture rate decreases by ˜20 % in the early phase and increases by ˜40 % in the late phase at most, while the cross section for neutrino-nucleus scattering is reduced by ˜15 % . This is because the open-shell nuclei become abundant instead of those with closed neutron shells as the shell effects disappear. We also find that the single-nucleus description based on the average values leads to underestimations of weak rates. Electron captures and neutrino coherent scattering on heavy nuclei are reduced by ˜80 % in the early phase and by ˜5 % in the late phase, respectively. These results indicate that NSE like EOS accounting for shell washout is indispensable for the reliable estimation of weak interaction rates in simulations of core-collapse supernovae.

Fingerprints of single nuclear spin energy levels using STM - ENDOR

NASA Astrophysics Data System (ADS)

Manassen, Yishay; Averbukh, Michael; Jbara, Moamen; Siebenhofer, Bernhard; Shnirman, Alexander; Horovitz, Baruch

2018-04-01

We performed STM-ENDOR experiments where the intensity of one of the hyperfine components detected in ESR-STM is recorded while an rf power is irradiated into the tunneling junction and its frequency is swept. When the latter frequency is near a nuclear transition a dip in ESR-STM signal is observed. This experiment was performed in three different systems: near surface SiC vacancies where the electron spin is coupled to a next nearest neighbor 29Si nucleus; Cu deposited on Si(111)7x7 surface, where the unpaired electron of the Cu atom is coupled to the Cu nucleus (63Cu, 65Cu) and on Tempo molecules adsorbed on Au(111), where the unpaired electron is coupled to a Nitrogen nucleus (14N). While some of the hyperfine values are unresolved in the ESR-STM data due to linewidth we find that they are accurately determined in the STM-ENDOR data including those from remote nuclei, which are not detected in the ESR-STM spectrum. Furthermore, STM-ENDOR can measure single nuclear Zeeman frequencies, distinguish between isotopes through their different nuclear magnetic moments and detect quadrupole spectra. We also develop and solve a Bloch type equation for the coupled electron-nuclear system that facilitates interpretation of the data. The improved spectral resolution of STM - ENDOR opens many possibilities for nanometric scale chemical analysis.

Fingerprints of single nuclear spin energy levels using STM - ENDOR.

PubMed

Manassen, Yishay; Averbukh, Michael; Jbara, Moamen; Siebenhofer, Bernhard; Shnirman, Alexander; Horovitz, Baruch

2018-04-01

We performed STM-ENDOR experiments where the intensity of one of the hyperfine components detected in ESR-STM is recorded while an rf power is irradiated into the tunneling junction and its frequency is swept. When the latter frequency is near a nuclear transition a dip in ESR-STM signal is observed. This experiment was performed in three different systems: near surface SiC vacancies where the electron spin is coupled to a next nearest neighbor 29 Si nucleus; Cu deposited on Si(111)7x7 surface, where the unpaired electron of the Cu atom is coupled to the Cu nucleus ( 63 Cu, 65 Cu) and on Tempo molecules adsorbed on Au(111), where the unpaired electron is coupled to a Nitrogen nucleus ( 14 N). While some of the hyperfine values are unresolved in the ESR-STM data due to linewidth we find that they are accurately determined in the STM-ENDOR data including those from remote nuclei, which are not detected in the ESR-STM spectrum. Furthermore, STM-ENDOR can measure single nuclear Zeeman frequencies, distinguish between isotopes through their different nuclear magnetic moments and detect quadrupole spectra. We also develop and solve a Bloch type equation for the coupled electron-nuclear system that facilitates interpretation of the data. The improved spectral resolution of STM - ENDOR opens many possibilities for nanometric scale chemical analysis. Copyright © 2018 Elsevier Inc. All rights reserved.

The US Nuclear Data Network

DOE Office of Scientific and Technical Information (OSTI.GOV)

Not Available

1993-10-19

This report discusses the following topics: US Nuclear Data Network Meeting; TUNL A=3--20 Data Project Activity Report 1993; INEL Mass-chain Evaluation Project Activity Report for 1993; 1993 Isotopes; Nuclear Data Project Activity Report; The NNDC Activity Report Parts A and B; Minutes of the Formats and Procedures Subcommittee; Evaluation of High-spin Nuclear Data for ENSDF and Table of Superdeformed Nuclear Bands; Proposal for Support of a Experimental High-spin; Data File/Data-Network Coordinator; Radioactive Decay and Applications; A Plan for a Horizontal Evaluation of Decay Data; ENSDF On-line System; The MacNuclide Project Expanding the Scope of the Nuclear Structure Reference File; ENSDAT:more » Evaluated Nuclear Structure Drawings and Tables; Cross Section Evaluation Working Group (CSEWG) and CSEWG Strategy Session; A Draft Proposal for a USNDN Program Advisory Council; Recommendations of Focus Group 1; Recommendations of Focus Group 2; Recommendations of Focus Group 3; Recommendations of Focus Group 4; The Table of Isotopes; The Isotopes CD-ROM; Electronic Table of Isotopes (ETOI); and Electronic Access to Nuclear Data.« less

Perturbation of nuclear spin polarizations in solid state NMR of nitroxide-doped samples by magic-angle spinning without microwaves.

PubMed

Thurber, Kent R; Tycko, Robert

2014-05-14

We report solid state (13)C and (1)H nuclear magnetic resonance (NMR) experiments with magic-angle spinning (MAS) on frozen solutions containing nitroxide-based paramagnetic dopants that indicate significant perturbations of nuclear spin polarizations without microwave irradiation. At temperatures near 25 K, (1)H and cross-polarized (13)C NMR signals from (15)N,(13)C-labeled L-alanine in trinitroxide-doped glycerol/water are reduced by factors as large as six compared to signals from samples without nitroxide doping. Without MAS or at temperatures near 100 K, differences between signals with and without nitroxide doping are much smaller. We attribute most of the reduction of NMR signals under MAS near 25 K to nuclear spin depolarization through the cross-effect dynamic nuclear polarization mechanism, in which three-spin flips drive nuclear polarizations toward equilibrium with spin polarization differences between electron pairs. When T1e is sufficiently long relative to the MAS rotation period, the distribution of electron spin polarization across the nitroxide electron paramagnetic resonance lineshape can be very different from the corresponding distribution in a static sample at thermal equilibrium, leading to the observed effects. We describe three-spin and 3000-spin calculations that qualitatively reproduce the experimental observations.

Electrically-Generated Spin Polarization in Non-Magnetic Semiconductors

DTIC Science & Technology

2016-03-31

resolved Faraday rotation data due to electron spin polarization from previous pump pulses was characterized, and an analytic solution for this phase...electron spin polarization was shown to produce nuclear hyperpolarization through dynamic nuclear polarization. Time-resolved Faraday rotation...Distribution approved for public release. 3    Figure 3. Total magnetic field measured using time-resolved Faraday rotation with the electrically

Ligand protons in a frozen solution of copper histidine relax via a T1e-driven three-spin mechanism

NASA Astrophysics Data System (ADS)

Stoll, S.; Epel, B.; Vega, S.; Goldfarb, D.

2007-10-01

Davies electron-nuclear double resonance spectra can exhibit strong asymmetries for long mixing times, short repetition times, and large thermal polarizations. These asymmetries can be used to determine nuclear relaxation rates in paramagnetic systems. Measurements of frozen solutions of copper(L-histidine)2 reveal a strong field dependence of the relaxation rates of the protons in the histidine ligand, increasing from low (g‖) to high (g⊥) field. It is shown that this can be attributed to a concentration-dependent T1e-driven relaxation process involving strongly mixed states of three spins: the histidine proton, the Cu(II) electron spin of the same complex, and another distant electron spin with a resonance frequency differing from the spectrometer frequency approximately by the proton Larmor frequency. The protons relax more efficiently in the g⊥ region, since the number of distant electrons able to participate in this relaxation mechanism is higher than in the g‖ region. Analytical expressions for the associated nuclear polarization decay rate Teen-1 are developed and Monte Carlo simulations are carried out, reproducing both the field and the concentration dependences of the nuclear relaxation.

Nature of non-nuclear (3, -3) π-attractor and π-bonding: Theoretical analysis on π-electron density

NASA Astrophysics Data System (ADS)

Lv, Jiao; Yang, Lihua; Sun, Zheng; Meng, Lingpeng; Li, Xiaoyan

2018-01-01

Understanding the nature of π-electron density is important to characterize the conjugate π molecular systems. In this work, the π-electron densities of some typical conjugated π molecular systems were separated from their total electron densities; the positions and natures of non-nuclear (3, -3) π-attractors and the π-bond critical points (π-BCPs) are investigated. The calculated results show that for the same element, the position of the π-attractor is constant, regardless of the chemical surroundings. The position of the π-BCP is closer to the atom with the larger electronegativity.

Cavity Born-Oppenheimer Approximation for Correlated Electron-Nuclear-Photon Systems.

PubMed

Flick, Johannes; Appel, Heiko; Ruggenthaler, Michael; Rubio, Angel

2017-04-11

In this work, we illustrate the recently introduced concept of the cavity Born-Oppenheimer approximation [ Flick et al. PNAS 2017 , 10.1073/pnas.1615509114 ] for correlated electron-nuclear-photon problems in detail. We demonstrate how an expansion in terms of conditional electronic and photon-nuclear wave functions accurately describes eigenstates of strongly correlated light-matter systems. For a GaAs quantum ring model in resonance with a photon mode we highlight how the ground-state electronic potential-energy surface changes the usual harmonic potential of the free photon mode to a dressed mode with a double-well structure. This change is accompanied by a splitting of the electronic ground-state density. For a model where the photon mode is in resonance with a vibrational transition, we observe in the excited-state electronic potential-energy surface a splitting from a single minimum to a double minimum. Furthermore, for a time-dependent setup, we show how the dynamics in correlated light-matter systems can be understood in terms of population transfer between potential energy surfaces. This work at the interface of quantum chemistry and quantum optics paves the way for the full ab initio description of matter-photon systems.

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

NASA Astrophysics Data System (ADS)

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.

Effects of nuclear forces on ion thermalization in high-temperature plasmas

NASA Technical Reports Server (NTRS)

Gould, R. J.

1982-01-01

A number of investigations have been concerned with the kinetic theory and processes associated with a relativistic electron gas. Gould (1981) has considered a condition in which upon the ultimate thermalization the temperature can be such that the electron gas is highly relativistic while the gas of protons and other ions is nonrelativistic. With the nuclear component nonrelativistic but having energies in the MeV range and above, it is necessary to consider the effects of nuclear forces in the scattering of the ions in their thermalization. The effects of nuclear forces in the thermalization of ions in plasmas have been computed, principally in connection with problems of controlle; fusion. The present investigation is concerned with an attempt to express results in analytic form to as great a degree as possible. The p-p problem, which is the fundamental problem in astrophysical plasma, is studied. Attention is given to a low-energy formulation, the s-wave phase shift, the effective stopping number, Fokker-Planck operators, and the interaction with the electron gas.

Protecting a Diamond Quantum Memory by Charge State Control.

PubMed

Pfender, Matthias; Aslam, Nabeel; Simon, Patrick; Antonov, Denis; Thiering, Gergő; Burk, Sina; Fávaro de Oliveira, Felipe; Denisenko, Andrej; Fedder, Helmut; Meijer, Jan; Garrido, Jose A; Gali, Adam; Teraji, Tokuyuki; Isoya, Junichi; Doherty, Marcus William; Alkauskas, Audrius; Gallo, Alejandro; Grüneis, Andreas; Neumann, Philipp; Wrachtrup, Jörg

2017-10-11

In recent years, solid-state spin systems have emerged as promising candidates for quantum information processing. Prominent examples are the nitrogen-vacancy (NV) center in diamond, phosphorus dopants in silicon (Si:P), rare-earth ions in solids, and V Si -centers in silicon-carbide. The Si:P system has demonstrated that its nuclear spins can yield exceedingly long spin coherence times by eliminating the electron spin of the dopant. For NV centers, however, a proper charge state for storage of nuclear spin qubit coherence has not been identified yet. Here, we identify and characterize the positively charged NV center as an electron-spin-less and optically inactive state by utilizing the nuclear spin qubit as a probe. We control the electronic charge and spin utilizing nanometer scale gate electrodes. We achieve a lengthening of the nuclear spin coherence times by a factor of 4. Surprisingly, the new charge state allows switching of the optical response of single nodes facilitating full individual addressability.

Extending the electron spin coherence time of atomic hydrogen by dynamical decoupling.

PubMed

Mitrikas, George; Efthimiadou, Eleni K; Kordas, George

2014-02-14

We study the electron spin decoherence of encapsulated atomic hydrogen in octasilsesquioxane cages induced by the (1)H and (29)Si nuclear spin bath. By applying the Carr-Purcell-Meiboom-Gill (CPMG) pulse sequence we significantly suppress the low-frequency noise due to nuclear spin flip-flops up to the point where a maximum T2 = 56 μs is observed. Moreover, dynamical decoupling with the CPMG sequence reveals the existence of two other sources of decoherence: first, a classical magnetic field noise imposed by the (1)H nuclear spins of the cage organic substituents, which can be described by a virtual fluctuating magnetic field with the proton Larmor frequency, and second, decoherence due to anisotropic hyperfine coupling between the electron and the inner (29)Si spins of the cage.

Theoretical study of NMR, infrared and Raman spectra on triple-decker phthalocyanines

NASA Astrophysics Data System (ADS)

Suzuki, Atsushi; Oku, Takeo

2016-02-01

Electronic structures and magnetic properties of multi-decker phthalocyanines were studied by theoretical calculation. Electronic structures, excited processes at multi-states, isotropic chemical shifts of 13C, 14N and 1H-nuclear magnetic resonance (NMR), principle V-tensor in electronic field gradient (EFG) tensor and asymmetry parameters (η), vibration mode in infrared (IR) and Raman spectra of triple-decker phthalocyanines were calculated by density functional theory (DFT) and time-dependent DFT using B3LYP as basis function. Electron density distribution was delocalized on the phthalocyanine rings with electron static potential. Considerable separation of chemical shifts in 13C, 14N and 1H-NMR was originated from nuclear spin interaction between nitrogen and carbon atoms, nuclear quadrupole interaction based on EFG and η of central metal under crystal field. Calculated optical absorption at multi-excited process was derived from overlapping π-orbital on the phthalocyanine rings. The vibration modes in IR and Raman spectra were based on in-plane deformation and stretching vibrations of metal-ligand coordination bond on the deformed structure.

Effect of electron spin-spin interaction on level crossings and spin flips in a spin-triplet system

NASA Astrophysics Data System (ADS)

Jia, Wei; Hu, Fang-Qi; Wu, Ning; Zhao, Qing

2017-12-01

We study level crossings and spin flips in a system consisting of a spin-1 (an electron spin triplet) coupled to a nuclear spin of arbitrary size K , in the presence of a uniform magnetic field and the electron spin-spin interaction within the triplet. Through an analytical diagonalization based on the SU (3 ) Lie algebra, we find that the electron spin-spin interaction not only removes the curious degeneracy which appears in the absence of the interaction, but also produces some level anticrossings (LACs) for strong interactions. The real-time dynamics of the system shows that periodic spin flips occur at the LACs for arbitrary K , which might provide an option for nuclear or electron spin polarization.

Quantum many-body theory for electron spin decoherence in nanoscale nuclear spin baths.

PubMed

Yang, Wen; Ma, Wen-Long; Liu, Ren-Bao

2017-01-01

Decoherence of electron spins in nanoscale systems is important to quantum technologies such as quantum information processing and magnetometry. It is also an ideal model problem for studying the crossover between quantum and classical phenomena. At low temperatures or in light-element materials where the spin-orbit coupling is weak, the phonon scattering in nanostructures is less important and the fluctuations of nuclear spins become the dominant decoherence mechanism for electron spins. Since the 1950s, semi-classical noise theories have been developed for understanding electron spin decoherence. In spin-based solid-state quantum technologies, the relevant systems are in the nanometer scale and nuclear spin baths are quantum objects which require a quantum description. Recently, quantum pictures have been established to understand the decoherence and quantum many-body theories have been developed to quantitatively describe this phenomenon. Anomalous quantum effects have been predicted and some have been experimentally confirmed. A systematically truncated cluster-correlation expansion theory has been developed to account for the many-body correlations in nanoscale nuclear spin baths that are built up during electron spin decoherence. The theory has successfully predicted and explained a number of experimental results in a wide range of physical systems. In this review, we will cover this recent progress. The limitations of the present quantum many-body theories and possible directions for future development will also be discussed.

Electron-deuteron DIS with spectator tagging at EIC: Development of theoretical framework

DOE Office of Scientific and Technical Information (OSTI.GOV)

Cosyn, Wim B.; Guzey, Vadim A.; Sargsian, Misak M.

2016-03-01

An Electron-Ion Collider (EIC) would enable next-generation measurements of deep-inelastic scattering (DIS) on the deuteron with detection of a forward-moving nucleon (p, n) and measurement of its recoil momentum ("spectator tagging''). Such experiments offer full control of the nuclear configuration during the high-energy process and can be used for precision studies of the neutron's partonic structure and its spin dependence, nuclear modifications of partonic structure, and nuclear shadowing at small x. We review the theoretical description of spectator tagging at EIC energies (light-front nuclear structure, on-shell extrapolation in the recoil nucleon momentum, final-state interactions, diffractive effects at small x) andmore » report about on-going developments.« less

Jefferson Lab Science: Present and Future

DOE PAGES

McKeown, Robert D.

2015-02-12

The Continuous Electron Beam Accelerator Facility (CEBAF) and associated experimental equipment at Jefferson Lab comprise a unique facility for experimental nuclear physics. Furthermore, this facility is presently being upgraded, which will enable a new experimental program with substantial discovery potential to address important topics in nuclear, hadronic, and electroweak physics. Further in the future, it is envisioned that the Laboratory will evolve into an electron-ion colliding beam facility.

A multi-state trajectory method for non-adiabatic dynamics simulations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tao, Guohua, E-mail: taogh@pkusz.edu.cn

2016-03-07

A multi-state trajectory approach is proposed to describe nuclear-electron coupled dynamics in nonadiabatic simulations. In this approach, each electronic state is associated with an individual trajectory, among which electronic transition occurs. The set of these individual trajectories constitutes a multi-state trajectory, and nuclear dynamics is described by one of these individual trajectories as the system is on the corresponding state. The total nuclear-electron coupled dynamics is obtained from the ensemble average of the multi-state trajectories. A variety of benchmark systems such as the spin-boson system have been tested and the results generated using the quasi-classical version of the method showmore » reasonably good agreement with the exact quantum calculations. Featured in a clear multi-state picture, high efficiency, and excellent numerical stability, the proposed method may have advantages in being implemented to realistic complex molecular systems, and it could be straightforwardly applied to general nonadiabatic dynamics involving multiple states.« less

Promyelocytic Leukemia (Pml) Nuclear Bodies Are Protein Structures That Do Not Accumulate RNA

PubMed Central

Boisvert, François-Michel; Hendzel, Michael J.; Bazett-Jones, David P.

2000-01-01

The promyelocytic leukemia (PML) nuclear body (also referred to as ND10, POD, and Kr body) is involved in oncogenesis and viral infection. This subnuclear domain has been reported to be rich in RNA and a site of nascent RNA synthesis, implicating its direct involvement in the regulation of gene expression. We used an analytical transmission electron microscopic method to determine the structure and composition of PML nuclear bodies and the surrounding nucleoplasm. Electron spectroscopic imaging (ESI) demonstrates that the core of the PML nuclear body is a dense, protein-based structure, 250 nm in diameter, which does not contain detectable nucleic acid. Although PML nuclear bodies contain neither chromatin nor nascent RNA, newly synthesized RNA is associated with the periphery of the PML nuclear body, and is found within the chromatin-depleted region of the nucleoplasm immediately surrounding the core of the PML nuclear body. We further show that the RNA does not accumulate in the protein core of the structure. Our results dismiss the hypothesis that the PML nuclear body is a site of transcription, but support the model in which the PML nuclear body may contribute to the formation of a favorable nuclear environment for the expression of specific genes. PMID:10648561

Compact Short-Pulsed Electron Linac Based Neutron Sources for Precise Nuclear Material Analysis

NASA Astrophysics Data System (ADS)

Uesaka, M.; Tagi, K.; Matsuyama, D.; Fujiwara, T.; Dobashi, K.; Yamamoto, M.; Harada, H.

2015-10-01

An X-band (11.424GHz) electron linac as a neutron source for nuclear data study for the melted fuel debris analysis and nuclear security in Fukushima is under development. Originally we developed the linac for Compton scattering X-ray source. Quantitative material analysis and forensics for nuclear security will start several years later after the safe settlement of the accident is established. For the purpose, we should now accumulate more precise nuclear data of U, Pu, etc., especially in epithermal (0.1-10 eV) neutrons. Therefore, we have decided to modify and install the linac in the core space of the experimental nuclear reactor "Yayoi" which is now under the decommission procedure. Due to the compactness of the X-band linac, an electron gun, accelerating tube and other components can be installed in a small space in the core. First we plan to perform the time-of-flight (TOF) transmission measurement for study of total cross sections of the nuclei for 0.1-10 eV energy neutrons. Therefore, if we adopt a TOF line of less than 10m, the o-pulse length of generated neutrons should be shorter than 100 ns. Electronenergy, o-pulse length, power, and neutron yield are ~30 MeV, 100 ns - 1 micros, ~0.4 kW, and ~1011 n/s (~103 n/cm2/s at samples), respectively. Optimization of the design of a neutron target (Ta, W, 238U), TOF line and neutron detector (Ce:LiCAF) of high sensitivity and fast response is underway. We are upgrading the electron gun and a buncher to realize higher current and beam power with a reasonable beam size in order to avoid damage of the neutron target. Although the neutron flux is limited in case of the X-band electron linac based source, we take advantage of its short pulse aspect and availability for nuclear data measurement with a short TOF system. First, we form a tentative configuration in the current experimental room for Compton scattering in 2014. Then, after the decommissioning has been finished, we move it to the "Yayoi" room and perform the operation and measurement.

Neutrino-pair emission from nuclear de-excitation in core-collapse supernova simulations

NASA Astrophysics Data System (ADS)

Fischer, T.; Langanke, K.; Martínez-Pinedo, G.

2013-12-01

We study the impact of neutrino-pair production from the de-excitation of highly excited heavy nuclei on core-collapse supernova simulations, following the evolution up to several 100 ms after core bounce. Our study is based on the agile-boltztransupernova code, which features general relativistic radiation hydrodynamics and accurate three-flavor Boltzmann neutrino transport in spherical symmetry. In our simulations the nuclear de-excitation process is described in two different ways. At first we follow the approach proposed by Fuller and Meyer [Astrophys. J.AJLEEY0004-637X10.1086/170317 376, 701 (1991)], which is based on strength functions derived in the framework of the nuclear Fermi-gas model of noninteracting nucleons. Second, we parametrize the allowed and forbidden strength distributions in accordance with measurements for selected nuclear ground states. We determine the de-excitation strength by applying the Brink hypothesis and detailed balance. For both approaches, we find that nuclear de-excitation has no effect on the supernova dynamics. However, we find that nuclear de-excitation is the leading source for the production of electron antineutrinos as well as heavy-lepton-flavor (anti)neutrinos during the collapse phase. At sufficiently high densities, the associated neutrino spectra are influenced by interactions with the surrounding matter, making proper simulations of neutrino transport important for the determination of the neutrino-energy loss rate. We find that, even including nuclear de-excitations, the energy loss during the collapse phase is overwhelmingly dominated by electron neutrinos produced by electron capture.

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A study of intrinsic statistical variation for low-energy nuclear recoils in liquid xenon detector for dark matter searches

NASA Astrophysics Data System (ADS)

Wang, Lu; Wei, Wenzhao; Mei, Dongming; Cubed Collaboration

2015-10-01

Noble liquid xenon experiments, such as XENON100, LUX, XENON 1-Ton, and LZ are large dark matter experiments directly searches for weakly interacting massive particles (WIMPs). One of the most important features is to discriminate nuclear recoils from electronic recoils. Detector response is generally calibrated with different radioactive sources including 83mKr, tritiated methane, 241AmBe, 252Cf, and DD-neutrons. The electronic recoil and nuclear recoil bands have been determined by these calibrations. However, the width of nuclear recoil band needs to be fully understood. We derive a theoretical model to understand the correlation of the width of nuclear recoil band and intrinsic statistical variation. In addition, we conduct experiments to validate the theoretical model. In this paper, we present the study of intrinsic statistical variation contributing to the width of nuclear recoil band. DE-FG02-10ER46709 and the state of South Dakota.

High-efficiency optical pumping of nuclear polarization in a GaAs quantum well

NASA Astrophysics Data System (ADS)

Mocek, R. W.; Korenev, V. L.; Bayer, M.; Kotur, M.; Dzhioev, R. I.; Tolmachev, D. O.; Cascio, G.; Kavokin, K. V.; Suter, D.

2017-11-01

The dynamic polarization of nuclear spins by photoexcited electrons is studied in a high quality GaAs/AlGaAs quantum well. We find a surprisingly high efficiency of the spin transfer from the electrons to the nuclei as reflected by a maximum nuclear field of 0.9 T in a tilted external magnetic field of 1 T strength only. This high efficiency is due to a low leakage of spin out of the polarized nuclear system, because mechanisms of spin relaxation other than the hyperfine interaction are strongly suppressed, leading to a long nuclear relaxation time of up to 1000 s. A key ingredient to that end is the low impurity concentration inside the heterostructure, while the electrostatic potential from charged impurities in the surrounding barriers becomes screened through illumination by which the spin relaxation time is increased compared to keeping the system in the dark. This finding indicates a strategy for obtaining high nuclear spin polarization as required for long-lasting carrier spin coherence.

Many-body kinetics of dynamic nuclear polarization by the cross effect

NASA Astrophysics Data System (ADS)

Karabanov, A.; Wiśniewski, D.; Raimondi, F.; Lesanovsky, I.; Köckenberger, W.

2018-03-01

Dynamic nuclear polarization (DNP) is an out-of-equilibrium method for generating nonthermal spin polarization which provides large signal enhancements in modern diagnostic methods based on nuclear magnetic resonance. A particular instance is cross-effect DNP, which involves the interaction of two coupled electrons with the nuclear spin ensemble. Here we develop a theory for this important DNP mechanism and show that the nonequilibrium nuclear polarization buildup is effectively driven by three-body incoherent Markovian dissipative processes involving simultaneous state changes of two electrons and one nucleus. We identify different parameter regimes for effective polarization transfer and discuss under which conditions the polarization dynamics can be simulated by classical kinetic Monte Carlo methods. Our theoretical approach allows simulations of the polarization dynamics on an individual spin level for ensembles consisting of hundreds of nuclear spins. The insight obtained by these simulations can be used to find optimal experimental conditions for cross-effect DNP and to design tailored radical systems that provide optimal DNP efficiency.

Delayed entanglement echo for individual control of a large number of nuclear spins

PubMed Central

Wang, Zhen-Yu; Casanova, Jorge; Plenio, Martin B.

2017-01-01

Methods to selectively detect and manipulate nuclear spins by single electrons of solid-state defects play a central role for quantum information processing and nanoscale nuclear magnetic resonance (NMR). However, with standard techniques, no more than eight nuclear spins have been resolved by a single defect centre. Here we develop a method that improves significantly the ability to detect, address and manipulate nuclear spins unambiguously and individually in a broad frequency band by using a nitrogen-vacancy (NV) centre as model system. On the basis of delayed entanglement control, a technique combining microwave and radio frequency fields, our method allows to selectively perform robust high-fidelity entangling gates between hardly resolved nuclear spins and the NV electron. Long-lived qubit memories can be naturally incorporated to our method for improved performance. The application of our ideas will increase the number of useful register qubits accessible to a defect centre and improve the signal of nanoscale NMR. PMID:28256508

Delayed entanglement echo for individual control of a large number of nuclear spins.

PubMed

Wang, Zhen-Yu; Casanova, Jorge; Plenio, Martin B

2017-03-03

Methods to selectively detect and manipulate nuclear spins by single electrons of solid-state defects play a central role for quantum information processing and nanoscale nuclear magnetic resonance (NMR). However, with standard techniques, no more than eight nuclear spins have been resolved by a single defect centre. Here we develop a method that improves significantly the ability to detect, address and manipulate nuclear spins unambiguously and individually in a broad frequency band by using a nitrogen-vacancy (NV) centre as model system. On the basis of delayed entanglement control, a technique combining microwave and radio frequency fields, our method allows to selectively perform robust high-fidelity entangling gates between hardly resolved nuclear spins and the NV electron. Long-lived qubit memories can be naturally incorporated to our method for improved performance. The application of our ideas will increase the number of useful register qubits accessible to a defect centre and improve the signal of nanoscale NMR.

Role of nuclear reactions on stellar evolution of intermediate-mass stars

NASA Astrophysics Data System (ADS)

Möller, H.; Jones, S.; Fischer, T.; Martínez-Pinedo, G.

2018-01-01

The evolution of intermediate-mass stars (8 - 12 solar masses) represents one of the most challenging subjects in nuclear astrophysics. Their final fate is highly uncertain and strongly model dependent. They can become white dwarfs, they can undergo electron-capture or core-collapse supernovae or they might even proceed towards explosive oxygen burning and a subsequent thermonuclear explosion. We believe that an accurate description of nuclear reactions is crucial for the determination of the pre-supernova structure of these stars. We argue that due to the possible development of an oxygen-deflagration, a hydrodynamic description has to be used. We implement a nuclear reaction network with ∼200 nuclear species into the implicit hydrodynamic code AGILE. The reaction network considers all relevant nuclear electron captures and beta-decays. For selected relevant nuclear species, we include a set of updated reaction rates, for which we discuss the role for the evolution of the stellar core, at the example of selected stellar models. We find that the final fate of these intermediate-mass stars depends sensitively on the density threshold for weak processes that deleptonize the core.

High-Resolution Scanning Electron Microscopy and Immuno-Gold Labeling of the Nuclear Lamina and Nuclear Pore Complex.

PubMed

Goldberg, Martin W

2016-01-01

Scanning electron microscopy (SEM) is a technique used to image surfaces. Field emission SEMs (feSEMs) can resolve structures that are ~0.5-1.5 nm apart. FeSEM, therefore is a useful technique for imaging molecular structures that exist at surfaces such as membranes. The nuclear envelope consists of four membrane surfaces, all of which may be accessible for imaging. Imaging of the cytoplasmic face of the outer membrane gives information about ribosomes and cytoskeletal attachments, as well as details of the cytoplasmic peripheral components of the nuclear pore complex, and is the most easily accessed surface. The nucleoplasmic face of the inner membrane is easily accessible in some cells, such as amphibian oocytes, giving valuable details about the organization of the nuclear lamina and how it interacts with the nuclear pore complexes. The luminal faces of both membranes are difficult to access, but may be exposed by various fracturing techniques. Protocols are presented here for the preparation, labeling, and feSEM imaging of Xenopus laevis oocyte nuclear envelopes.

Measurement of Nuclear Recoils in the CDMS II Dark Matter Search

NASA Astrophysics Data System (ADS)

Fallows, Scott M.

The Cryogenic Dark Matter Search (CDMS) experiment is designed to directly detect elastic scatters of weakly-interacting massive dark matter particles (WIMPs), on target nuclei in semiconductor crystals composed of Si and Ge. These scatters would occur very rarely, in an overwhelming background composed primarily of electron recoils from photons and electrons, as well as a smaller but non-negligible background of WIMP-like nuclear recoils from neutrons. The CDMS~II generation of detectors simultaneously measure ionization and athermal phonon signals from each scatter, allowing discrimination against virtually all electron recoils in the detector bulk. Pulse-shape timing analysis allows discrimination against nearly all remaining electron recoils taking place near detector surfaces. Along with carefully limited neutron backgrounds, this experimental program allowed for "background-free'' operation of CDMS~II at Soudan, with less than one background event expected in each WIMP-search analysis. As a result, exclusionary upper-limits on WIMP-nucleon interaction cross section were placed over a wide range of candidate WIMP masses, ruling out large new regions of parameter space. These results, like any others, are subject to a variety of systematic effects that may alter their final interpretations. A primary focus of this dissertation will be difficulties in precisely calibrating the energy scale for nuclear recoil events like those from WIMPs. Nuclear recoils have suppressed ionization signals relative to electron recoils of the same recoil energy, so the response of the detectors is calibrated differently for each recoil type. The overall normalization and linearity of the energy scale for electron recoils in CDMS~II detectors is clearly established by peaks of known gamma energy in the ionization spectrum of calibration data from a 133Ba source. This electron-equivalent keVee) energy scale enables calibration of the total phonon signal (keVt) by enforcing unity yield for electron recoils, in aggregate. Subtracting an event's Luke phonon contribution from its calibrated total phonon energy (keV t), as measured by the ionization signal, results in a valid measure of the true recoil energy (keVr) for both electron and nuclear recoils. I discuss systematic uncertainties affecting the reconstruction of this recoil energy, the primary analysis variable, and use several methods to constrain their magnitude. I present the resulting adjusted WIMP limits and discuss their impact in the context of current and projected constraints on the parameter space for WIMP interactions.

Communication: Vibrational and vibronic coherences in the two dimensional spectroscopy of coupled electron-nuclear motion.

PubMed

Albert, Julian; Falge, Mirjam; Gomez, Sandra; Sola, Ignacio R; Hildenbrand, Heiko; Engel, Volker

2015-07-28

We theoretically investigate the photon-echo spectroscopy of coupled electron-nuclear quantum dynamics. Two situations are treated. In the first case, the Born-Oppenheimer (adiabatic) approximation holds. It is then possible to interpret the two-dimensional (2D) spectra in terms of vibrational motion taking place in different electronic states. In particular, pure vibrational coherences which are related to oscillations in the time-dependent third-order polarization can be identified. This concept fails in the second case, where strong non-adiabatic coupling leads to the breakdown of the Born-Oppenheimer-approximation. Then, the 2D-spectra reveal a complicated vibronic structure and vibrational coherences cannot be disentangled from the electronic motion.

Communication: Vibrational and vibronic coherences in the two dimensional spectroscopy of coupled electron-nuclear motion

DOE Office of Scientific and Technical Information (OSTI.GOV)

Albert, Julian; Falge, Mirjam; Hildenbrand, Heiko

2015-07-28

We theoretically investigate the photon-echo spectroscopy of coupled electron-nuclear quantum dynamics. Two situations are treated. In the first case, the Born-Oppenheimer (adiabatic) approximation holds. It is then possible to interpret the two-dimensional (2D) spectra in terms of vibrational motion taking place in different electronic states. In particular, pure vibrational coherences which are related to oscillations in the time-dependent third-order polarization can be identified. This concept fails in the second case, where strong non-adiabatic coupling leads to the breakdown of the Born-Oppenheimer-approximation. Then, the 2D-spectra reveal a complicated vibronic structure and vibrational coherences cannot be disentangled from the electronic motion.

Communication: XFAIMS—eXternal Field Ab Initio Multiple Spawning for electron-nuclear dynamics triggered by short laser pulses

DOE PAGES

Mignolet, Benoit; Curchod, Basile F. E.; Martinez, Todd J.

2016-11-17

Attoscience is an emerging field where attosecond pulses or few cycle IR pulses are used to pump and probe the correlated electron-nuclear motion of molecules. We present the trajectory-guided eXternal Field Ab Initio Multiple Spawning (XFAIMS) method that models such experiments “on-the-fly,” from laser pulse excitation to fragmentation or nonadiabatic relaxation to the ground electronic state. For the photoexcitation of the LiH molecule, we show that XFAIMS gives results in close agreement with numerically exact quantum dynamics simulations, both for atto- and femtosecond laser pulses. As a result, we then show the ability of XFAIMS to model the dynamics inmore » polyatomic molecules by studying the effect of nuclear motion on the photoexcitation of a sulfine (H 2CSO).« less

ESR Detection of optical dynamic nuclear polarization in GaAs/Al{sub x}Ga{sub 1-x}As quantum wells at unity filling factor in the quantum Hall effect

DOE Office of Scientific and Technical Information (OSTI.GOV)

Vitkalov, Sergey A.; Bowers, C. Russell; Simmons, Jerry A.

2000-02-15

This paper presents a study of the enhancement of the Zeeman energy of two-dimensional (2D) conduction electrons near the {nu}=1 filling factor of the quantum Hall effect by optical dynamic nuclear polarization. The change in the Zeeman energy is determined from the Overhauser shift of the transport detected electron spin resonance in GaAs/Al{sub x}Ga{sub 1-x}As multiquantum wells. In a separate experiment the NMR signal enhancement factor is obtained by radio frequency detected nuclear magnetic resonance under similar conditions in the same sample. These measurements afford an estimation of the hyperfine coupling constant between the nuclei and 2D conduction electrons. (c)more » 2000 The American Physical Society.« less

The electron screening puzzle and nuclear clustering

DOE PAGES

Spitaleri, C.; Bertulani, C. A.; Fortunato, L.; ...

2016-02-12

Accurate measurements of nuclear reactions of astrophysical interest within, or close to, the Gamow peak show evidence of an unexpected effect attributed to the presence of atomic electrons in the target. The experiments need to include an effective "screening" potential to explain the enhancement of the cross sections at the lowest measurable energies. Despite various theoretical studies conducted over the past 20 years and numerous experimental measurements, a theory has not yet been found that can explain the cause of the exceedingly high values of the screening potential needed to explain the data. Furthermore, in this letter we show thatmore » instead of an atomic physics solution of the "electron screening puzzle", the reason for the large screening potential values is in fact due to clusterization effects in nuclear reactions, in particular for reaction involving light nuclei.« less

Off-resonance NOVEL

NASA Astrophysics Data System (ADS)

Jain, Sheetal K.; Mathies, Guinevere; Griffin, Robert G.

2017-10-01

Dynamic nuclear polarization (DNP) is theoretically able to enhance the signal in nuclear magnetic resonance (NMR) experiments by a factor γe/γn, where γ 's are the gyromagnetic ratios of an electron and a nuclear spin. However, DNP enhancements currently achieved in high-field, high-resolution biomolecular magic-angle spinning NMR are well below this limit because the continuous-wave DNP mechanisms employed in these experiments scale as ω0-n where n ˜ 1-2. In pulsed DNP methods, such as nuclear orientation via electron spin-locking (NOVEL), the DNP efficiency is independent of the strength of the main magnetic field. Hence, these methods represent a viable alternative approach for enhancing nuclear signals. At 0.35 T, the NOVEL scheme was demonstrated to be efficient in samples doped with stable radicals, generating 1H NMR enhancements of ˜430. However, an impediment in the implementation of NOVEL at high fields is the requirement of sufficient microwave power to fulfill the on-resonance matching condition, ω0I = ω1S, where ω0I and ω1S are the nuclear Larmor and electron Rabi frequencies, respectively. Here, we exploit a generalized matching condition, which states that the effective Rabi frequency, ω1S e f f, matches ω0I. By using this generalized off-resonance matching condition, we generate 1H NMR signal enhancement factors of 266 (˜70% of the on-resonance NOVEL enhancement) with ω1S/2π = 5 MHz. We investigate experimentally the conditions for optimal transfer of polarization from electrons to 1H both for the NOVEL mechanism and the solid-effect mechanism and provide a unified theoretical description for these two historically distinct forms of DNP.

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X-ray free-electron laser oscillator with nuclear-resonant cavity stabilization and quantum-optical applications

DOE PAGES

Adams, Bernhard W.; Kim, Kwang -Je

2016-08-09

Here, x-ray free-electron-laser oscillators with nuclear-resonant cavity stabilization (NRS-XFELO) hold the promise for providing x-rays with unprecedented coherence properties that will enable interesting quantum-optical and metrological applications. Among these are atom optics with x-ray-based optical elements providing high momentum transfer, or a frequency standard far surpassing the best state-of the-art atomic clocks.

Search for Nuclear Excitation by Electronic Transition in U-235

NASA Astrophysics Data System (ADS)

Chodash, P. A.; Norman, E. B.; Burke, J. T.; Wilks, S. C.; Casperson, R. J.; Swanberg, E. L.; Wakeling, M. A.; Cordeiro, T. J.

2013-10-01

Nuclear excitation by electronic transition (NEET) is a rare nuclear excitation that is predicted to occur in numerous isotopes, including U-235. When a nuclear transition matches the energy and the multipolarity of an electronic transition, there is a possibility that NEET will occur. If NEET were to occur in U-235, the nucleus would be excited to its 1/2 + isomeric state that subsequently decays by internal conversion with a decay energy of 77 eV and a half-life of 26 minutes. Theory predicts that NEET can occur in partially ionized uranium plasma with a charge state of 23 +. A pulsed Nd:YAG laser operating at 1064 nm with a pulse energy of 780 mJ and a pulse width of 9 ns was used to generate the uranium plasma. The plasma was collected on a plate and the internal conversion electrons were focused onto a microchannel plate detector by a series of electrostatic lenses. Depleted uranium and highly enriched uranium samples were used for the experiment. Preliminary results will be presented. This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under contract DE-AC52-07NA27344. This work was further supported by the U.S. DHS, UC Berkeley, and the NNIS Fellowship.

Two-temperature model in molecular dynamics simulations of cascades in Ni-based alloys

DOE PAGES

Zarkadoula, Eva; Samolyuk, German; Weber, William J.

2017-01-03

In high-energy irradiation events, energy from the fast moving ion is transferred to the system via nuclear and electronic energy loss mechanisms. The nuclear energy loss results in the creation of point defects and clusters, while the energy transferred to the electrons results in the creation of high electronic temperatures, which can affect the damage evolution. In this paper, we perform molecular dynamics simulations of 30 keV and 50 keV Ni ion cascades in nickel-based alloys without and with the electronic effects taken into account. We compare the results of classical molecular dynamics (MD) simulations, where the electronic effects aremore » ignored, with results from simulations that include the electronic stopping only, as well as simulations where both the electronic stopping and the electron-phonon coupling are incorporated, as described by the two temperature model (2T-MD). Finally, our results indicate that the 2T-MD leads to a smaller amount of damage, more isolated defects and smaller defect clusters.« less

Nuclear-driven electron spin rotations in a coupled silicon quantum dot and single donor system

NASA Astrophysics Data System (ADS)

Harvey-Collard, Patrick; Jacobson, Noah Tobias; Rudolph, Martin; Ten Eyck, Gregory A.; Wendt, Joel R.; Pluym, Tammy; Lilly, Michael P.; Pioro-Ladrière, Michel; Carroll, Malcolm S.

Single donors in silicon are very good qubits. However, a central challenge is to couple them to one another. To achieve this, many proposals rely on using a nearby quantum dot (QD) to mediate an interaction. In this work, we demonstrate the coherent coupling of electron spins between a single 31P donor and an enriched 28Si metal-oxide-semiconductor few-electron QD. We show that the electron-nuclear spin interaction can drive coherent rotations between singlet and triplet electron spin states. Moreover, we are able to tune electrically the exchange interaction between the QD and donor electrons. The combination of single-nucleus-driven rotations and voltage-tunable exchange provides all elements for future all-electrical control of a spin qubit, and requires only a single dot and no additional magnetic field gradients. This work was performed, in part, at the Center for Integrated Nanotechnologies, an Office of Science User Facility operated for the U.S. Department of Energy (DOE) Office of Science. 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. DOE's National Nuclear Security Administration under Contract DE-AC04-94AL85000.

Control of coherence among the spins of a single electron and the three nearest neighbor {sup 13}C nuclei of a nitrogen-vacancy center in diamond

DOE Office of Scientific and Technical Information (OSTI.GOV)

Shimo-Oka, T.; Miwa, S.; Suzuki, Y.

2015-04-13

Individual nuclear spins in diamond can be optically detected through hyperfine couplings with the electron spin of a single nitrogen-vacancy (NV) center; such nuclear spins have outstandingly long coherence times. Among the hyperfine couplings in the NV center, the nearest neighbor {sup 13}C nuclear spins have the largest coupling strength. Nearest neighbor {sup 13}C nuclear spins have the potential to perform fastest gate operations, providing highest fidelity in quantum computing. Herein, we report on the control of coherences in the NV center where all three nearest neighbor carbons are of the {sup 13}C isotope. Coherence among the three and fourmore » qubits are generated and analyzed at room temperature.« less

Nuclear spin polarized H and D by means of spin-exchange optical pumping

NASA Astrophysics Data System (ADS)

Stenger, Jörn; Grosshauser, Carsten; Kilian, Wolfgang; Nagengast, Wolfgang; Ranzenberger, Bernd; Rith, Klaus; Schmidt, Frank

1998-01-01

Optically pumped spin-exchange sources for polarized hydrogen and deuterium atoms have been demonstrated to yield high atomic flow and high electron spin polarization. For maximum nuclear polarization the source has to be operated in spin temperature equilibrium, which has already been demonstrated for hydrogen. In spin temperature equilibrium the nuclear spin polarization PI equals the electron spin polarization PS for hydrogen and is even larger than PS for deuterium. We discuss the general properties of spin temperature equilibrium for a sample of deuterium atoms. One result are the equations PI=4PS/(3+PS2) and Pzz=PSṡPI, where Pzz is the nuclear tensor polarization. Furthermore we demonstrate that the deuterium atoms from our source are in spin temperature equilibrium within the experimental accuracy.

Orbital Electron Capture Rates in Extreme Astrophysical Environments

NASA Astrophysics Data System (ADS)

Martin, Matthew; McDonald, William; Leach, Kyle

2017-09-01

In an attempt to better understand EC decay rates in hot environments, we have developed a program to examine and parse all evaluated atomic and nuclear data. Taking into account the effects of ionization on accessible decay states and electron capture probabilities, half lives across the nuclear chart can be investigated without the need for theoretical estimates. Part of the ongoing project will include isolating stable isotopes that become unstable due to ionization and estimating their stability in these new environments. In addition, we hope to account for a thermal population of excited states to better simulate these environments. This should aide in the complete understanding of nuclear processes in these extreme astrophysical environments. This work is supported in part by the U.S. Department of Energy, Office of Science, Office of Nuclear Physics.

Electron microscopic characterization of nuclear egress in the sea urchin gastrula.

PubMed

LaMassa, Nicole; Arenas-Mena, Cesar; Phillips, Greg R

2018-05-01

Nuclear egress, also referred to as nuclear envelope (NE) budding, is a process of transport in which vesicles containing molecular complexes or viral particles leave the nucleus through budding from the inner nuclear membrane (INM) to enter the perinuclear space. Following this event, the perinuclear vesicles (PNVs) fuse with the outer nuclear membrane (ONM), where they release their contents into the cytoplasm. Nuclear egress is thought to participate in many functions such as viral replication, cellular differentiation, and synaptic development. The molecular basis for nuclear egress is now beginning to be elucidated. Here, we observe in the sea urchin gastrula, using serial section transmission electron microscopy, strikingly abundant PNVs containing as yet unidentified granules that resemble the ribonucleoprotein complexes (RNPs) previously observed in similar types of PNVs. Some PNVs were observed in the process of fusion with the ONM where they appeared to release their contents into the cytoplasm. These vesicles were abundantly observed in all three presumptive germ layers. These findings indicate that nuclear egress is likely to be an important mechanism for nucleocytoplasmic transfer during sea urchin development. The sea urchin may be a useful model to characterize further and gain a better understanding of the process of nuclear egress. © 2018 Wiley Periodicals, Inc.

Design of an electron-accelerator-driven compact neutron source for non-destructive assay

NASA Astrophysics Data System (ADS)

Murata, A.; Ikeda, S.; Hayashizaki, N.

2017-09-01

The threat of nuclear and radiological terrorism remains one of the greatest challenges to international security, and the threat is constantly evolving. In order to prevent nuclear terrorism, it is important to avoid unlawful import of nuclear materials, such as uranium and plutonium. Development of technologies for non-destructive measurement, detection and recognition of nuclear materials is essential for control at national borders. At Tokyo Institute of Technology, a compact neutron source system driven by an electron-accelerator has been designed for non-destructive assay (NDA). This system is composed of a combination of an S-band (2.856 GHz) RF-gun, a tungsten target to produce photons by bremsstrahlung, a beryllium target, which is suitable for use in generating neutrons because of the low threshold energy of photonuclear reactions, and a moderator to thermalize the fast neutrons. The advantage of this system can accelerate a short pulse beam with a pulse width less than 1 μs which is difficult to produce by neutron generators. The amounts of photons and neutron produced by electron beams were simulated using the Monte Carlo simulation code PHITS 2.82. When the RF-gun is operated with an average electron beam current of 0.1 mA, it is expected that the neutron intensities are 1.19 × 109 n/s and 9.94 × 109 n/s for incident electron beam energies of 5 MeV and 10 MeV, respectively.

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Crucial role of nuclear dynamics for electron injection in a dye–semiconductor complex

DOE PAGES

Monti, Adriano; Negre, Christian F. A.; Batista, Victor S.; ...

2015-06-05

In this study, we investigate the electron injection from a terrylene-based chromophore to the TiO 2 semiconductor bridged by a recently proposed phenyl-amide-phenyl molecular rectifier. The mechanism of electron transfer is studied by means of quantum dynamics simulations using an extended Hückel Hamiltonian. It is found that the inclusion of the nuclear motion is necessary to observe the photoinduced electron transfer. In particular, the fluctuations of the dihedral angle between the terrylene and the phenyl ring modulate the localization and thus the electronic coupling between the donor and acceptor states involved in the injection process. The electron propagation shows characteristicmore » oscillatory features that correlate with interatomic distance fluctuations in the bridge, which are associated with the vibrational modes driving the process. The understanding of such effects is important for the design of functional dyes with optimal injection and rectification properties.« less

Multiple stable states of a periodically driven electron spin in a quantum dot using circularly polarized light

NASA Astrophysics Data System (ADS)

Korenev, V. L.

2011-06-01

The periodical modulation of circularly polarized light with a frequency close to the electron spin resonance frequency induces a sharp change of the single electron spin orientation. Hyperfine interaction provides a feedback, thus fixing the precession frequency of the electron spin in the external and the Overhauser field near the modulation frequency. The nuclear polarization is bidirectional and the electron-nuclear spin system (ENSS) possesses a few stable states. The same physics underlie the frequency-locking effect for two-color and mode-locked excitations. However, the pulsed excitation with mode-locked laser brings about the multitudes of stable states in ENSS in a quantum dot. The resulting precession frequencies of the electron spin differ in these states by the multiple of the modulation frequency. Under such conditions ENSS represents a digital frequency converter with more than 100 stable channels.

Radiation effects in cubic zirconia: A model system for ceramic oxides

NASA Astrophysics Data System (ADS)

Thomé, L.; Moll, S.; Sattonnay, G.; Vincent, L.; Garrido, F.; Jagielski, J.

2009-06-01

Ceramics are key engineering materials for electronic, space and nuclear industry. Some of them are promising matrices for the immobilization and/or transmutation of radioactive waste. Cubic zirconia is a model system for the study of radiation effects in ceramic oxides. Ion beams are very efficient tools for the simulation of the radiations produced in nuclear reactors or in storage form. In this article, we summarize the work made by combining advanced techniques (RBS/C, XRD, TEM, AFM) to study the structural modifications produced in ion-irradiated cubic zirconia single crystals. Ions with energies in the MeV-GeV range allow exploring the nuclear collision and electronic excitation regimes. At low energy, where ballistic effects dominate, the damage exhibits a peak around the ion projected range; it accumulates with a double-step process by the formation of a dislocation network. At high energy, where electronic excitations are favored, the damage profiles are rather flat up to several micrometers; the damage accumulation is monotonous (one step) and occurs through the creation and overlap of ion tracks. These results may be generalized to many nuclear ceramics.

Live CLEM imaging to analyze nuclear structures at high resolution.

PubMed

Haraguchi, Tokuko; Osakada, Hiroko; Koujin, Takako

2015-01-01

Fluorescence microscopy (FM) and electron microscopy (EM) are powerful tools for observing molecular components in cells. FM can provide temporal information about cellular proteins and structures in living cells. EM provides nanometer resolution images of cellular structures in fixed cells. We have combined FM and EM to develop a new method of correlative light and electron microscopy (CLEM), called "Live CLEM." In this method, the dynamic behavior of specific molecules of interest is first observed in living cells using fluorescence microscopy (FM) and then cellular structures in the same cell are observed using electron microscopy (EM). Following image acquisition, FM and EM images are compared to enable the fluorescent images to be correlated with the high-resolution images of cellular structures obtained using EM. As this method enables analysis of dynamic events involving specific molecules of interest in the context of specific cellular structures at high resolution, it is useful for the study of nuclear structures including nuclear bodies. Here we describe Live CLEM that can be applied to the study of nuclear structures in mammalian cells.

Note on measuring electronic stopping of slow ions

NASA Astrophysics Data System (ADS)

Sigmund, P.; Schinner, A.

2017-11-01

Extracting stopping cross sections from energy-loss measurements requires careful consideration of the experimental geometry. Standard procedures for separating nuclear from electronic stopping treat electronic energy loss as a friction force, ignoring its dependence on impact parameter. In the present study we find that incorporating this dependence has a major effect on measured stopping cross sections, in particular for light ions at low beam energies. Calculations have been made for transmission geometry, nuclear interactions being quantified by Bohr-Williams theory of multiple scattering on the basis of a Thomas-Fermi-Molière potential, whereas electronic interactions are characterized by Firsov theory or PASS code. Differences between the full and the restricted stopping cross section depend on target thickness and opening angle of the detector and need to be taken into account in comparisons with theory as well as in applications of stopping data. It follows that the reciprocity principle can be violated when checked on restricted instead of full electronic stopping cross sections. Finally, we assert that a seeming gas-solid difference in stopping of low-energy ions is actually a metal-insulator difference. In comparisons with experimental results we mostly consider proton data, where nuclear stopping is only a minor perturbation.

Probing Fe-V Bonding in a C3-Symmetric Heterobimetallic Complex.

PubMed

Greer, Samuel M; McKay, Johannes; Gramigna, Kathryn M; Thomas, Christine M; Stoian, Sebastian A; Hill, Stephen

2018-04-30

Direct metal-metal bonding of two distinct first-row transition metals remains relatively unexplored compared to their second- and third-row heterobimetallic counterparts. Herein, a recently reported Fe-V triply bonded species, [V( i PrNPPh 2 ) 3 FeI] (1; Kuppuswamy, S.; Powers, T. M.; Krogman, J. P.; Bezpalko, M. W.; Foxman, B. M.; Thomas, C. M. Vanadium-iron complexes featuring metal-metal multiple bonds. Chem. Sci. 2013, 4, 3557-3565), is investigated using high-frequency electron paramagnetic resonance, field- and temperature-dependent 57 Fe nuclear gamma resonance (Mössbauer) spectroscopy, and high-field electron-electron double resonance detected nuclear magnetic resonance. From the use of this suite of physical methods, we have assessed the electronic structure of 1. These studies allow us to establish the effective g̃ tensors as well as the Fe/V electro-nuclear hyperfine interaction tensors of the spin S = 1 / 2 ground state. We have rationalized these tensors in the context of ligand field theory supported by quantum chemical calculations. This theoretical analysis suggests that the S = 1 / 2 ground state originates from a single unpaired electron predominately localized on the Fe site.

High-Frequency EPR and ENDOR Spectroscopy on Semiconductor Quantum Dots.

PubMed

Baranov, Pavel G; Orlinskii, Sergei B; de Mello Donegá, Celso; Schmidt, Jan

2010-10-01

It is shown that high-frequency electron paramagnetic resonance (EPR) and electron-nuclear double resonance (ENDOR) spectroscopy are excellent tools for the investigation of the electronic properties of semiconductor quantum dots (QDs). The great attractions of these techniques are that, in contrast to optical methods, they allow the identification of the dopants and provide information about the spatial distribution of the electronic wave function. This latter aspect is particularly attractive because it allows for a quantitative measurement of the effect of confinement on the shape and properties of the wave function. In this contribution EPR and ENDOR results are presented on doped ZnO QDs. Shallow donors (SDs), related to interstitial Li and Na and substitutional Al atoms, have been identified in this material by pulsed high-frequency EPR and ENDOR spectroscopy. The shallow character of the wave function of the donors is evidenced by the multitude of ENDOR transitions of the (67)Zn nuclear spins and by the hyperfine interaction of the (7)Li, (23)Na and (27)Al nuclear spins that are much smaller than for atomic lithium, sodium and aluminium. The EPR signal of an exchange-coupled pair consisting of a shallow donor and a deep Na-related acceptor has been identified in ZnO nanocrystals with radii smaller than 1.5 nm. From ENDOR experiments it is concluded that the deep Na-related acceptor is located at the interface of the ZnO core and the Zn(OH)(2) capping layer, while the shallow donor is in the ZnO core. The spatial distribution of the electronic wave function of a shallow donor in ZnO semiconductor QDs has been determined in the regime of quantum confinement by using the nuclear spins as probes. Hyperfine interactions as monitored by ENDOR spectroscopy quantitatively reveal the transition from semiconductor to molecular properties upon reduction of the size of the nanoparticles. In addition, the effect of confinement on the g-factor of SDs in ZnO as well as in CdS QDs is observed. Finally, it is shown that an almost complete dynamic nuclear polarization (DNP) of the (67)Zn nuclear spins in the core of ZnO QDs and of the (1)H nuclear spins in the Zn(OH)(2) capping layer can be obtained. This DNP is achieved by saturating the EPR transition of SDs present in the QDs with resonant high-frequency microwaves at low temperatures. This nuclear polarization manifests itself as a hole and an antihole in the EPR absorption line of the SD in the QDs and a shift of the hole (antihole). The enhancement of the nuclear polarization opens the possibility to study semiconductor nanostructures with nuclear magnetic resonance techniques.

High-Frequency EPR and ENDOR Spectroscopy on Semiconductor Quantum Dots

PubMed Central

Baranov, Pavel G.; de Mello Donegá, Celso; Schmidt, Jan

2010-01-01

It is shown that high-frequency electron paramagnetic resonance (EPR) and electron-nuclear double resonance (ENDOR) spectroscopy are excellent tools for the investigation of the electronic properties of semiconductor quantum dots (QDs). The great attractions of these techniques are that, in contrast to optical methods, they allow the identification of the dopants and provide information about the spatial distribution of the electronic wave function. This latter aspect is particularly attractive because it allows for a quantitative measurement of the effect of confinement on the shape and properties of the wave function. In this contribution EPR and ENDOR results are presented on doped ZnO QDs. Shallow donors (SDs), related to interstitial Li and Na and substitutional Al atoms, have been identified in this material by pulsed high-frequency EPR and ENDOR spectroscopy. The shallow character of the wave function of the donors is evidenced by the multitude of ENDOR transitions of the 67Zn nuclear spins and by the hyperfine interaction of the 7Li, 23Na and 27Al nuclear spins that are much smaller than for atomic lithium, sodium and aluminium. The EPR signal of an exchange-coupled pair consisting of a shallow donor and a deep Na-related acceptor has been identified in ZnO nanocrystals with radii smaller than 1.5 nm. From ENDOR experiments it is concluded that the deep Na-related acceptor is located at the interface of the ZnO core and the Zn(OH)2 capping layer, while the shallow donor is in the ZnO core. The spatial distribution of the electronic wave function of a shallow donor in ZnO semiconductor QDs has been determined in the regime of quantum confinement by using the nuclear spins as probes. Hyperfine interactions as monitored by ENDOR spectroscopy quantitatively reveal the transition from semiconductor to molecular properties upon reduction of the size of the nanoparticles. In addition, the effect of confinement on the g-factor of SDs in ZnO as well as in CdS QDs is observed. Finally, it is shown that an almost complete dynamic nuclear polarization (DNP) of the 67Zn nuclear spins in the core of ZnO QDs and of the 1H nuclear spins in the Zn(OH)2 capping layer can be obtained. This DNP is achieved by saturating the EPR transition of SDs present in the QDs with resonant high-frequency microwaves at low temperatures. This nuclear polarization manifests itself as a hole and an antihole in the EPR absorption line of the SD in the QDs and a shift of the hole (antihole). The enhancement of the nuclear polarization opens the possibility to study semiconductor nanostructures with nuclear magnetic resonance techniques. PMID:20936163

Optical hyperpolarization of 13C nuclear spins in nanodiamond ensembles

NASA Astrophysics Data System (ADS)

Chen, Q.; Schwarz, I.; Jelezko, F.; Retzker, A.; Plenio, M. B.

2015-11-01

Dynamical nuclear polarization holds the key for orders of magnitude enhancements of nuclear magnetic resonance signals which, in turn, would enable a wide range of novel applications in biomedical sciences. However, current implementations of DNP require cryogenic temperatures and long times for achieving high polarization. Here we propose and analyze in detail protocols that can achieve rapid hyperpolarization of 13C nuclear spins in randomly oriented ensembles of nanodiamonds at room temperature. Our protocols exploit a combination of optical polarization of electron spins in nitrogen-vacancy centers and the transfer of this polarization to 13C nuclei by means of microwave control to overcome the severe challenges that are posed by the random orientation of the nanodiamonds and their nitrogen-vacancy centers. Specifically, these random orientations result in exceedingly large energy variations of the electron spin levels that render the polarization and coherent control of the nitrogen-vacancy center electron spins as well as the control of their coherent interaction with the surrounding 13C nuclear spins highly inefficient. We address these challenges by a combination of an off-resonant microwave double resonance scheme in conjunction with a realization of the integrated solid effect which, together with adiabatic rotations of external magnetic fields or rotations of nanodiamonds, leads to a protocol that achieves high levels of hyperpolarization of the entire nuclear-spin bath in a randomly oriented ensemble of nanodiamonds even at room temperature. This hyperpolarization together with the long nuclear-spin polarization lifetimes in nanodiamonds and the relatively high density of 13C nuclei has the potential to result in a major signal enhancement in 13C nuclear magnetic resonance imaging and suggests functionalized and hyperpolarized nanodiamonds as a unique probe for molecular imaging both in vitro and in vivo.

Data Documentation for Navy Civilian Manpower Study,

DTIC Science & Technology

1986-09-01

Engineering 0830 Mechanical Engineer 0840 Nuclear Engineering 0850 Electrical Engineering 0855 Electronics Engineering 0856 Electronics ...OCCUPATIONAL LEVEL (DONOL) CODES DONOL code Title 1060 Engineering Drafting 1061 Electronics Technician w 1062 Engineering Technician 1063 Industrial...Architect 2314 Electrical Engineer 2315 Electronic Engineer 2316 Industrial Engineer 2317 Mechanical Engineer 2318

Digital Electronics for Nuclear Physics Experiments

NASA Astrophysics Data System (ADS)

Skulski, Wojtek; Hunter, David; Druszkiewicz, Eryk; Khaitan, Dev Ashish; Yin, Jun; Wolfs, Frank; SkuTek Instrumentation Team; Department of Physics; Astronomy, University of Rochester Team

2015-10-01

Future detectors in nuclear physics will use signal sampling as one of primary techniques of data acquisition. Using the digitized waveforms, the electronics can select events based on pulse shape, total energy, multiplicity, and the hit pattern. The DAQ for the LZ Dark Matter detector, now under development in Rochester, is a good example of the power of digital signal processing. This system, designed around 32-channel, FPGA-based, digital signal processors collects data from more than one thousand channels. The solutions developed for this DAQ can be applied to nuclear physics experiments. Supported by the Department of Energy Office of Science under Grant DE-SC0009543.

Nuclear quantum effects on adsorption of H2 and isotopologues on metal ions

NASA Astrophysics Data System (ADS)

Savchenko, Ievgeniia; Gu, Bing; Heine, Thomas; Jakowski, Jacek; Garashchuk, Sophya

2017-02-01

The nuclear quantum effects on the zero-point energy (ZPE), influencing adsorption of H2 and isotopologues on metal ions, are examined using normal mode analysis of ab initio electronic structure results for complexes with 17 metal cations. The lightest metallic nuclei, Li and Be, are found to be the most 'quantum'. The largest selectivity in adsorption is predicted for Cu, Ni and Co ions. Analysis of the nuclear wavepacket dynamics on the ground state electronic potential energy surfaces (PES) performed for complexes of Li+ and Cu+2 with H2/D2/HD shows that the PES anharmonicity changes the ZPE by up to 9%.

Inspection applications with higher electron beam energies

NASA Astrophysics Data System (ADS)

Norman, D. R.; Jones, J. L.; Yoon, W. Y.; Haskell, K. J.; Sterbentz, J. W.; Zabriskie, J. M.; Hunt, A. W.; Harmon, F.; Kinlaw, M. T.

2005-12-01

The Idaho National Laboratory has developed prototype shielded nuclear material detection systems based on pulsed photonuclear assessment (PPA) techniques for the inspection of cargo containers. During this work, increased nuclear material detection capabilities have been demonstrated at higher electron beam energies than those allowed by federal regulations for cargo inspection. This paper gives a general overview of a nuclear material detection system, the PPA technique and discusses the benefits of using these higher energies. This paper also includes a summary of the numerical and test results from LINAC operations up to 24 MeV and discusses some of the federal energy limitations associated with cargo inspection.

Excited-State Spin Manipulation and Intrinsic Nuclear Spin Memory using Single Nitrogen-Vacancy Centers in Diamond

NASA Astrophysics Data System (ADS)

Fuchs, Gregory

2011-03-01

Nitrogen vacancy (NV) center spins in diamond have emerged as a promising solid-state system for quantum information processing and precision metrology at room temperature. Understanding and developing the built-in resources of this defect center for quantum logic and memory is critical to achieving these goals. In the first case, we use nanosecond duration microwave manipulation to study the electronic spin of single NV centers in their orbital excited-state (ES). We demonstrate ES Rabi oscillations and use multi-pulse resonant control to differentiate between phonon-induced dephasing, orbital relaxation, and coherent electron-nuclear interactions. A second resource, the nuclear spin of the intrinsic nitrogen atom, may be an ideal candidate for a quantum memory due to both the long coherence of nuclear spins and their deterministic presence. We investigate coherent swaps between the NV center electronic spin state and the nuclear spin state of nitrogen using Landau-Zener transitions performed outside the asymptotic regime. The swap gates are generated using lithographically fabricated waveguides that form a high-bandwidth, two-axis vector magnet on the diamond substrate. These experiments provide tools for coherently manipulating and storing quantum information in a scalable solid-state system at room temperature. We gratefully acknowledge support from AFOSR, ARO, and DARPA.

All-electric control of donor nuclear spin qubits in silicon

NASA Astrophysics Data System (ADS)

Sigillito, Anthony J.; Tyryshkin, Alexei M.; Schenkel, Thomas; Houck, Andrew A.; Lyon, Stephen A.

2017-10-01

The electronic and nuclear spin degrees of freedom of donor impurities in silicon form ultra-coherent two-level systems that are potentially useful for applications in quantum information and are intrinsically compatible with industrial semiconductor processing. However, because of their smaller gyromagnetic ratios, nuclear spins are more difficult to manipulate than electron spins and are often considered too slow for quantum information processing. Moreover, although alternating current magnetic fields are the most natural choice to drive spin transitions and implement quantum gates, they are difficult to confine spatially to the level of a single donor, thus requiring alternative approaches. In recent years, schemes for all-electrical control of donor spin qubits have been proposed but no experimental demonstrations have been reported yet. Here, we demonstrate a scalable all-electric method for controlling neutral 31P and 75As donor nuclear spins in silicon. Using coplanar photonic bandgap resonators, we drive Rabi oscillations on nuclear spins exclusively using electric fields by employing the donor-bound electron as a quantum transducer, much in the spirit of recent works with single-molecule magnets. The electric field confinement leads to major advantages such as low power requirements, higher qubit densities and faster gate times. Additionally, this approach makes it possible to drive nuclear spin qubits either at their resonance frequency or at its first subharmonic, thus reducing device bandwidth requirements. Double quantum transitions can be driven as well, providing easy access to the full computational manifold of our system and making it convenient to implement nuclear spin-based qudits using 75As donors.

Development of utility generic functional requirements for electronic work packages and computer-based procedures

DOE Office of Scientific and Technical Information (OSTI.GOV)

Oxstrand, Johanna

The Nuclear Electronic Work Packages - Enterprise Requirements (NEWPER) initiative is a step toward a vision of implementing an eWP framework that includes many types of eWPs. This will enable immediate paper-related cost savings in work management and provide a path to future labor efficiency gains through enhanced integration and process improvement in support of the Nuclear Promise (Nuclear Energy Institute 2016). The NEWPER initiative was organized by the Nuclear Information Technology Strategic Leadership (NITSL) group, which is an organization that brings together leaders from the nuclear utility industry and regulatory agencies to address issues involved with information technology usedmore » in nuclear-power utilities. NITSL strives to maintain awareness of industry information technology-related initiatives and events and communicates those events to its membership. NITSL and LWRS Program researchers have been coordinating activities, including joint organization of NEWPER-related meetings and report development. The main goal of the NEWPER initiative was to develop a set of utility generic functional requirements for eWP systems. This set of requirements will support each utility in their process of identifying plant-specific functional and non-functional requirements. The NEWPER initiative has 140 members where the largest group of members consists of 19 commercial U.S. nuclear utilities and eleven of the most prominent vendors of eWP solutions. Through the NEWPER initiative two sets of functional requirements were developed; functional requirements for electronic work packages and functional requirements for computer-based procedures. This paper will describe the development process as well as a summary of the requirements.« less

Measurement of the scintillation time spectra and pulse-shape discrimination of low-energy β and nuclear recoils in liquid argon with DEAP-1

NASA Astrophysics Data System (ADS)

Amaudruz, P.-A.; Batygov, M.; Beltran, B.; Bonatt, J.; Boudjemline, K.; Boulay, M. G.; Broerman, B.; Bueno, J. F.; Butcher, A.; Cai, B.; Caldwell, T.; Chen, M.; Chouinard, R.; Cleveland, B. T.; Cranshaw, D.; Dering, K.; Duncan, F.; Fatemighomi, N.; Ford, R.; Gagnon, R.; Giampa, P.; Giuliani, F.; Gold, M.; Golovko, V. V.; Gorel, P.; Grace, E.; Graham, K.; Grant, D. R.; Hakobyan, R.; Hallin, A. L.; Hamstra, M.; Harvey, P.; Hearns, C.; Hofgartner, J.; Jillings, C. J.; Kuźniak, M.; Lawson, I.; La Zia, F.; Li, O.; Lidgard, J. J.; Liimatainen, P.; Lippincott, W. H.; Mathew, R.; McDonald, A. B.; McElroy, T.; McFarlane, K.; McKinsey, D. N.; Mehdiyev, R.; Monroe, J.; Muir, A.; Nantais, C.; Nicolics, K.; Nikkel, J.; Noble, A. J.; O'Dwyer, E.; Olsen, K.; Ouellet, C.; Pasuthip, P.; Peeters, S. J. M.; Pollmann, T.; Rau, W.; Retière, F.; Ronquest, M.; Seeburn, N.; Skensved, P.; Smith, B.; Sonley, T.; Tang, J.; Vázquez-Jáuregui, E.; Veloce, L.; Walding, J.; Ward, M.

2016-12-01

The DEAP-1 low-background liquid argon detector was used to measure scintillation pulse shapes of electron and nuclear recoil events and to demonstrate the feasibility of pulse-shape discrimination down to an electron-equivalent energy of 20 keVee. In the surface dataset using a triple-coincidence tag we found the fraction of β events that are misidentified as nuclear recoils to be < 1.4 ×10-7 (90% C.L.) for energies between 43-86 keVee and for a nuclear recoil acceptance of at least 90%, with 4% systematic uncertainty on the absolute energy scale. The discrimination measurement on surface was limited by nuclear recoils induced by cosmic-ray generated neutrons. This was improved by moving the detector to the SNOLAB underground laboratory, where the reduced background rate allowed the same measurement to be done with only a double-coincidence tag. The combined data set contains 1.23 × 108 events. One of those, in the underground data set, is in the nuclear-recoil region of interest. Taking into account the expected background of 0.48 events coming from random pileup, the resulting upper limit on the level of electronic recoil contamination is < 2.7 ×10-8 (90% C.L.) between 44-89 keVee and for a nuclear recoil acceptance of at least 90%, with 6% systematic uncertainty on the absolute energy scale. We developed a general mathematical framework to describe pulse-shape-discrimination parameter distributions and used it to build an analytical model of the distributions observed in DEAP-1. Using this model, we project a misidentification fraction of approximately 10-10 for an electron-equivalent energy threshold of 15 keVee for a detector with 8 PE/keVee light yield. This reduction enables a search for spin-independent scattering of WIMPs from 1000 kg of liquid argon with a WIMP-nucleon cross-section sensitivity of 10-46 cm2, assuming negligible contribution from nuclear recoil backgrounds.

High Performance Nuclear Magnetic Resonance Imaging Using Magnetic Resonance Force Microscopy

DTIC Science & Technology

2013-12-12

Micron- Size Ferromagnet . Physical Review Letters, 92(3) 037205 (2004) [22] A. Z. Genack and A. G. Redeld. Theory of nuclear spin diusion in a...perform spatially resolved scanned probe studies of spin dynamics in nanoscale ensembles of few electron spins of varying size . Our research culminated...perform spatially resolved scanned probe studies of spin dynamics in nanoscale ensembles of few electron spins of varying size . Our research culminated

Discretization of the total magnetic field by the nuclear spin bath in fluorine-doped ZnSe.

PubMed

Zhukov, E A; Kirstein, E; Kopteva, N E; Heisterkamp, F; Yugova, I A; Korenev, V L; Yakovlev, D R; Pawlis, A; Bayer, M; Greilich, A

2018-05-16

The coherent spin dynamics of fluorine donor-bound electrons in ZnSe induced by pulsed optical excitation is studied in a perpendicular applied magnetic field. The Larmor precession frequency serves as a measure for the total magnetic field exerted onto the electron spins and, surprisingly, does not increase linearly with the applied field, but shows a step-like behavior with pronounced plateaus, given by multiples of the laser repetition rate. This discretization occurs by a feedback mechanism in which the electron spins polarize the nuclear spins, which in turn generate a local Overhauser field adjusting the total magnetic field accordingly. Varying the optical excitation power, we can control the plateaus, in agreement with our theoretical model. From this model, we trace the observed discretization to the optically induced Stark field, which causes the dynamic nuclear polarization.

Spin noise spectroscopy of donor-bound electrons in ZnO

NASA Astrophysics Data System (ADS)

Horn, H.; Balocchi, A.; Marie, X.; Bakin, A.; Waag, A.; Oestreich, M.; Hübner, J.

2013-01-01

We investigate the intrinsic spin dynamics of electrons bound to Al impurities in bulk ZnO by optical spin noise spectroscopy. Spin noise spectroscopy enables us to investigate the longitudinal and transverse spin relaxation time with respect to nuclear and external magnetic fields in a single spectrum. On one hand, the spin dynamic is dominated by the intrinsic hyperfine interaction with the nuclear spins of the naturally occurring 67Zn isotope. We measure a typical spin dephasing time of 23 ns, in agreement with the expected theoretical values. On the other hand, we measure a third, very high spin dephasing rate which is attributed to a high defect density of the investigated ZnO material. Measurements of the spin dynamics under the influence of transverse as well as longitudinal external magnetic fields unambiguously reveal the intriguing connections of the electron spin with its nuclear and structural environment.

Searching for U-235m produced by Nuclear Excitation by Electronic Transition

NASA Astrophysics Data System (ADS)

Chodash, Perry; Norman, Eric; Burke, Jason; Wilks, Scott; Casperson, Robert

2014-09-01

Nuclear excitation by electronic transition (NEET) is a rare nuclear excitation that is predicted to occur in numerous isotopes, including U-235. When a nuclear transition matches the energy and the multipolarity of an electronic transition, there is a possibility that NEET will occur. If NEET were to occur in U-235, the nucleus would be excited to its 1/2 + isomeric state that subsequently decays by internal conversion with a decay energy of 77 eV and a half-life of 26 minutes. Theory predicts that NEET can occur in partially ionized uranium plasma with a charge state of 23 +. A pulsed Nd:YAG laser operating at 1064 nm with a pulse energy of 780 mJ and a pulse width of 9 ns was used to generate the uranium plasma. The laser was focused on small samples of both depleted uranium and highly enriched uranium. The plasma conditions created by the intense laser pulse were varied by changing the spot size of the laser on the target. The resulting plasma was collected on a plate and the internal conversion electrons were focused onto a microchannel plate detector by a series of electrostatic lenses. First results will be presented. Nuclear excitation by electronic transition (NEET) is a rare nuclear excitation that is predicted to occur in numerous isotopes, including U-235. When a nuclear transition matches the energy and the multipolarity of an electronic transition, there is a possibility that NEET will occur. If NEET were to occur in U-235, the nucleus would be excited to its 1/2 + isomeric state that subsequently decays by internal conversion with a decay energy of 77 eV and a half-life of 26 minutes. Theory predicts that NEET can occur in partially ionized uranium plasma with a charge state of 23 +. A pulsed Nd:YAG laser operating at 1064 nm with a pulse energy of 780 mJ and a pulse width of 9 ns was used to generate the uranium plasma. The laser was focused on small samples of both depleted uranium and highly enriched uranium. The plasma conditions created by the intense laser pulse were varied by changing the spot size of the laser on the target. The resulting plasma was collected on a plate and the internal conversion electrons were focused onto a microchannel plate detector by a series of electrostatic lenses. First results will be presented. This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. The U.S. DHS, UC Berkeley, the NNIS fellowship and the NSSC further supported this work.

Two-dimensional model of resonant electron collisions with diatomic molecules and molecular cations

NASA Astrophysics Data System (ADS)

Vana, Martin; Hvizdos, David; Houfek, Karel; Curik, Roman; Greene, Chris H.; Rescigno, Thomas N.; McCurdy, C. William

2016-05-01

A simple model for resonant collisions of electrons with diatomic molecules with one electronic and one nuclear degree of freedom (2D model) which was solved numerically exactly within the time-independent approach was used to probe the local complex potential approximation and nonlocal approximation to nuclear dynamics of these collisions. This model was reformulated in the time-dependent picture and extended to model also electron collisions with molecular cations, especially with H2+.This model enables an assessment of approximate methods, such as the boomerang model or the frame transformation theory. We will present both time-dependent and time-independent results and show how we can use the model to extract deeper insight into the dynamics of the resonant collisions.

Critical screening in the one- and two-electron Yukawa atoms

NASA Astrophysics Data System (ADS)

Montgomery, H. E.; Sen, K. D.; Katriel, Jacob

2018-02-01

The one- and two-electron Yukawa atoms, also referred to as the Debye-Hückel or screened Coulomb atoms, have been topics of considerable interest both for intrinsic reasons and because of their relevance to terrestrial and astrophysical plasmas. At sufficiently high screening the one-electron Yukawa atom ceases to be bound. Some calculations appeared to suggest that as the screening increases in the ground state of the two-electron Yukawa atom (in which both the one-particle attraction and the interparticle repulsion are screened) the two electrons are detached simultaneously, at the same screening constant at which the one-electron atom becomes unbound. Our results rule this scenario out, offering an alternative that is not less interesting. In particular, it is found that for Z <1 a mild amount of screening actually increases the binding energy of the second electron. At the nuclear charge Zc≈0.911028 ... , at which the bare Coulomb two-electron atom becomes unbound, and even over a range of lower nuclear charges, an appropriate amount of screening gives rise to a bound two-electron system.

Commercial Superconducting Electron Linac for Radioisotope Production

DOE Office of Scientific and Technical Information (OSTI.GOV)

Grimm, Terry Lee; Boulware, Charles H.; Hollister, Jerry L.

2015-08-13

The majority of radioisotopes used in the United States today come from foreign suppliers or are generated parasitically in large government accelerators and nuclear reactors. Both of these restrictions limit the availability of radioisotopes and discourage the development and evaluation of new isotopes and for nuclear medicine, science, and industry. Numerous studies have been recommending development of dedicated accelerators for production of radioisotopes for over 20 years (Institute of Medicine, 1995; Reba, et al, 2000; National Research Council, 2007; NSAC 2009). The 2015 NSAC Long Range Plan for Isotopes again identified electron accelerators as an area for continued research andmore » development. Recommendation 1(c) from the 2015 NSAC Isotope report specifically identifies electron accelerators for continued funding for the purpose of producing medical and industrial radioisotopes. Recognizing the pressing need for new production methods of radioisotopes, the United States Congress passed the American Medical Isotope Production Act of 2012 to develop a domestic production of 99Mo and to eliminate the use of highly enriched uranium (HEU) in the production of 99Mo. One of the advantages of high power electron linear accelerators (linacs) is they can create both proton- and neutron-rich isotopes by generating high energy x-rays that knock out protons or neutrons from stable atoms or by fission of uranium. This allows for production of isotopes not possible in nuclear reactors. Recent advances in superconducting electron linacs have decreased the size and complexity of these systems such that they are economically competitive with nuclear reactors and large, high energy accelerators. Niowave, Inc. has been developing a radioisotope production facility based on a superconducting electron linac with liquid metal converters.« less

Plan of production of MeV laser electron photons at SPring-8

NASA Astrophysics Data System (ADS)

Arimoto, Y.; Ohkuma, H.; Suzuki, S.; Tamura, K.; Kumagai, N.; Okajima, S.; Fujiwara, M.

2001-10-01

MeV photons at SPring-8 are produced by backward Compton scattering (BCS) of far infrared (FIR) laser photons from a 8 GeV electron beam. The MeV photons are a powerful probe to study nuclear physics, astro-nuclear physics, nuclear engineering, condensed matter physics, etc. owing to their attractive properties such as small emittance, high intensity, high polarization, etc. The 10 MeV photons which can be produced by the BCS process between the 8 GeV electron of SPring-8 storage ring and FIR laser photons with a wavelength of ~100 μm have a great advantage. Since energy loss of the electron due to the BCS process is smaller than energy acceptance of the storage ring (±160 MeV), the stored electron beam is not lost. A stable CO_2-pumped FIR laser with the wavelength of ~100 μm is practically using as a probe of plasma diagnostics at a nuclear fusion reactor. Furthermore, since the laser has many oscillations in wide wavelength region, the BCS photons in wide range can be obtained. We plan to produce the MeV laser electron photons by the BCS at SPring-8. For these purpose, we are now developing a high power CO_2-pumped FIR laser. Up to now ~1.5 watts CW laser action at a wavelength of 118.8 μm has been achieved. In this meeting, we will present a current status of the FIR laser system, a plan of construction of the test beam-line for the production of MeV photons at SPring-8, and future plan of this project.

Quantum Control and Entanglement of Spins in Silicon Carbide

NASA Astrophysics Data System (ADS)

Klimov, Paul

Over the past several decades silicon carbide (SiC) has matured into a versatile material platform for high-power electronics and optoelectronic and micromechanical devices. Recent advances have also established SiC as a promising host for quantum technologies based on the spin of intrinsic defects, with the potential of leveraging existing device fabrication protocols alongside solid-state quantum control. Among these defects are the divacancies and related color centers, which have ground-state electron-spin triplets with coherence times as long as one millisecond and built-in optical interfaces operating near the telecommunication wavelengths. This rapidly developing field has prompted research into the SiC material host to understand how defect-bound electron spins interact with their surrounding nuclear spin bath. Although nuclear spins are a major source of decoherence in color-center spin systems, they are also a valuable resource since they can have coherence times that are orders of magnitude longer than electron spins. In this talk I will discuss our recent efforts to interface defect-bound electron spins in SiC with the nuclear spins of naturally occurring 29Si and 13C isotopic defects. I will discuss how the hyperfine interaction can be used to strongly initialize them, to coherently control them, to read them out, and to produce genuine electron-nuclear ensemble entanglement, all at ambient conditions. These demonstrations motivate further research into spins in SiC for prospective quantum technologies. In collaboration with A. Falk, D. Christle, K. Miao, H. Seo, V. Ivady, A. Gali, G. Galli, and D. D. Awschalom. This research was supported by the AFOSR, the NSF DMR-1306300, and the NSF Materials Research Science and Engineering Center.

Four-electron model for singlet and triplet excitation energy transfers with inclusion of coherence memory, inelastic tunneling and nuclear quantum effects

NASA Astrophysics Data System (ADS)

Suzuki, Yosuke; Ebina, Kuniyoshi; Tanaka, Shigenori

2016-08-01

A computational scheme to describe the coherent dynamics of excitation energy transfer (EET) in molecular systems is proposed on the basis of generalized master equations with memory kernels. This formalism takes into account those physical effects in electron-bath coupling system such as the spin symmetry of excitons, the inelastic electron tunneling and the quantum features of nuclear motions, thus providing a theoretical framework to perform an ab initio description of EET through molecular simulations for evaluating the spectral density and the temporal correlation function of electronic coupling. Some test calculations have then been carried out to investigate the dependence of exciton population dynamics on coherence memory, inelastic tunneling correlation time, magnitude of electronic coupling, quantum correction to temporal correlation function, reorganization energy and energy gap.

Hartree-Fock implementation using a Laguerre-based wave function for the ground state and correlation energies of two-electron atoms.

PubMed

King, Andrew W; Baskerville, Adam L; Cox, Hazel

2018-03-13

An implementation of the Hartree-Fock (HF) method using a Laguerre-based wave function is described and used to accurately study the ground state of two-electron atoms in the fixed nucleus approximation, and by comparison with fully correlated (FC) energies, used to determine accurate electron correlation energies. A variational parameter A is included in the wave function and is shown to rapidly increase the convergence of the energy. The one-electron integrals are solved by series solution and an analytical form is found for the two-electron integrals. This methodology is used to produce accurate wave functions, energies and expectation values for the helium isoelectronic sequence, including at low nuclear charge just prior to electron detachment. Additionally, the critical nuclear charge for binding two electrons within the HF approach is calculated and determined to be Z HF C =1.031 177 528.This article is part of the theme issue 'Modern theoretical chemistry'. © 2018 The Author(s).

On the elimination of the electronic structure bottleneck in on the fly nonadiabatic dynamics for small to moderate sized (10-15 atom) molecules using fit diabatic representations based solely on ab initio electronic structure data: The photodissociation of phenol

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhu, Xiaolei, E-mail: virtualzx@gmail.com; Yarkony, David R., E-mail: yarkony@jhu.edu

2016-01-14

In this work, we demonstrate that for moderate sized systems, here a system with 13 atoms, global coupled potential energy surfaces defined for several electronic states over a wide energy range and for distinct regions of nuclear coordinate space characterized by distinct electron configurations, can be constructed with precise energetics and an excellent description of non-adiabatic interactions in all regions. This is accomplished using a recently reported algorithm for constructing quasi-diabatic representations, H{sup d}, of adiabatic electronic states coupled by conical intersections. In this work, the algorithm is used to construct an H{sup d} to describe the photodissociation of phenolmore » from its first and second excited electronic states. The representation treats all 33 internal degrees of freedom in an even handed manner. The ab initio adiabatic electronic structure data used to construct the fit are obtained exclusively from multireference configuration interaction with single and double excitation wave functions comprised of 88 × 10{sup 6} configuration state functions, at geometries determined by quasi-classical trajectories. Since the algorithm uses energy gradients and derivative couplings in addition to electronic energies to construct H{sup d}, data at only 7379 nuclear configurations are required to construct a representation, which describes all nuclear configurations involved in H atom photodissociation to produce the phenoxyl radical in its ground or first excited electronic state, with a mean unsigned energy error of 202.9 cm{sup −1} for electronic energies <60 000 cm{sup −1}.« less

Nuclear Science Symposium, 4th, and Nuclear Power Systems Symposium, 9th, San Francisco, Calif., October 19-21, 1977, Proceedings

NASA Technical Reports Server (NTRS)

1978-01-01

Consideration is given to the following types of high energy physics instrumentation: drift chambers, multiwire proportional chambers, calorimeters, optical detectors, ionization and scintillation detectors, solid state detectors, and electronic and digital subsystems. Attention is also paid to reactor instrumentation, nuclear medicine instrumentation, data acquisition systems for nuclear instrumentation, microprocessor applications in nuclear science, environmental instrumentation, control and instrumentation of nuclear power generating stations, and radiation monitoring. Papers are also presented on instrumentation for the High Energy Astronomy Observatory.

Local dynamic nuclear polarization using quantum point contacts

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wald, K.R.; Kouwenhoven, L.P.; McEuen, P.L.

1994-08-15

We have used quantum point contacts (QPCs) to locally create and probe dynamic nuclear polarization (DNP) in GaAs heterostructures in the quantum Hall regime. DNP is created via scattering between spin-polarized Landau level electrons and the Ga and As nuclear spins, and it leads to hysteresis in the dc transport characteristics. The nuclear origin of this hysteresis is demonstrated by nuclear magnetic resonance (NMR). Our results show that QPCs can be used to create and probe local nuclear spin populations, opening up new possibilities for mesoscopic NMR experiments.

Measurements and calculations of the Coulomb cross section for the production of direct electron pairs by energetic heavy nuclei in nuclear track emulsion

NASA Technical Reports Server (NTRS)

Derrickson, J. H.; Eby, P. B.; Fountain, W. F.; Parnell, T. A.; Dong, B. L.; Gregory, J. C.; Takahashi, Y.; King, D. T.

1988-01-01

Measurements and theoretical predictions of the Coulomb cross section for the production of direct electron pairs by heavy ions in emulsion have been performed. Nuclear track emulsions were exposed to the 1.8 GeV/amu Fe-56 beam at the Lawrence Berkeley Laboratory bevalac and to the 60 and 200 GeV/amu O-16 and the 200 GeV/amu S-32 beam at the European Center for Nuclear Research Super Proton Synchrotron modified to accelerate heavy ions. The calculations combine the Weizsacker-Williams virtual quanta method applicable to the low-energy transfers and the Kelner-Kotov relativistic treatment for the high-energy transfers. Comparison of the measured total electron pair yield, the energy transfer distribution, and the emission angle distribution with theoretical predictions revealed a discrepancy in the frequency of occurrence of the low-energy pairs (less than or = 10 MeV). The microscope scanning criteria used to identify the direct electron pairs is described and efforts to improve the calculation of the cross section for pair production are also discussed.

75 FR 5355 - Notice of Extension of Comment Period for NUREG-1934, Nuclear Power Plant Fire Modeling...

Federal Register 2010, 2011, 2012, 2013, 2014

2010-02-02

..., Nuclear Power Plant Fire Modeling Application Guide (NPP FIRE MAG), Draft Report for Comment AGENCY... 1019195), Nuclear Power Plant Fire Modeling Application Guide (NPP FIRE MAG), Draft Report for Comment... Plant Fire Modeling Application Guide (NPP FIRE MAG)'' is available electronically under ADAMS Accession...

Quantum Monte Carlo methods for nuclear physics

DOE PAGES

Carlson, J.; Gandolfi, S.; Pederiva, F.; ...

2015-09-09

Quantum Monte Carlo methods have proved valuable to study the structure and reactions of light nuclei and nucleonic matter starting from realistic nuclear interactions and currents. These ab-initio calculations reproduce many low-lying states, moments, and transitions in light nuclei, and simultaneously predict many properties of light nuclei and neutron matter over a rather wide range of energy and momenta. The nuclear interactions and currents are reviewed along with a description of the continuum quantum Monte Carlo methods used in nuclear physics. These methods are similar to those used in condensed matter and electronic structure but naturally include spin-isospin, tensor, spin-orbit,more » and three-body interactions. A variety of results are presented, including the low-lying spectra of light nuclei, nuclear form factors, and transition matrix elements. Low-energy scattering techniques, studies of the electroweak response of nuclei relevant in electron and neutrino scattering, and the properties of dense nucleonic matter as found in neutron stars are also described. Furthermore, a coherent picture of nuclear structure and dynamics emerges based upon rather simple but realistic interactions and currents.« less

Quantum Monte Carlo methods for nuclear physics

DOE PAGES

Carlson, Joseph A.; Gandolfi, Stefano; Pederiva, Francesco; ...

2014-10-19

Quantum Monte Carlo methods have proved very valuable to study the structure and reactions of light nuclei and nucleonic matter starting from realistic nuclear interactions and currents. These ab-initio calculations reproduce many low-lying states, moments and transitions in light nuclei, and simultaneously predict many properties of light nuclei and neutron matter over a rather wide range of energy and momenta. We review the nuclear interactions and currents, and describe the continuum Quantum Monte Carlo methods used in nuclear physics. These methods are similar to those used in condensed matter and electronic structure but naturally include spin-isospin, tensor, spin-orbit, and three-bodymore » interactions. We present a variety of results including the low-lying spectra of light nuclei, nuclear form factors, and transition matrix elements. We also describe low-energy scattering techniques, studies of the electroweak response of nuclei relevant in electron and neutrino scattering, and the properties of dense nucleonic matter as found in neutron stars. A coherent picture of nuclear structure and dynamics emerges based upon rather simple but realistic interactions and currents.« less

Theoretical model of dynamic spin polarization of nuclei coupled to paramagnetic point defects in diamond and silicon carbide

NASA Astrophysics Data System (ADS)

Ivády, Viktor; Szász, Krisztián; Falk, Abram L.; Klimov, Paul V.; Christle, David J.; Janzén, Erik; Abrikosov, Igor A.; Awschalom, David D.; Gali, Adam

2015-09-01

Dynamic nuclear spin polarization (DNP) mediated by paramagnetic point defects in semiconductors is a key resource for both initializing nuclear quantum memories and producing nuclear hyperpolarization. DNP is therefore an important process in the field of quantum-information processing, sensitivity-enhanced nuclear magnetic resonance, and nuclear-spin-based spintronics. DNP based on optical pumping of point defects has been demonstrated by using the electron spin of nitrogen-vacancy (NV) center in diamond, and more recently, by using divacancy and related defect spins in hexagonal silicon carbide (SiC). Here, we describe a general model for these optical DNP processes that allows the effects of many microscopic processes to be integrated. Applying this theory, we gain a deeper insight into dynamic nuclear spin polarization and the physics of diamond and SiC defects. Our results are in good agreement with experimental observations and provide a detailed and unified understanding. In particular, our findings show that the defect electron spin coherence times and excited state lifetimes are crucial factors in the entire DNP process.

Electrically tunable dynamic nuclear spin polarization in GaAs quantum dots at zero magnetic field

NASA Astrophysics Data System (ADS)

Manca, M.; Wang, G.; Kuroda, T.; Shree, S.; Balocchi, A.; Renucci, P.; Marie, X.; Durnev, M. V.; Glazov, M. M.; Sakoda, K.; Mano, T.; Amand, T.; Urbaszek, B.

2018-04-01

In III-V semiconductor nano-structures, the electron and nuclear spin dynamics are strongly coupled. Both spin systems can be controlled optically. The nuclear spin dynamics are widely studied, but little is known about the initialization mechanisms. Here, we investigate optical pumping of carrier and nuclear spins in charge tunable GaAs dots grown on 111A substrates. We demonstrate dynamic nuclear polarization (DNP) at zero magnetic field in a single quantum dot for the positively charged exciton X+ state transition. We tune the DNP in both amplitude and sign by variation of an applied bias voltage Vg. Variation of ΔVg on the order of 100 mV changes the Overhauser splitting (nuclear spin polarization) from -30 μeV (-22%) to +10 μeV (+7%) although the X+ photoluminescence polarization does not change sign over this voltage range. This indicates that absorption in the structure and energy relaxation towards the X+ ground state might provide favourable scenarios for efficient electron-nuclear spin flip-flops, generating DNP during the first tens of ps of the X+ lifetime which is on the order of hundreds of ps. Voltage control of DNP is further confirmed in Hanle experiments.

Modeling ionization and recombination from low energy nuclear recoils in liquid argon

DOE PAGES

Foxe, M.; Hagmann, C.; Jovanovic, I.; ...

2015-03-27

Coherent elastic neutrino-nucleus scattering (CENNS) is an as-yet undetected, flavor-independent neutrino interaction predicted by the Standard Model. Detection of CENNS could offer benefits for detection of supernova and solar neutrinos in astrophysics, or for detection of antineutrinos for nuclear reactor monitoring and nuclear nonproliferation. One challenge with detecting CENNS is the low energy deposition associated with a typical CENNS nuclear recoil. In addition, nuclear recoils result in lower ionization yields than those produced by electron recoils of the same energy. While a measurement of the nuclear recoil ionization yield in liquid argon in the keV energy range has been recentlymore » reported, a corresponding model for low-energy ionization yield in liquid argon does not exist. For this reason, a Monte Carlo simulation has been developed to predict the ionization yield at sub-10 keV energies. The model consists of two distinct components: (1) simulation of the atomic collision cascade with production of ionization, and (2) the thermalization and drift of ionization electrons in an applied electric field including local recombination. As an application of our results we report updated estimates of detectable ionization in liquid argon from CENNS at a nuclear reactor.« less

IEEE Nuclear and Space Radiation Effects Conference: Notes on the Early Conferences

NASA Technical Reports Server (NTRS)

Pellish, Jonathan A.; Galloway, Kenneth F.

2013-01-01

This paper gathers the remembrances of several key contributors who participated in the earliest Institute of Electrical and Electronics Engineers (IEEE) Nuclear and Space Radiation Effects Conferences (NSREC).

Multi-state trajectory approach to non-adiabatic dynamics: General formalism and the active state trajectory approximation

NASA Astrophysics Data System (ADS)

Tao, Guohua

2017-07-01

A general theoretical framework is derived for the recently developed multi-state trajectory (MST) approach from the time dependent Schrödinger equation, resulting in equations of motion for coupled nuclear-electronic dynamics equivalent to Hamilton dynamics or Heisenberg equation based on a new multistate Meyer-Miller (MM) model. The derived MST formalism incorporates both diabatic and adiabatic representations as limiting cases and reduces to Ehrenfest or Born-Oppenheimer dynamics in the mean-field or the single-state limits, respectively. In the general multistate formalism, nuclear dynamics is represented in terms of a set of individual state-specific trajectories, while in the active state trajectory (AST) approximation, only one single nuclear trajectory on the active state is propagated with its augmented images running on all other states. The AST approximation combines the advantages of consistent nuclear-coupled electronic dynamics in the MM model and the single nuclear trajectory in the trajectory surface hopping (TSH) treatment and therefore may provide a potential alternative to both Ehrenfest and TSH methods. The resulting algorithm features in a consistent description of coupled electronic-nuclear dynamics and excellent numerical stability. The implementation of the MST approach to several benchmark systems involving multiple nonadiabatic transitions and conical intersection shows reasonably good agreement with exact quantum calculations, and the results in both representations are similar in accuracy. The AST treatment also reproduces the exact results reasonably, sometimes even quantitatively well, with a better performance in the adiabatic representation.

10 CFR 60.4 - Communications and records.

Code of Federal Regulations, 2012 CFR

2012-01-01

... NUCLEAR REGULATORY COMMISSION (CONTINUED) DISPOSAL OF HIGH-LEVEL RADIOACTIVE WASTES IN GEOLOGIC... offices at 11555 Rockville Pike, Rockville, Maryland; or, where practicable, by electronic submission, for example, via Electronic Information Exchange, or CD-ROM. Electronic submissions must be made in a manner...

Nuclear inner membrane fusion facilitated by yeast Jem1p is required for spindle pole body fusion but not for the first mitotic nuclear division during yeast mating.

PubMed

Nishikawa, Shuh-ichi; Hirata, Aiko; Endo, Toshiya

2008-11-01

During mating of budding yeast, Saccharomyces cerevisiae, two haploid nuclei fuse to produce a diploid nucleus. The process of nuclear fusion requires two J proteins, Jem1p in the endoplasmic reticulum (ER) lumen and Sec63p, which forms a complex with Sec71p and Sec72p, in the ER membrane. Zygotes of mutants defective in the functions of Jem1p or Sec63p contain two haploid nuclei that were closely apposed but failed to fuse. Here we analyzed the ultrastructure of nuclei in jem1 Delta and sec71 Delta mutant zygotes using electron microscope with the freeze-substituted fixation method. Three-dimensional reconstitution of nuclear structures from electron microscope serial sections revealed that Jem1p facilitates nuclear inner-membrane fusion and spindle pole body (SPB) fusion while Sec71p facilitates nuclear outer-membrane fusion. Two haploid SPBs that failed to fuse could duplicate, and mitotic nuclear division of the unfused haploid nuclei started in jem1 Delta and sec71 Delta mutant zygotes. This observation suggests that nuclear inner-membrane fusion is required for SPB fusion, but not for SPB duplication in the first mitotic cell division.

Institute of Electrical and Electronics Engineers, Nuclear Science Symposium, 18th, and Nuclear Power Systems Symposium, 3rd, San Francisco, Calif., November 3-5, 1971, Proceedings.

NASA Technical Reports Server (NTRS)

1972-01-01

Potential advantages of fusion power reactors are discussed together with the protection of the public from radioactivity produced in nuclear power reactors, and the significance of tritium releases to the environment. Other subjects considered are biomedical instrumentation, radiation damage problems, low level environmental radionuclide analysis systems, nuclear techniques in environmental research, nuclear instrumentation, and space and plasma instrumentation. Individual items are abstracted in this issue.

Report of the Community Review of EIC Accelerator R&D for the Office of Nuclear Physics

DOE Office of Scientific and Technical Information (OSTI.GOV)

None, None

The Nuclear Science Advisory Committee (NSAC) of the Department of Energy (DOE) Office of Nuclear Physics (NP) recommended in the 2015 Long Range Plan (LRP) for Nuclear Science that the proposed Electron Ion Collider (EIC) be the highest priority for new construction. This report noted that, at that time, two independent designs for such a facility had evolved in the United States, each of which proposed using infrastructure already available in the U.S. nuclear science community.

Nuclear recoil effect on g-factor of heavy ions: prospects for tests of quantum electrodynamics in a new region

NASA Astrophysics Data System (ADS)

Malyshev, A. V.; Shabaev, V. M.; Glazov, D. A.; Tupitsyn, I. I.

2017-12-01

The nuclear recoil effect on the g-factor of H- and Li-like heavy ions is evaluated to all orders in αZ. The calculations include an approximate treatment of the nuclear size and the electron-electron interaction corrections to the recoil effect. As the result, the second largest contribution to the theoretical uncertainty of the g-factor values of 208Pb79+ and 238U89+ is strongly reduced. Special attention is paid to tests of the QED recoil effect on the g-factor in experiments with heavy ions. It is found that, while the QED recoil effect on the g-factor value is masked by the uncertainties of the nuclear size and nuclear polarization contributions, it can be probed on a few-percent level in the specific difference of the g-factors of H- and Li-like heavy ions. This provides a unique opportunity to test QED in a new region-strong-coupling regime beyond the Furry picture.

Nuclear Recoil Effect on the g-Factor of Heavy Ions: Prospects for Tests of Quantum Electrodynamics in a New Region

NASA Astrophysics Data System (ADS)

Malyshev, A. V.; Shabaev, V. M.; Glazov, D. A.; Tupitsyn, I. I.

2017-12-01

The nuclear recoil effect on the g-factor of H- and Li-like heavy ions is evaluated to all orders in αZ. The calculations include an approximate treatment of the nuclear size and the electron-electron interaction corrections to the recoil effect. As the result, the second largest contribution to the theoretical uncertainty of the g-factor values of 208Pb79+ and 238U89+ is strongly reduced. Special attention is paid to tests of the QED recoil effect on the g-factor in experiments with heavy ions. It is found that, while the QED recoil effect on the gfactor value is masked by the uncertainties of the nuclear size and nuclear polarization contributions, it can be probed on a few-percent level in the specific difference of the g-factors of H- and Li-like heavy ions. This provides a unique opportunity to test QED in a new region of the strong-coupling regime beyond the Furry picture.

Systematics of strong nuclear amplification of gluon saturation from exclusive vector meson production in high energy electron-nucleus collisions

NASA Astrophysics Data System (ADS)

Mäntysaari, Heikki; Venugopalan, Raju

2018-06-01

We show that gluon saturation gives rise to a strong modification of the scaling in both the nuclear mass number A and the virtuality Q2 of the vector meson production cross-section in exclusive deep-inelastic scattering off nuclei. We present qualitative analytic expressions for how the scaling exponents are modified as well as quantitative predictions that can be tested at an Electron-Ion Collider.

ELECTRON MICROSCOPIC OBSERVATIONS OF AMOEBA PROTEUS IN GROWTH AND INANITION

PubMed Central

Cohen, Adolph I.

1957-01-01

Electron microscopic observations have been made on growing and dividing specimens of Amoeba proteus and also on starving animals. Structures presumably corresponding to the mitochondria, alpha particles, vacuoles, and Golgi material are described. A new entity, designated as a foamy particle, is noted. Descriptions are given of the cytoplasmic and nuclear membranes. During division the inner, thick nuclear membrane component is seen to vanish and the outer membrane persist. Measurements suggest a gradual reappearance of the inner component with growth. Starving animals show a loss of cytoplasmic granularity and an increase in the electron density of mitochondria, presumably due to lipide accumulation. PMID:13481020

Electron microscopic observations of amoeba proteus in growth and inanition.

PubMed

COHEN, A I

1957-11-25

Electron microscopic observations have been made on growing and dividing specimens of Amoeba proteus and also on starving animals. Structures presumably corresponding to the mitochondria, alpha particles, vacuoles, and Golgi material are described. A new entity, designated as a foamy particle, is noted. Descriptions are given of the cytoplasmic and nuclear membranes. During division the inner, thick nuclear membrane component is seen to vanish and the outer membrane persist. Measurements suggest a gradual reappearance of the inner component with growth. Starving animals show a loss of cytoplasmic granularity and an increase in the electron density of mitochondria, presumably due to lipide accumulation.

Extension and applications of switching model: Range theory, multiple scattering model of Goudsmit-Saunderson, and lateral spread treatment of Marwick-Sigmund

NASA Astrophysics Data System (ADS)

Ikegami, Seiji

2017-09-01

The switching model (PSM) developed in the previous paper is extended to obtain an ;extended switching model (ESM). In the ESM, the mixt electronic-and-nuclear energy-loss region, in addition to the electronic and nuclear energy-loss regions in PSM, is taken into account analytically and appropriately. This model is combined with a small-angle multiple scattering range theory considering both nuclear and electronic stopping effects developed by Marwick-Sigmund and Valdes-Arista to formulate a improved range theory. The ESM is also combined with the multiple scattering theory with non-small angle approximation by Goudsmit-Saunderson. Furthermore, we applied ESM to lateral spread model of Marwick-Sigmund. Numerical calculations of the entire distribution functions including one of the mixt region are roughly and approximately possible. However, exact numerical calculation may be impossible. Consequently, several preliminary numerical calculations of the electronic, mixt, and nuclear regions are performed to examine their underlying behavior with respect to the incident energy, the scattering angle, the outgoing projectile intensity, and the target thickness. We show the numerical results not only of PSM and but also of ESM. Both numerical results are shown in the present paper for the first time. Since the theoretical relations are constructed using reduced variables, the calculations are made only on the case of C colliding on C.

Implanted bismuth donors in 28-Si: Process development and electron spin resonance measurements

NASA Astrophysics Data System (ADS)

Weis, C. D.; Lo, C. C.; Lang, V.; George, R. E.; Tyryshkin, A. M.; Bokor, J.; Lyon, S. A.; Morton, J. J. L.; Schenkel, T.

2012-02-01

Spins of donor atoms in silicon are excellent qubit candidates. Isotope engineered substrates provide a nuclear spin free host environment, resulting in long spin coherence times [1,2]. The capability of swapping quantum information between electron and nuclear spins can enable quantum communication and gate operation via the electron spin and quantum memory via the nuclear spin [2]. Spin properties of donor qubit candidates in silicon have been studied mostly for phosphorous and antimony [1-3]. Bismuth donors in silicon exhibit a zero field splitting of 7.4 GHz and have attracted attention as potential nuclear spin memory and spin qubit candidates [4,5] that could be coupled to superconducting resonators [4,6]. We report on progress in the formation of bismuth doped 28-Si epi layers by ion implantation, electrical dopant activation and their study via pulsed electron spin resonance measurements showing narrow linewidths and good coherence times. [4pt] [1] A. M. Tyryshkin, et al. arXiv: 1105.3772 [2] J. J. L. Morton, et al. Nature (2008) [3] T. Schenkel, et al APL 2006; F. R. Bradbury, et al. PRL (2006) [4] R. E. George, et al. PRL (2010) [5] G. W. Morley, et al. Nat Mat (2010) [6] M. Hatridge, et al. PRB (2011), R. Vijay, et al. APL (2010) This work was supported by NSA (100000080295) and DOE (DE-AC02-05CH11231).

Vulnerability assessment of a space based weapon platform electronic system exposed to a thermonuclear weapon detonation

NASA Astrophysics Data System (ADS)

Perez, C. L.; Johnson, J. O.

Rapidly changing world events, the increased number of nations with inter-continental ballistic missile capability, and the proliferation of nuclear weapon technology will increase the number of nuclear threats facing the world today. Monitoring these nation's activities and providing an early warning and/or intercept system via reconnaissance and surveillance satellites and space based weapon platforms is a viable deterrent against a surprise nuclear attack. However, the deployment of satellite and weapon platform assets in space will subject the sensitive electronic equipment to a variety of natural and man-made radiation environments. These include Van Allen Belt protons and electrons; galactic and solar flare protons; and neutrons, gamma rays, and x-rays from intentionally detonated fission and fusion weapons. In this paper, the MASH vl.0 code system is used to estimate the dose to the critical electronics components of an idealized space based weapon platform from neutron and gamma-ray radiation emitted from a thermonuclear weapon detonation in space. Fluence and dose assessments were performed for the platform fully loaded, and in several stages representing limited engagement scenarios. The results indicate vulnerabilities to the Command, Control, and Communication bay instruments from radiation damage for a nuclear weapon detonation for certain source/platform orientations. The distance at which damage occurs will depend on the weapon yield (n,(gamma)/kiloton) and size (kilotons).

X-ray comb generation from nuclear-resonance-stabilized x-ray free-electron laser oscillator for fundamental physics and precision metrology

DOE PAGES

Adams, B.  W.; Kim, K. -J.

2015-03-31

An x-ray free-electron laser oscillator (XFELO) is a next-generation x-ray source, similar to free-electron laser oscillators at VUV and longer wavelengths but using crystals as high-reflectivity x-ray mirrors. Each output pulse from an XFELO is fully coherent with high spectral purity. The temporal coherence length can further be increased drastically, from picoseconds to microseconds or even longer, by phase-locking successive XFELO output pulses, using the narrow nuclear resonance lines of nuclei such as ⁵⁷Fe as a reference. We show that the phase fluctuation due to the seismic activities is controllable and that due to spontaneous emission is small. The fluctuationmore » of electron-bunch spacing contributes mainly to the envelope fluctuation but not to the phase fluctuation. By counting the number of standing-wave maxima formed by the output of the nuclear-resonance-stabilized (NRS) XFELO over an optically known length, the wavelength of the nuclear resonance can be accurately measured, possibly leading to a new length or frequency standard at x-ray wavelengths. A NRS-XFELO will be an ideal source for experimental x-ray quantum optics as well as other fundamental physics. The technique can be refined for other, narrower resonances such as ¹⁸¹Ta or ⁴⁵Sc.« less

Frequency-agile gyrotron for electron decoupling and pulsed dynamic nuclear polarization

NASA Astrophysics Data System (ADS)

Scott, Faith J.; Saliba, Edward P.; Albert, Brice J.; Alaniva, Nicholas; Sesti, Erika L.; Gao, Chukun; Golota, Natalie C.; Choi, Eric J.; Jagtap, Anil P.; Wittmann, Johannes J.; Eckardt, Michael; Harneit, Wolfgang; Corzilius, Björn; Th. Sigurdsson, Snorri; Barnes, Alexander B.

2018-04-01

We describe a frequency-agile gyrotron which can generate frequency-chirped microwave pulses. An arbitrary waveform generator (AWG) within the NMR spectrometer controls the microwave frequency, enabling synchronized pulsed control of both electron and nuclear spins. We demonstrate that the acceleration of emitted electrons, and thus the microwave frequency, can be quickly changed by varying the anode voltage. This strategy results in much faster frequency response than can be achieved by changing the potential of the electron emitter, and does not require a custom triode electron gun. The gyrotron frequency can be swept with a rate of 20 MHz/μs over a 670 MHz bandwidth in a static magnetic field. We have already implemented time-domain electron decoupling with dynamic nuclear polarization (DNP) magic angle spinning (MAS) with this device. In this contribution, we show frequency-swept DNP enhancement profiles recorded without changing the NMR magnet or probe. The profile of endofullerenes exhibits a DNP profile with a <10 MHz linewidth, indicating that the device also has sufficient frequency stability, and therefore phase stability, to implement pulsed DNP mechanisms such as the frequency-swept solid effect. We describe schematics of the mechanical and vacuum construction of the device which includes a novel flanged sapphire window assembly. Finally, we discuss how commercially available continuous-wave gyrotrons can potentially be converted into similar frequency-agile high-power microwave sources.

Compensation effects in molecular interactions and the quantum chemical le Chatelier principle.

PubMed

Mezey, Paul G

2015-05-28

Components of molecular interactions and various changes in the components of total energy changes during molecular processes typically exhibit some degrees of compensation. This may be as prominent as the over 90% compensation of the electronic energy and nuclear repulsion energy components of the total energy in some conformational changes. Some of these compensations are enhanced by solvent effects. For various arrangements of ions in a solvent, however, not only compensation but also a formal, mutual enhancement between the electronic energy and nuclear repulsion energy components of the total energy may also occur, when the tools of nuclear charge variation are applied to establish quantum chemically rigorous energy inequalities.

On the physical interpretation of the nuclear molecular orbital energy.

PubMed

Charry, Jorge; Pedraza-González, Laura; Reyes, Andrés

2017-06-07

Recently, several groups have extended and implemented molecular orbital (MO) schemes to simultaneously obtain wave functions for electrons and selected nuclei. Many of these schemes employ an extended Hartree-Fock approach as a first step to find approximate electron-nuclear wave functions and energies. Numerous studies conducted with these extended MO methodologies have explored various effects of quantum nuclei on physical and chemical properties. However, to the best of our knowledge no physical interpretation has been assigned to the nuclear molecular orbital energy (NMOE) resulting after solving extended Hartree-Fock equations. This study confirms that the NMOE is directly related to the molecular electrostatic potential at the position of the nucleus.

Pivotal issues on relativistic electrons in ITER

NASA Astrophysics Data System (ADS)

Boozer, Allen H.

2018-03-01

The transfer of the plasma current from thermal to relativistic electrons is a threat to ITER achieving its mission. This danger is significantly greater in the nuclear than in the non-nuclear phase of ITER operations. Two issues are pivotal. The first is the extent and duration of magnetic surface breaking in conjunction with the thermal quenches. The second is the exponential sensitivity of the current transfer to three quantities: (1) the poloidal flux change required to e-fold the number of relativistic electrons, (2) the time τa after the beginning of the thermal quench before the accelerating electric field exceeds the Connor-Hastie field for runaway, and (3) the duration of the period τ_op in which magnetic surfaces remain open. Adequate knowledge does not exist to devise a reliable strategy for the protection of ITER. Uncertainties are sufficiently large that a transfer of neither a negligible nor the full plasma current to relativistic electrons can be ruled out during the non-nuclear phase of ITER. Tritium decay can provide a sufficiently strong seed for a dangerous relativistic-electron current even if τa and τ_op are sufficiently long to avoid relativistic electrons during non-nuclear operations. The breakup of magnetic surfaces that is associated with thermal quenches occurs on a time scale associated with fast magnetic reconnection, which means reconnection at an Alfvénic rather than a resistive rate. Alfvénic reconnection is well beyond the capabilities of existing computational tools for tokamaks, but its effects can be studied using its property of conserving magnetic helicity. Although the dangers to ITER from relativistic electrons have been known for twenty years, the critical issues have not been defined with sufficient precision to formulate an effective research program. Studies are particularly needed on plasma behavior in existing tokamaks during thermal quenches, behavior which could be clarified using methods developed here.

Hund's Rule in Two-Electron Atomic Systems

ERIC Educational Resources Information Center

Harriman, John E.

2008-01-01

A model proposed by Rioux to explain Hund's rule is investigated. Although the largest contribution to the singlet-triplet splitting in the two-electron atomic systems is the nuclear attraction term, this arises from different optimum scale factors in the two states and that difference is driven by the electron-electron exchange term. The…

Electron guns and collectors developed at INP for electron cooling devices

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sharapa, A.N.; Shemyakin, A.V.

1997-09-01

Institute of Nuclear Physics (INP) has a rich experience in designing electron guns and collectors for electron cooling devices. This paper is a review of the experience of several INP research groups in this field. Some results obtained at INP for systems without a guiding magnetic field are also discussed.

Evaluation of Troxler model 3411 nuclear gage.

DOT National Transportation Integrated Search

1978-01-01

The performance of the Troxler Electronics Laboratory Model 3411 nuclear gage was evaluated through laboratory tests on the Department's density and moisture standards and field tests on various soils, base courses, and bituminous concrete overlays t...

10 CFR 37.7 - Communications.

Code of Federal Regulations, 2014 CFR

2014-01-01

... regulations in this part may be sent as follows: (a) By mail addressed to: ATTN: Document Control Desk... Management Programs; or Director, Division of Security Policy, Office of Nuclear Security and Incident... electronic submission, for example, Electronic Information Exchange, or CD-ROM. Electronic submissions must...

QUARTERLY PROGRESS REPORT NO. 83,

DTIC Science & Technology

Topics included are: microwave spectroscopy; radio astronomy; solid-state microwave electronics; optical and infrared spectroscopy; physical electronics and surface physics; physical acoustics; plasma physics; gaseous electronics; plasmas and controlled nuclear fusion ; energy conversion research; statistical communication theory; linguistics; cognitive information processing; communications biophysics; neurophysiology; computation research.

Electronic structures and magnetic/optical properties of metal phthalocyanine complexes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Baba, Shintaro; Suzuki, Atsushi, E-mail: suzuki@mat.usp.ac.jp; Oku, Takeo

2016-02-01

Electronic structures and magnetic / optical properties of metal phthalocyanine complexes were studied by quantum calculations using density functional theory. Effects of central metal and expansion of π orbital on aromatic ring as conjugation system on the electronic structures, magnetic, optical properties and vibration modes of infrared and Raman spectra of metal phthalocyanines were investigated. Electron and charge density distribution and energy levels near frontier orbital and excited states were influenced by the deformed structures varied with central metal and charge. The magnetic parameters of chemical shifts in {sup 13}C-nuclear magnetic resonance ({sup 13}C-NMR), principle g-tensor, A-tensor, V-tensor of electricmore » field gradient and asymmetry parameters derived from the deformed structures with magnetic interaction of nuclear quadruple interaction based on electron and charge density distribution with a bias of charge near ligand under crystal field.« less

Total Born approximation cross sections for single electron loss by atoms and ions colliding with atoms

NASA Technical Reports Server (NTRS)

Rule, D. W.

1977-01-01

The first born approximation (FBA) is applied to the calculation of single electron loss cross sections for various ions and atoms containing from one to seven electrons. Screened hydrogenic wave functions were used for the states of the electron ejected from the projectile, and Hartree-Fock elastic and incoherent scattering factors were used to describe the target. The effect of the target atom on the scaling of projectile ionization cross sections with respect to the projectile nuclear charge was explored in the case of hydrogen-like ions. Scaling of the cross section with respect to the target nuclear charge for electron loss by Fe (+25) in collision with neutral atoms ranging from H to Fe is also examined. These results were compared to those of the binary encounter approximation and to the FBA for the case of ionization by completely stripped target ions.

Correlated electron and nuclear dynamics in strong field photoionization of H(2)(+).

PubMed

Silva, R E F; Catoire, F; Rivière, P; Bachau, H; Martín, F

2013-03-15

We present a theoretical study of H(2)(+) ionization under strong IR femtosecond pulses by using a method designed to extract correlated (2D) photoelectron and proton kinetic energy spectra. The results show two distinct ionization mechanisms-tunnel and multiphoton ionization-in which electrons and nuclei do not share the energy from the field in the same way. Electrons produced in multiphoton ionization share part of their energy with the nuclei, an effect that shows up in the 2D spectra in the form of energy-conservation fringes similar to those observed in weak-field ionization of diatomic molecules. In contrast, tunneling electrons lead to fringes whose position does not depend on the proton kinetic energy. At high intensity, the two processes coexist and the 2D plots show a very rich behavior, suggesting that the correlation between electron and nuclear dynamics in strong field ionization is more complex than one would have anticipated.

Aging of electronics with application to nuclear power plant instrumentation. [PWR; BWR

DOE Office of Scientific and Technical Information (OSTI.GOV)

Johnson, Jr, R T; Thome, F V; Craft, C M

1983-01-01

A survey to identify areas of needed research to understand aging mechanisms for electronics in nuclear power plant instrumentation has been completed. The emphasis was on electronic components such as semiconductors, capacitors, and resistors used in safety-related instrumentation in the reactor containment area. The environmental and operational stress factors which may produce degradation during long-term operation were identified. Some attention was also given to humidity effects as related to seals and encapsulants, and failures in printed circuit boards and bonds and solder joints. Results suggest that neutron as well as gamma irradiations should be considered in simulating the aging environmentmore » for electronic components. Radiation dose-rate effects in semiconductor devices and organic capacitors need to be further investigated, as well as radiation-voltage bias synergistic effects in semiconductor devices and leakage and permeation of moisture through seals in electronics packages.« less

DOE Office of Scientific and Technical Information (OSTI.GOV)

Harvey-Collard, Patrick; Jacobson, N. Tobias; Rudolph, Martin

Individual donors in silicon chips are used as quantum bits with extremely low error rates. However, physical realizations have been limited to one donor because their atomic size causes fabrication challenges. Quantum dot qubits, in contrast, are highly adjustable using electrical gate voltages. This adjustability could be leveraged to deterministically couple donors to quantum dots in arrays of qubits. In this work, we demonstrate the coherent interaction of a 31P donor electron with the electron of a metal-oxide-semiconductor quantum dot. We form a logical qubit encoded in the spin singlet and triplet states of the two-electron system. We show thatmore » the donor nuclear spin drives coherent rotations between the electronic qubit states through the contact hyperfine interaction. This provides every key element for compact two-electron spin qubits requiring only a single dot and no additional magnetic field gradients, as well as a means to interact with the nuclear spin qubit.« less

Secondary electrons induced by fast ions under channeling conditions. II. Screening of fast heavy ions in solids

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kudo, H.; Shima, K.; Seki, S.

1991-06-01

Ion-beam shadowing effects have been observed for secondary electrons induced by various ions in the energy range of 1.8--3.8 MeV/amu, under various channeling conditions in Si and GaAs crystals. From a comparison of the energy spectra of electrons induced by ions of equal velocity, we have found reduced shadowing effects for heavy ions (Si, S, and Cl) as compared with light (H, He, C, and O) ions. It is concluded that the reduction results from the screening of the heavy ion's nuclear charge by bound electrons. By analyzing the reduced shadowing effect, the effective nuclear charges for the heavy ionsmore » within the target crystals have been determined.« less

The intriguing plant nuclear lamina.

PubMed

Ciska, Malgorzata; Moreno Díaz de la Espina, Susana

2014-01-01

The nuclear lamina is a complex protein mesh attached to the inner nuclear membrane (INM), which is also associated with nuclear pore complexes. It provides mechanical support to the nucleus and nuclear envelope, and as well as facilitating the connection of the nucleoskeleton to the cytoskeleton, it is also involved in chromatin organization, gene regulation, and signaling. In metazoans, the nuclear lamina consists of a polymeric layer of lamins and other interacting proteins responsible for its association with the INM and chromatin. In plants, field emission scanning electron microscopy of nuclei, and thin section transmission electron microscopy of isolated nucleoskeletons, reveals the lamina to have a similar structure to that of metazoans. Moreover, although plants lack lamin genes and the genes encoding most lamin-binding proteins, the main functions of the lamina are fulfilled in plants. Hence, it would appear that the plant lamina is not based on lamins and that other proteins substitute for lamins in plant cells. The nuclear matrix constituent proteins are the best characterized structural proteins in the plant lamina. Although these proteins do not display strong sequence similarity to lamins, their predicted secondary structure and sub-nuclear distribution, as well as their influence on nuclear size and shape, and on heterochromatin organization, suggest they could be functional lamin analogs. In this review we shall summarize what is currently known about the organization and composition of the plant nuclear lamina and its interacting complexes, and we will discuss the activity of this structure in the plant cell and its nucleus.

75 FR 76757 - Licensing Support System Advisory Review Panel

Federal Register 2010, 2011, 2012, 2013, 2014

2010-12-09

... provide advice on the fundamental issues of design and development of an electronic information management... electronic information management system was known as the Licensing Support System (LSS). In November, 1998... experience in electronic information management systems may also participate on the Panel. The Nuclear...

78 FR 46621 - Status of the Office of New Reactors' Implementation of Electronic Distribution of Advanced...

Federal Register 2010, 2011, 2012, 2013, 2014

2013-08-01

... of Electronic Distribution of Advanced Reactor Correspondence AGENCY: Nuclear Regulatory Commission. ACTION: Implementation of electronic distribution of advanced reactor correspondence; issuance. SUMMARY... public that, in the future, publicly available correspondence originating from the Division of Advanced...

Precision determination of electron scattering angle by differential nuclear recoil energy method

DOE Office of Scientific and Technical Information (OSTI.GOV)

Liyanage, N.; Saenboonruang, K.

2015-12-01

The accurate determination of the scattered electron angle is crucial to electron scattering experiments, both with open-geometry large-acceptance spectrometers and ones with dipole-type magnetic spectrometers for electron detection. In particular, for small central-angle experiments using dipole-type magnetic spectrometers, in which surveys are used to measure the spectrometer angle with respect to the primary electron beam, the importance of the scattering angle determination is emphasized. However, given the complexities of large experiments and spectrometers, the accuracy of such surveys is limited and insufficient to meet demands of some experiments. In this article, we present a new technique for determination of themore » electron scattering angle based on an accurate measurement of the primary beam energy and the principle of differential nuclear recoil. This technique was used to determine the scattering angle for several experiments carried out at the Experimental Hall A, Jefferson Lab. Results have shown that the new technique greatly improved the accuracy of the angle determination compared to surveys.« less

Precision Determination of Electron Scattering Angle by Differential Nuclear Recoil Energy Method

DOE Office of Scientific and Technical Information (OSTI.GOV)

Liyanage, Nilanga; Saenboonruang, Kiadtisak

2015-09-01

The accurate determination of the scattered electron angle is crucial to electron scattering experiments, both with open-geometry large-acceptance spectrometers and ones with dipole-type magnetic spectrometers for electron detection. In particular, for small central-angle experiments using dipole-type magnetic spectrometers, in which surveys are used to measure the spectrometer angle with respect to the primary electron beam, the importance of the scattering angle determination is emphasized. However, given the complexities of large experiments and spectrometers, the accuracy of such surveys is limited and insufficient to meet demands of some experiments. In this article, we present a new technique for determination of themore » electron scattering angle based on an accurate measurement of the primary beam energy and the principle of differential nuclear recoil. This technique was used to determine the scattering angle for several experiments carried out at the Experimental Hall A, Jefferson Lab. Results have shown that the new technique greatly improved the accuracy of the angle determination compared to surveys.« less

Lorentz-violating contributions to the nuclear Schiff moment and nuclear EDM

NASA Astrophysics Data System (ADS)

Araujo, Jonas B.; Casana, Rodolfo; Ferreira, Manoel M.

2018-03-01

In the context of an atom endowed with nuclear electric dipole moments (EDM), we consider the effects on the Schiff moment of C P T -even Lorentz-violating (LV) terms that modify the Coulomb potential. First, we study the modifications on the Schiff moment when the nucleus interacts with the electronic cloud by means of a Coulomb potential altered only by the P -even LV components. Next, by supposing the existence of an additional intrinsic LV EDM generated by other LV sources, we assess the corrections to the Schiff moment when the interaction nucleus-electrons runs mediated by a Coulomb potential modified by both the P -odd and P -even LV components. We then use known estimates and EDM measurements to discuss upper bounds on the new Schiff moment components and the possibility of a nuclear EDM component ascribed to LV effects.

Negative muon chemistry: the quantum muon effect and the finite nuclear mass effect.

PubMed

Posada, Edwin; Moncada, Félix; Reyes, Andrés

2014-10-09

The any-particle molecular orbital method at the full configuration interaction level has been employed to study atoms in which one electron has been replaced by a negative muon. In this approach electrons and muons are described as quantum waves. A scheme has been proposed to discriminate nuclear mass and quantum muon effects on chemical properties of muonic and regular atoms. This study reveals that the differences in the ionization potentials of isoelectronic muonic atoms and regular atoms are of the order of millielectronvolts. For the valence ionizations of muonic helium and muonic lithium the nuclear mass effects are more important. On the other hand, for 1s ionizations of muonic atoms heavier than beryllium, the quantum muon effects are more important. In addition, this study presents an assessment of the nuclear mass and quantum muon effects on the barrier of Heμ + H2 reaction.

Communication: Nuclear quadrupole moment-induced Cotton-Mouton effect in noble gas atoms

NASA Astrophysics Data System (ADS)

Fu, Li-juan; Rizzo, Antonio; Vaara, Juha

2013-11-01

New, high-sensitivity and high-resolution spectroscopic and imaging methods may be developed by exploiting nuclear magneto-optic effects. A first-principles electronic structure formulation of nuclear electric quadrupole moment-induced Cotton-Mouton effect (NQCME) is presented for closed-shell atoms. In NQCME, aligned quadrupole moments alter the index of refraction of the medium along with and perpendicular to the direction of nuclear alignment. The roles of basis-set convergence, electron correlation, and relativistic effects are investigated for three quadrupolar noble gas isotopes: 21Ne, 83Kr, and 131Xe. The magnitude of the resulting ellipticities is predicted to be 10-4-10-6 rad/(M cm) for fully spin-polarized nuclei. These should be detectable in the Voigt setup. Particularly interesting is the case of 131Xe, in which a high degree of spin polarization can be achieved via spin-exchange optical hyperpolarization.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Agostini, Federica; Abedi, Ali; Suzuki, Yasumitsu

The decomposition of electronic and nuclear motion presented in Abedi et al. [Phys. Rev. Lett. 105, 123002 (2010)] yields a time-dependent potential that drives the nuclear motion and fully accounts for the coupling to the electronic subsystem. Here, we show that propagation of an ensemble of independent classical nuclear trajectories on this exact potential yields dynamics that are essentially indistinguishable from the exact quantum dynamics for a model non-adiabatic charge transfer problem. We point out the importance of step and bump features in the exact potential that are critical in obtaining the correct splitting of the quasiclassical nuclear wave packetmore » in space after it passes through an avoided crossing between two Born-Oppenheimer surfaces and analyze their structure. Finally, an analysis of the exact potentials in the context of trajectory surface hopping is presented, including preliminary investigations of velocity-adjustment and the force-induced decoherence effect.« less

Multinuclear Detection of Nuclear Spin Optical Rotation at Low Field.

PubMed

Zhu, Yue; Gao, Yuheng; Rodocker, Shane; Savukov, Igor; Hilty, Christian

2018-06-06

We describe the multinuclear detection of nuclear spin optical rotation (NSOR), an effect dependent on the hyperfine interaction between nuclear spins and electrons. Signals of 1 H and 19 F are discriminated by frequency in a single spectrum acquired at sub-millitesla field. The simultaneously acquired optical signal along with the nuclear magnetic resonance signal allows the calculation of the relative magnitude of the NSOR constants corresponding to different nuclei within the sample molecules. This is illustrated by a larger NSOR signal measured at the 19 F frequency despite a smaller corresponding spin concentration. Second, it is shown that heteronuclear J-coupling is observable in the NSOR signal, which can be used to retrieve chemical information. Multinuclear frequency and J resolution can localize optical signals in the molecule. Properties of electronic states at multiple sites in a molecule may therefore ultimately be determined by frequency-resolved NSOR spectroscopy at low field.

Nuclear electric power sources

NASA Technical Reports Server (NTRS)

Singh, J. J.

1978-01-01

Measurements on radioactive commercial p-n junction silicon cells show that these units are capable of delivering several hundred microwatts per curie of Am-241 alpha source, indicating their usefulness in such electronic devices as hearing aids, heart pacemakers, electronic watches, delay timers and nuclear dosimeter chargers. It is concluded that the Am-241 sources are superior to the beta sources used previously, because of higher alpha specific ionization and simultaneous production of low energy photons which are easily converted into photoelectrons for additional power.

Nuclear Science Symposium, 19th, and Nuclear Power Systems Symposium, 4th, Miami, Fla., December 6-8, 1972, Proceedings.

NASA Technical Reports Server (NTRS)

1973-01-01

Major topics covered include radiation monitoring instrumentation, nuclear circuits and systems, biomedical applications of nuclear radiation in diagnosis and therapy, plasma research for fusion power, reactor control and instrumentation, nuclear power standards, and applications of digital computers in nuclear power plants. Systems and devices for space applications are described, including the Apollo alpha spectrometer, a position sensitive detection system for UV and X-ray photons, a 4500-volt electron multiplier bias supply for satellite use, spark chamber systems, proportional counters, and other devices. Individual items are announced in this issue.

Minimizing human error in radiopharmaceutical preparation and administration via a bar code-enhanced nuclear pharmacy management system.

PubMed

Hakala, John L; Hung, Joseph C; Mosman, Elton A

2012-09-01

The objective of this project was to ensure correct radiopharmaceutical administration through the use of a bar code system that links patient and drug profiles with on-site information management systems. This new combined system would minimize the amount of manual human manipulation, which has proven to be a primary source of error. The most common reason for dosing errors is improper patient identification when a dose is obtained from the nuclear pharmacy or when a dose is administered. A standardized electronic transfer of information from radiopharmaceutical preparation to injection will further reduce the risk of misadministration. Value stream maps showing the flow of the patient dose information, as well as potential points of human error, were developed. Next, a future-state map was created that included proposed corrections for the most common critical sites of error. Transitioning the current process to the future state will require solutions that address these sites. To optimize the future-state process, a bar code system that links the on-site radiology management system with the nuclear pharmacy management system was proposed. A bar-coded wristband connects the patient directly to the electronic information systems. The bar code-enhanced process linking the patient dose with the electronic information reduces the number of crucial points for human error and provides a framework to ensure that the prepared dose reaches the correct patient. Although the proposed flowchart is designed for a site with an in-house central nuclear pharmacy, much of the framework could be applied by nuclear medicine facilities using unit doses. An electronic connection between information management systems to allow the tracking of a radiopharmaceutical from preparation to administration can be a useful tool in preventing the mistakes that are an unfortunate reality for any facility.

Constraining Nuclear Weak Interactions in Astrophysics and New Many-Core Algorithms for Neuroevolution

NASA Astrophysics Data System (ADS)

Sullivan, Christopher James

Weak interactions involving atomic nuclei are critical components in a broad range of as- trophysical phenomenon. As allowed Gamow-Teller transitions are the primary path through which weak interactions in nuclei operate in astrophysical contexts, the constraint of these nuclear transitions is an important goal of nuclear astrophysics. In this work, the charged current nuclear weak interaction known as electron capture is studied in the context of stellar core-collapse supernovae (CCSNe). Specifically, the sensitivity of the core-collapse and early post-bounce phases of CCSNe to nuclear electron capture rates are examined. Electron capture rates are adjusted by factors consistent with uncer- tainties indicated by comparing theoretical rates to those deduced from charge-exchange and beta-decay measurements. With the aide of such sensitivity studies, the diverse role of electron capture on thousands of nuclear species is constrained to a few tens of nuclei near N 50 and A 80 which dictate the primary response of CCSNe to nuclear electron capture. As electron capture is shown to be a leading order uncertainty during the core-collapse phase of CCSNe, future experimental and theoretical efforts should seek to constrain the rates of nuclei in this region. Furthermore, neutral current neutrino-nuclear interactions in the tens-of-MeV energy range are important in a variety of astrophysical environments including core-collapse super- novae as well as in the synthesis of some of the solar systems rarest elements. Estimates for inelastic neutrino scattering on nuclei are also important for neutrino detector construction aimed at the detection of astrophysical neutrinos. Due to the small cross sections involved, direct measurements are rare and have only been performed on a few nuclei. For this rea- son, indirect measurements provide a unique opportunity to constrain the nuclear transition strength needed to infer inelastic neutrino-nucleus cross sections. Herein the (6Li, 6Li‧) inelastic scattering reaction at 100 MeV/u is shown to indirectly select the relevant transitions for inelastic neutrino-nucleus scattering. Specifically, the probes unique selectivity of isovector- spin transfer excitations (Delta S = 1, DeltaT = 1, DeltaTz = 0) is demonstrated, thereby allowing the extraction of Gamow-Teller transition strength in the inelastic channel. Finally, the development and performance of a newly established technique for the sub- field of artificial intelligence known as neuroevolution is described. While separate from the physics that is discussed, these algorithmic advancements seek to improve the adoption of machine learning in the scientific domain by enabling neuroevolution to take advantage of modern heterogeneous compute architectures. Because the evolution of neural network pop- ulations offloads the choice of specific details about the neural networks to an evolutionary search algorithm, neuroevolution can increase the accessibility of machine learning. However, the evolution of neural networks through parameter and structural space presents a novel di- vergence problem when mapping the evaluation of these networks to many-core architectures. The principal focus of the algorithm optimizations described herein are on improving the feed-forward evaluation time when tens-to-hundreds of thousands of heterogeneous neural networks are evaluated concurrently.

Stopping power beyond the adiabatic approximation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Caro, M.; Correa, A. A.; Artacho, E.

2017-06-01

Energetic ions traveling in solids deposit energy in a variety of ways, being nuclear and electronic stopping the two avenues in which dissipation is usually treated. This separation between electrons and ions relies on the adiabatic approximation in which ions interact via forces derived from the instantaneous electronic ground state. In a more detailed view, in which non-adiabatic effects are explicitly considered, electronic excitations alter the atomic bonding, which translates into changes in the interatomic forces. In this work, we use time dependent density functional theory and forces derived from the equations of Ehrenfest dynamics that depend instantaneously on themore » time-dependent electronic density. With them we analyze how the inter-ionic forces are affected by electronic excitations in a model of a Ni projectile interacting with a Ni target, a metallic system with strong electronic stopping and shallow core level states. We find that the electronic excitations induce substantial modifications to the inter-ionic forces, which translate into nuclear stopping power well above the adiabatic prediction. Particularly, we observe that most of the alteration of the adiabatic potential in early times comes from the ionization of the core levels of the target ions, not readily screened by the valence electrons.« less

Nuclear-Recoil Energy Scale in CDMS II Silicon Dark-Matter Detectors

DOE Office of Scientific and Technical Information (OSTI.GOV)

Agnese, R.; et al.

The Cryogenic Dark Matter Search (CDMS II) experiment aims to detect dark matter particles that elastically scatter from nuclei in semiconductor detectors. The resulting nuclear-recoil energy depositions are detected by ionization and phonon sensors. Neutrons produce a similar spectrum of low-energy nuclear recoils in such detectors, while most other backgrounds produce electron recoils. The absolute energy scale for nuclear recoils is necessary to interpret results correctly. The energy scale can be determined in CDMS II silicon detectors using neutrons incident from a broad-spectrummore » $$^{252}$$Cf source, taking advantage of a prominent resonance in the neutron elastic scattering cross section of silicon at a recoil (neutron) energy near 20 (182) keV. Results indicate that the phonon collection efficiency for nuclear recoils is $$4.8^{+0.7}_{-0.9}$$% lower than for electron recoils of the same energy. Comparisons of the ionization signals for nuclear recoils to those measured previously by other groups at higher electric fields indicate that the ionization collection efficiency for CDMS II silicon detectors operated at $$\\sim$$4 V/cm is consistent with 100% for nuclear recoils below 20 keV and gradually decreases for larger energies to $$\\sim$$75% at 100 keV. The impact of these measurements on previously published CDMS II silicon results is small.« less

Measurement of the spin temperature of optically cooled nuclei and GaAs hyperfine constants in GaAs/AlGaAs quantum dots

NASA Astrophysics Data System (ADS)

Chekhovich, E. A.; Ulhaq, A.; Zallo, E.; Ding, F.; Schmidt, O. G.; Skolnick, M. S.

2017-10-01

Deep cooling of electron and nuclear spins is equivalent to achieving polarization degrees close to 100% and is a key requirement in solid-state quantum information technologies. While polarization of individual nuclear spins in diamond and SiC (ref. ) reaches 99% and beyond, it has been limited to 50-65% for the nuclei in quantum dots. Theoretical models have attributed this limit to formation of coherent `dark' nuclear spin states but experimental verification is lacking, especially due to the poor accuracy of polarization degree measurements. Here we measure the nuclear polarization in GaAs/AlGaAs quantum dots with high accuracy using a new approach enabled by manipulation of the nuclear spin states with radiofrequency pulses. Polarizations up to 80% are observed--the highest reported so far for optical cooling in quantum dots. This value is still not limited by nuclear coherence effects. Instead we find that optically cooled nuclei are well described within a classical spin temperature framework. Our findings unlock a route for further progress towards quantum dot electron spin qubits where deep cooling of the mesoscopic nuclear spin ensemble is used to achieve long qubit coherence. Moreover, GaAs hyperfine material constants are measured here experimentally for the first time.

Nuclear demagnetisation cooling of a nanoelectronic device

NASA Astrophysics Data System (ADS)

Jones, Alex; Bradley, Ian; Guénault, Tony; Gunnarsson, David; Haley, Richard; Holt, Stephen; Pashkin, Yuri; Penttilä, Jari; Prance, Jonathan; Prunnila, Mika; Roschier, Leif

We present a new technique for on-chip cooling of electrons in a nanostructure: nuclear demagnetisation of on-chip, thin-film copper refrigerant. We are motivated by the potential improvement in the operation of nanoelectronic devices below 10 mK . At these temperatures, weak electron-phonon coupling hinders traditional cooling, yet here gives the advantage of thermal isolation between the environment and the on-chip electrons, enabling cooling significantly below the base temperature of the host lattice. To demonstrate this we electroplate copper onto the metallic islands of a Coulomb blockade thermometer (CBT), and hence provide a direct thermal link between the cooled copper nuclei and the device electrons. The CBT provides primary thermometry of its internal electron temperature, and we use this to monitor the cooling. Using an optimised demagnetisation profile we observe the electrons being cooled from 9 mK to 4 . 5 mK , and remaining below 5 mK for an experimentally useful time of 1200 seconds. We also suggest how this technique can be used to achieve sub- 1 mK electron temperatures without the use of elaborate bulk demagnetisation stages.

Monitoring the Durability Performance of Concrete in Nuclear Waste Containment. Technical Progress Report No. 3

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ulm, Franz-Josef

2000-03-31

OAK-B135 Monitoring the Durability Performance of Concrete in Nuclear Waste Containment. Technical Progress Report No. 3(NOTE: Part II A item 1 indicates ''PAPER'', but a report is attached electronically)

Correlated electron-nuclear dynamics with conditional wave functions.

PubMed

Albareda, Guillermo; Appel, Heiko; Franco, Ignacio; Abedi, Ali; Rubio, Angel

2014-08-22

The molecular Schrödinger equation is rewritten in terms of nonunitary equations of motion for the nuclei (or electrons) that depend parametrically on the configuration of an ensemble of generally defined electronic (or nuclear) trajectories. This scheme is exact and does not rely on the tracing out of degrees of freedom. Hence, the use of trajectory-based statistical techniques can be exploited to circumvent the calculation of the computationally demanding Born-Oppenheimer potential-energy surfaces and nonadiabatic coupling elements. The concept of the potential-energy surface is restored by establishing a formal connection with the exact factorization of the full wave function. This connection is used to gain insight from a simplified form of the exact propagation scheme.

GET: A generic electronics system for TPCs and nuclear physics instrumentation

NASA Astrophysics Data System (ADS)

Pollacco, E. C.; Grinyer, G. F.; Abu-Nimeh, F.; Ahn, T.; Anvar, S.; Arokiaraj, A.; Ayyad, Y.; Baba, H.; Babo, M.; Baron, P.; Bazin, D.; Beceiro-Novo, S.; Belkhiria, C.; Blaizot, M.; Blank, B.; Bradt, J.; Cardella, G.; Carpenter, L.; Ceruti, S.; De Filippo, E.; Delagnes, E.; De Luca, S.; De Witte, H.; Druillole, F.; Duclos, B.; Favela, F.; Fritsch, A.; Giovinazzo, J.; Gueye, C.; Isobe, T.; Hellmuth, P.; Huss, C.; Lachacinski, B.; Laffoley, A. T.; Lebertre, G.; Legeard, L.; Lynch, W. G.; Marchi, T.; Martina, L.; Maugeais, C.; Mittig, W.; Nalpas, L.; Pagano, E. V.; Pancin, J.; Poleshchuk, O.; Pedroza, J. L.; Pibernat, J.; Primault, S.; Raabe, R.; Raine, B.; Rebii, A.; Renaud, M.; Roger, T.; Roussel-Chomaz, P.; Russotto, P.; Saccà, G.; Saillant, F.; Sizun, P.; Suzuki, D.; Swartz, J. A.; Tizon, A.; Usher, N.; Wittwer, G.; Yang, J. C.

2018-04-01

General Electronics for TPCs (GET) is a generic, reconfigurable and comprehensive electronics and data-acquisition system for nuclear physics instrumentation of up to 33792 channels. The system consists of a custom-designed ASIC for signal processing, front-end cards that each house 4 ASIC chips and digitize the data in parallel through 12-bit ADCs, concentration boards to read and process the digital data from up to 16 ASICs, a 3-level trigger and master clock module to trigger the system and synchronize the data, as well as all of the associated firmware, communication and data-acquisition software. An overview of the system including its specifications and measured performances are presented.

Toward Quantum Non-demolition of nitrogen-vacancy centers in diamond

NASA Astrophysics Data System (ADS)

Hodges, Jonathan; Jiang, Liang; Maze, Jeronimo; Lukin, Mikhail

2009-05-01

The nitrogen-vacancy color center (NVC) in diamond, which possesses a long-lived electronic spin (S=1) ground state with optical addressability, is a promising platform for quantum networks, single-photon sources, and nanoscale magnetometers. Here, we make use of a nuclear spin based quantum memory to demonstrate quantum non-demolition measurement of a solid-state spin qubit. By entangling the electron spin with a polarized carbon-13 spin (I=1/2) in the lattice, we have repeated optical measurement of the electron spin for the polarization lifetime of the nuclear spin. We show relative improvements in signal-to-noise of greater than 300%. These techniques can be used to improve the sensitivity of NVC magnetometers.

Direct conversion of nuclear radiation energy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Miley, George H.

1970-01-01

This book presents a comprehensive study of methods for converting nuclear radiationi directly without resorting to a heat cycle. The concepts discussed primarily involve direct collection of charged particles released by radioisotopes and by nuclear and thermonuclear reactors. Areas considered include basic energy conversion, charged-particle transport theory, secondary-electron emission, and leakage currents and associated problems. Applications to both nuclear instrumentaion and power sources are discussed. Problems are also included as an aid to the reader or for classroom use.

Theory of dissociative tunneling ionization

NASA Astrophysics Data System (ADS)

Svensmark, Jens; Tolstikhin, Oleg I.; Madsen, Lars Bojer

2016-05-01

We present a theoretical study of the dissociative tunneling ionization process. Analytic expressions for the nuclear kinetic energy distribution of the ionization rates are derived. A particularly simple expression for the spectrum is found by using the Born-Oppenheimer (BO) approximation in conjunction with the reflection principle. These spectra are compared to exact non-BO ab initio spectra obtained through model calculations with a quantum mechanical treatment of both the electronic and nuclear degrees of freedom. In the regime where the BO approximation is applicable, imaging of the BO nuclear wave function is demonstrated to be possible through reverse use of the reflection principle, when accounting appropriately for the electronic ionization rate. A qualitative difference between the exact and BO wave functions in the asymptotic region of large electronic distances is shown. Additionally, the behavior of the wave function across the turning line is seen to be reminiscent of light refraction. For weak fields, where the BO approximation does not apply, the weak-field asymptotic theory describes the spectrum accurately.

Electron phonon interactions and intrinsic nonadiabatic state of superconductors

NASA Astrophysics Data System (ADS)

Baňacký, Pavol

2007-09-01

Study of band structure of YBa 2Cu 3O 7 has shown that electron coupling to A g, B 2g and B 3g modes results in fluctuation of saddle point of one of the CuO plane d-pσ band in Y point of 1st BZ across Fermi level. It represents breakdown of adiabatic Born-Oppenheimer approximation and transition of the system into intrinsic nonadiabatic state, ω > EF. Results show that system is stabilized in this state at distorted nuclear geometry. Stabilization effect is mainly due to strong dependence of the electronic motion on instantaneous nuclear momenta. On the lattice scale, the intrinsic nonadiabatic state is geometrically degenerate at broken translation symmetry - system has fluxional nuclear configuration of O2, O3 atoms in CuO planes. It enables formation of mobile bipolarons that can move in the lattice without dissipation. Described effects are absent in non-superconducting YBa 2Cu 3O 6.

Nuclear cargo detector

DOEpatents

Christo, Steven Basil

2006-12-19

Apparatus for the inspection of cargo containers for nuclear materials comprising one or more arrays of modules comprising grounded, closed conductive tubes filled with an ionizing gas mixture such as, but not limited to, Argon:CO.sub.2. A wire is suspended along each tube axis and electrically connected at both ends of the tube. A positive, dc high voltage is supplied to one end of the wire and an amplifier is attached to the other end through a capacitance to decouple the amplifier from the high voltage. X-rays, gamma rays or neutrons produced by nuclear material and passing through the tube ionize the gas. The electrons from the gas ionization process are accelerated toward the wire surface due to the wire's electrical potential. The acceleration of the electrons near the wire's surface is sufficient to ionize more gas and produce an amplification of electrons/ions that create a surge of current large enough to be detectable by the amplifier. Means are also provided for a warning device coupled to the amplifier.

Three-dimensional visualization of gammaherpesvirus life cycle in host cells by electron tomography.

PubMed

Peng, Li; Ryazantsev, Sergey; Sun, Ren; Zhou, Z Hong

2010-01-13

Gammaherpesviruses are etiologically associated with human tumors. A three-dimensional (3D) examination of their life cycle in the host is lacking, significantly limiting our understanding of the structural and molecular basis of virus-host interactions. Here, we report the first 3D visualization of key stages of the murine gammaherpesvirus 68 life cycle in NIH 3T3 cells, including viral attachment, entry, assembly, and egress, by dual-axis electron tomography. In particular, we revealed the transient processes of incoming capsids injecting viral DNA through nuclear pore complexes and nascent DNA being packaged into progeny capsids in vivo as a spool coaxial with the putative portal vertex. We discovered that intranuclear invagination of both nuclear membranes is involved in nuclear egress of herpesvirus capsids. Taken together, our results provide the structural basis for a detailed mechanistic description of gammaherpesvirus life cycle and also demonstrate the advantage of electron tomography in dissecting complex cellular processes of viral infection.

A World 2010: A New Order of Nations

DTIC Science & Technology

1992-01-01

chemical and biological ) and nuclear weapons continues. Despite the reduction of world tensions, almost every industrial nation will be armed with a...34 Engineering: electronics, civil, mechanical, metallurgical * Life: biological , medical, behavioral, social The advanced industrial societies of Hong...a very modest nuclear capability. There is a good chance that most nations, if they have nuclear weapons, will have either chemical or biological

Instrument and spacecraft faults associated with nuclear radiation in space

NASA Technical Reports Server (NTRS)

Trainos, J. H.

1994-01-01

A review is given which surveys the variety of faults and failures which have occurred in space due both to the effects of single, energetic nuclear particles, as well as effects due to the accumulated ionizing dose or the fluence of nuclear particles. The review covers a variety of problems with sensors, electronics, instruments and spacecraft from several countries.

Physics Division annual review, 1 April 1980-31 March 1981

DOE Office of Scientific and Technical Information (OSTI.GOV)

Not Available

1982-06-01

Progress in nuclear physics research is reported in the following areas: medium-energy physics (pion reaction mechanisms, high-resolution studies and nuclear structure, and two-nucleon physics with pions and electrons); heavy-ion research at the tandem and superconducting linear accelerator (resonant structure in heavy-ion reactions, fusion cross sections, high angular momentum states in nuclei, and reaction mechanisms and distributions of reaction strengths); charged-particle research; neutron and photonuclear physics; theoretical physics (heavy-ion direct-reaction theory, nuclear shell theory and nuclear structure, nuclear matter and nuclear forces, intermediate-energy physics, microscopic calculations of high-energy collisions of heavy ions, and light ion direct reactions); the superconducting linac; acceleratormore » operations; and GeV electron linac. Progress in atomic and molecular physics research is reported in the following areas: dissociation and other interactions of energetic molecular ions in solid and gaseous targets, beam-foil research and collision dynamics of heavy ions, photoionization- photoelectron research, high-resolution laser rf spectroscopy with atomic and molecular beams, moessbauer effect research, and theoretical atomic physics. Studies on interactions of energetic particles with solids are also described. Publications are listed. (WHK)« less

Nuclear Physics with 10 PW laser beams at Extreme Light Infrastructure - Nuclear Physics (ELI-NP)

NASA Astrophysics Data System (ADS)

Zamfir, N. V.

2014-05-01

The field of the uncharted territory of high-intensity laser interaction with matter is confronted with new exotic phenomena and, consequently, opens new research perspectives. The intense laser beams interacting with a gas or solid target generate beams of electrons, protons and ions. These beams can induce nuclear reactions. Electrons also generate ions high-energy photons via bremsstrahlung processes which can also induce nuclear reactions. In this context a new research domain began to form in the last decade or so, namely nuclear physics with high power lasers. The observation of high brilliance proton beams of tens of MeV energy from solid targets has stimulated an intense research activity. The laser-driven particle beams have to compete with conventional nuclear accelerator-generated beams. The ultimate goal is aiming at applications of the laser produced beams in research, technology and medicine. The mechanism responsible for ion acceleration are currently subject of intensive research in many laboratories in the world. The existing results, experimental and theoretical, and their perspectives are reviewed in this article in the context of IZEST and the scientific program of ELI-NP.

Physical characterization of uranium oxide pellets and powder applied in the Nuclear Forensics International Technical Working Group Collaborative Materials Exercise 4

DOE Office of Scientific and Technical Information (OSTI.GOV)

Griffiths, Grant; Keegan, E.; Young, E.

Physical characterization is one of the most broad and important categories of techniques to apply in a nuclear forensic examination. Physical characterization techniques vary from simple weighing and dimensional measurements to complex sample preparation and scanning electron microscopy-electron backscatter diffraction analysis. This paper reports on the physical characterization conducted by several international laboratories participating in the fourth Collaborative Materials Exercise, organized by the Nuclear Forensics International Technical Working Group. Methods include a range of physical measurements, microscopy-based observations, and profilometry. In conclusion, the value of these results for addressing key investigative questions concerning two uranium dioxide pellets and a uraniummore » dioxide powder is discussed.« less

Physical characterization of uranium oxide pellets and powder applied in the Nuclear Forensics International Technical Working Group Collaborative Materials Exercise 4

DOE PAGES

Griffiths, Grant; Keegan, E.; Young, E.; ...

2018-01-06

Physical characterization is one of the most broad and important categories of techniques to apply in a nuclear forensic examination. Physical characterization techniques vary from simple weighing and dimensional measurements to complex sample preparation and scanning electron microscopy-electron backscatter diffraction analysis. This paper reports on the physical characterization conducted by several international laboratories participating in the fourth Collaborative Materials Exercise, organized by the Nuclear Forensics International Technical Working Group. Methods include a range of physical measurements, microscopy-based observations, and profilometry. In conclusion, the value of these results for addressing key investigative questions concerning two uranium dioxide pellets and a uraniummore » dioxide powder is discussed.« less

Anti-correlated spectral motion in bisphthalocyanines: evidence for vibrational modulation of electronic mixing.

PubMed

Prall, Bradley S; Parkinson, Dilworth Y; Ishikawa, Naoto; Fleming, Graham R

2005-12-08

We exploit a coherently excited nuclear wave packet to study nuclear motion modulation of electronic structure in a metal bridged phthalocyanine dimer, lutetium bisphthalocyanine, which displays two visible absorption bands. We find that the nuclear coordinate influences the energies of the underlying exciton and charge resonance states as well as their interaction; the interplay of the various couplings creates unusual anti-correlated spectral motion in the two bands. Excited state relaxation dynamics are the same regardless of which transition is pumped, with decay time constants of 1.5 and 11 ps. The dynamics are analyzed using a three-state kinetic model after relaxation from one or two additional states faster than the experimental time resolution of 50-100 fs.

Charge renormalization at the large-D limit for N-electron atoms and weakly bound systems

NASA Astrophysics Data System (ADS)

Kais, S.; Bleil, R.

1995-05-01

We develop a systematic way to determine an effective nuclear charge ZRD such that the Hartree-Fock results will be significantly closer to the exact energies by utilizing the analytically known large-D limit energies. This method yields an expansion for the effective nuclear charge in powers of (1/D), which we have evaluated to the first order. This first order approximation to the desired effective nuclear charge has been applied to two-electron atoms with Z=2-20, and weakly bound systems such as H-. The errors for the two-electron atoms when compared with exact results were reduced from ˜0.2% for Z=2 to ˜0.002% for large Z. Although usual Hartree-Fock calculations for H- show this to be unstable, our results reduce the percent error of the Hartree-Fock energy from 7.6% to 1.86% and predicts the anion to be stable. For N-electron atoms (N=3-18, Z=3-28), using only the zeroth order approximation for the effective charge significantly reduces the error of Hartree-Fock calculations and recovers more than 80% of the correlation energy.

Adiabatic quantum computing with spin qubits hosted by molecules.

PubMed

Yamamoto, Satoru; Nakazawa, Shigeaki; Sugisaki, Kenji; Sato, Kazunobu; Toyota, Kazuo; Shiomi, Daisuke; Takui, Takeji

2015-01-28

A molecular spin quantum computer (MSQC) requires electron spin qubits, which pulse-based electron spin/magnetic resonance (ESR/MR) techniques can afford to manipulate for implementing quantum gate operations in open shell molecular entities. Importantly, nuclear spins, which are topologically connected, particularly in organic molecular spin systems, are client qubits, while electron spins play a role of bus qubits. Here, we introduce the implementation for an adiabatic quantum algorithm, suggesting the possible utilization of molecular spins with optimized spin structures for MSQCs. We exemplify the utilization of an adiabatic factorization problem of 21, compared with the corresponding nuclear magnetic resonance (NMR) case. Two molecular spins are selected: one is a molecular spin composed of three exchange-coupled electrons as electron-only qubits and the other an electron-bus qubit with two client nuclear spin qubits. Their electronic spin structures are well characterized in terms of the quantum mechanical behaviour in the spin Hamiltonian. The implementation of adiabatic quantum computing/computation (AQC) has, for the first time, been achieved by establishing ESR/MR pulse sequences for effective spin Hamiltonians in a fully controlled manner of spin manipulation. The conquered pulse sequences have been compared with the NMR experiments and shown much faster CPU times corresponding to the interaction strength between the spins. Significant differences are shown in rotational operations and pulse intervals for ESR/MR operations. As a result, we suggest the advantages and possible utilization of the time-evolution based AQC approach for molecular spin quantum computers and molecular spin quantum simulators underlain by sophisticated ESR/MR pulsed spin technology.

Final Technical Report - Nuclear Studies with Intermediate Energy Probes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Norum, Blaine

During the almost 20 year period of this grant research was carried out on atomic nuclei and their constituents using both photons and electrons. Research was carried out at the electron accelerator facility of the Netherlands Institute for Nuclear and High Energy Physics (NIKHEFK, Amsterdam) until the electron accelerator facility was closed in 1998. Subsequently, research was carried out at the Laser-Electron Gamma Source (LEGS) of the National Synchrotron Light Source (NSLS) located at the Brookhaven National Laboratory (BNL) until the LEGS was closed at the end of 2006. During the next several years research was carried out at bothmore » the Thomas Jefferson National Accelerator Facility (JLAB) and the High Intensity Gamma Source (HIGS) of the Tri-Universities Nuclear Laboratory (TUNL) located on the campus of Duke University. Since approximately 2010 the principal focus was on research at TUNL, although analysis of data from previous research at other facilities continued. The principal early focus of the research was on the role of pions in nuclei. This was studied by studying the production of pions using both photons (at LEGS) and electrons (at NIKHEF-K and JLAB). Measurements of charged pion photoproduction from deuterium at LEGS resulted in the most interesting result of these two decades of work. By measuring the production of a charged pion (p + ) in coincidence with an emitted photon we observed structures in the residual two-nucleon system. These indicated the existence of long-lived states not explicable by standard nuclear theory; they suggest a set of configurations not explicable in terms of a nucleon-nucleon pair. The existence of such “exotic” structures has formed the foundation for most of the work that has ensued.« less

Frequency-agile gyrotron for electron decoupling and pulsed dynamic nuclear polarization.

PubMed

Scott, Faith J; Saliba, Edward P; Albert, Brice J; Alaniva, Nicholas; Sesti, Erika L; Gao, Chukun; Golota, Natalie C; Choi, Eric J; Jagtap, Anil P; Wittmann, Johannes J; Eckardt, Michael; Harneit, Wolfgang; Corzilius, Björn; Th Sigurdsson, Snorri; Barnes, Alexander B

2018-04-01

We describe a frequency-agile gyrotron which can generate frequency-chirped microwave pulses. An arbitrary waveform generator (AWG) within the NMR spectrometer controls the microwave frequency, enabling synchronized pulsed control of both electron and nuclear spins. We demonstrate that the acceleration of emitted electrons, and thus the microwave frequency, can be quickly changed by varying the anode voltage. This strategy results in much faster frequency response than can be achieved by changing the potential of the electron emitter, and does not require a custom triode electron gun. The gyrotron frequency can be swept with a rate of 20 MHz/μs over a 670 MHz bandwidth in a static magnetic field. We have already implemented time-domain electron decoupling with dynamic nuclear polarization (DNP) magic angle spinning (MAS) with this device. In this contribution, we show frequency-swept DNP enhancement profiles recorded without changing the NMR magnet or probe. The profile of endofullerenes exhibits a DNP profile with a <10 MHz linewidth, indicating that the device also has sufficient frequency stability, and therefore phase stability, to implement pulsed DNP mechanisms such as the frequency-swept solid effect. We describe schematics of the mechanical and vacuum construction of the device which includes a novel flanged sapphire window assembly. Finally, we discuss how commercially available continuous-wave gyrotrons can potentially be converted into similar frequency-agile high-power microwave sources. Copyright © 2018. Published by Elsevier Inc.

Breit interaction effects in relativistic theory of the nuclear spin-rotation tensor.

PubMed

Aucar, I Agustín; Gómez, Sergio S; Giribet, Claudia G; Ruiz de Azúa, Martín C

2013-09-07

In this work, relativistic effects on the nuclear spin-rotation (SR) tensor originated in the electron-nucleus and electron-electron Breit interactions are analysed. To this end, four-component numerical calculations were carried out in model systems HX (X=H,F,Cl,Br,I). The electron-nucleus Breit interaction couples the electrons and nuclei dynamics giving rise to a purely relativistic contribution to the SR tensor. Its leading order in 1/c is of the same value as that of relativistic corrections on the usual second order expression of the SR tensor considered in previous work [I. A. Aucar, S. S. Gómez, J. I. Melo, C. G. Giribet, and M. C. Ruiz de Azúa, J. Chem. Phys. 138, 134107 (2013)], and therefore it is absolutely necessary to establish its relative importance. For the sake of completeness, the corresponding effect originating in the electron-electron Breit interaction is also considered. It is verified that in all cases these Breit interactions yield only very small corrections to the SR tensors of both the X and H nuclei in the present series of compounds. Results of the present work strongly suggest that in order to achieve experimental accuracy in the theoretical study of the SR tensor both electron-nucleus and electron-electron Breit effects can be safely neglected.

A Multi-Contact, Low Capacitance HPGe Detector for High Rate Gamma Spectroscopy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Cox, Christopher

2014-12-04

The detection, identification and non-destructive assay of special nuclear materials and nuclear fission by-products are critically important activities in support of nuclear non-proliferation programs. Both national and international nuclear safeguard agencies recognize that current accounting methods for spent nuclear fuel are inadequate from a safeguards perspective. Radiation detection and analysis by gamma-ray spectroscopy is a key tool in this field, but no instrument exists that can deliver the required performance (energy resolution and detection sensitivity) in the presence of very high background count rates encountered in the nuclear safeguards arena. The work of this project addresses this critical need bymore » developing a unique gamma-ray detector based on high purity germanium that has the previously unachievable property of operating in the 1 million counts-per-second range while achieving state-of-the-art energy resolution necessary to identify and analyze the isotopes of interest. The technical approach was to design and fabricate a germanium detector with multiple segmented electrodes coupled to multi-channel high rate spectroscopy electronics. Dividing the germanium detector’s signal electrode into smaller sections offers two advantages; firstly, the energy resolution of the detector is potentially improved, and secondly, the detector is able to operate at higher count rates. The design challenges included the following; determining the optimum electrode configuration to meet the stringent energy resolution and count rate requirements; determining the electronic noise (and therefore energy resolution) of the completed system after multiple signals are recombined; designing the germanium crystal housing and vacuum cryostat; and customizing electronics to perform the signal recombination function in real time. In this phase I work, commercial off-the-shelf electrostatic modeling software was used to develop the segmented germanium crystal geometry, which underwent several iterations before an optimal electrode configuration was found. The model was tested and validated against real-world measurements with existing germanium detectors. Extensive modeling of electronic noise was conducted using established formulae, and real-world measurements were performed on candidate front-end electronic components. This initial work proved the feasibility of the design with respect to expected high count rate and energy resolution performance. Phase I also delivered the mechanical design of the detector housing and vacuum cryostat to be built in Phase II. Finally, a Monte Carlo simulation was created to show the response of the complete design to a Cs-137 source. This development presents a significant advance for nuclear safeguards instrumentation with increased speed and accuracy of detection and identification of special nuclear materials. Other significant applications are foreseen for a gamma-ray detector that delivers high energy resolution (1keV FWHM noise) at high count rate (1 Mcps), especially in the areas of physics research and materials analysis.« less

Large area nuclear particle detectors using ET materials

NASA Technical Reports Server (NTRS)

1987-01-01

The purpose of this SBIR Phase 1 feasibility effort was to demonstrate the usefulness of Quantex electron-trapping (ET) materials for spatial detection of nuclear particles over large areas. This demonstration entailed evaluating the prompt visible scintillation as nuclear particles impinged on films of ET materials, and subsequently detecting the nuclear particle impingement information pattern stored in the ET material, by means of the visible-wavelength luminescence produced by near-infrared interrogation. Readily useful levels of scintillation and luminescence outputs are demonstrated.

Activities report in nuclear physics and particle acceleration

NASA Astrophysics Data System (ADS)

Jansen, J. F. W.; Demeijer, R. J.

1984-04-01

Research on nuclear resonances; charge transfer; breakup of light and heavy ions; reaction mechanisms of heavy ion collisions; high-spin states; and fundamental symmetries in weak interactions are outlined. Group theoretical methods applied to supersymmetries; phenomenological description of rotation-vibration coupling; a microscopic theory of collective variables; the binding energy of hydrogen adsorbed on stepped platinium; and single electron capture are discussed. Isotopes for nuclear medicine, for off-line nuclear spectroscopy work, and for the study of hyperfine interactions were produced.

Photonuclear-based, nuclear material detection system for cargo containers

NASA Astrophysics Data System (ADS)

Jones, J. L.; Yoon, W. Y.; Norman, D. R.; Haskell, K. J.; Zabriskie, J. M.; Watson, S. M.; Sterbentz, J. W.

2005-12-01

The Idaho National Laboratory (INL) has been developing electron accelerator-based, photonuclear inspection technologies for over a decade. A current need, having important national implications, has been with the detection of smuggled nuclear material within air- and, especially, sea-cargo transportation containers. This paper describes the latest pulsed, photonuclear inspection system for nuclear material detection and identification in cargo configurations, the numerical responses of 5 kg of a nuclear material placed within selected cargo configurations, and the technology's potential role in addressing future inspection needs.

A new oxidation based technique for artifact free TEM specimen preparation of nuclear graphite

NASA Astrophysics Data System (ADS)

Johns, Steve; Shin, Wontak; Kane, Joshua J.; Windes, William E.; Ubic, Rick; Karthik, Chinnathambi

2018-07-01

Graphite is a key component in designs of current and future nuclear reactors whose in-service lifetimes are dependent upon the mechanical performance of the graphite. Irradiation damage from fast neutrons creates lattice defects which have a dynamic effect on the microstructure and mechanical properties of graphite. Transmission electron microscopy (TEM) can offer real-time monitoring of the dynamic atomic-level response of graphite subjected to irradiation; however, conventional TEM specimen-preparation techniques, such as argon ion milling itself, damage the graphite specimen and introduce lattice defects. It is impossible to distinguish these defects from the ones created by electron or neutron irradiation. To ensure that TEM specimens are artifact-free, a new oxidation-based technique has been developed. Bulk nuclear grades of graphite (IG-110 and NBG-18) and highly oriented pyrolytic graphite (HOPG) were initially mechanically thinned to ∼60 μm. Discs 3 mm in diameter were then oxidized at temperatures between 575 °C and 625 °C in oxidizing gasses using a new jet-polisher-like set-up in order to achieve optimal oxidation conditions to create self-supporting electron-transparent TEM specimens. The quality of these oxidized specimens were established using optical and electron microscopy. Samples oxidized at 575 °C exhibited large areas of electron transparency and the corresponding lattice imaging showed no apparent damage to the graphite lattice.

A new oxidation based technique for artifact free TEM specimen preparation of nuclear graphite

DOE Office of Scientific and Technical Information (OSTI.GOV)

Johns, Steve; Shin, Wontak; Kane, Joshua J.

Graphite is a key component in designs of current and future nuclear reactors whose in-service lifetimes are dependent upon the mechanical performance of the graphite. Irradiation damage from fast neutrons creates lattice defects which have a dynamic effect on the microstructure and mechanical properties of graphite. Transmission electron microscopy (TEM) can offer real-time monitoring of the dynamic atomic-level response of graphite subjected to irradiation; however, conventional TEM specimen-preparation techniques, such as argon ion milling itself, damage the graphite specimen and introduce lattice defects. It is impossible to distinguish these defects from the ones created by electron or neutron irradiation. Thus,tomore » ensure that TEM specimens are artifact-free, a new oxidation-based technique has been developed. Bulk nuclear grades of graphite (IG-110 and NBG-18) and highly oriented pyrolytic graphite (HOPG) were initially mechanically thinned to ~60μm. Discs 3mm in diameter were then oxidized at temperatures between 575°C and 625°C in oxidizing gasses using a new jet-polisher-like set-up in order to achieve optimal oxidation conditions to create self-supporting electron-transparent TEM specimens. The quality of these oxidized specimens were established using optical and electron microscopy. Samples oxidized at 575°C exhibited large areas of electron transparency and the corresponding lattice imaging showed no apparent damage to the graphite lattice.« less

Simulation of decay processes and radiation transport times in radioactivity measurements

NASA Astrophysics Data System (ADS)

García-Toraño, E.; Peyres, V.; Bé, M.-M.; Dulieu, C.; Lépy, M.-C.; Salvat, F.

2017-04-01

The Fortran subroutine package PENNUC, which simulates random decay pathways of radioactive nuclides, is described. The decay scheme of the active nuclide is obtained from the NUCLEIDE database, whose web application has been complemented with the option of exporting nuclear decay data (possible nuclear transitions, branching ratios, type and energy of emitted particles) in a format that is readable by the simulation subroutines. In the case of beta emitters, the initial energy of the electron or positron is sampled from the theoretical Fermi spectrum. De-excitation of the atomic electron cloud following electron capture and internal conversion is described using transition probabilities from the LLNL Evaluated Atomic Data Library and empirical or calculated energies of released X rays and Auger electrons. The time evolution of radiation showers is determined by considering the lifetimes of nuclear and atomic levels, as well as radiation propagation times. Although PENNUC is designed to operate independently, here it is used in conjunction with the electron-photon transport code PENELOPE, and both together allow the simulation of experiments with radioactive sources in complex material structures consisting of homogeneous bodies limited by quadric surfaces. The reliability of these simulation tools is demonstrated through comparisons of simulated and measured energy spectra from radionuclides with complex multi-gamma spectra, nuclides with metastable levels in their decay pathways, nuclides with two daughters, and beta plus emitters.

A new oxidation based technique for artifact free TEM specimen preparation of nuclear graphite

DOE PAGES

Johns, Steve; Shin, Wontak; Kane, Joshua J.; ...

2018-04-03

Graphite is a key component in designs of current and future nuclear reactors whose in-service lifetimes are dependent upon the mechanical performance of the graphite. Irradiation damage from fast neutrons creates lattice defects which have a dynamic effect on the microstructure and mechanical properties of graphite. Transmission electron microscopy (TEM) can offer real-time monitoring of the dynamic atomic-level response of graphite subjected to irradiation; however, conventional TEM specimen-preparation techniques, such as argon ion milling itself, damage the graphite specimen and introduce lattice defects. It is impossible to distinguish these defects from the ones created by electron or neutron irradiation. Thus,tomore » ensure that TEM specimens are artifact-free, a new oxidation-based technique has been developed. Bulk nuclear grades of graphite (IG-110 and NBG-18) and highly oriented pyrolytic graphite (HOPG) were initially mechanically thinned to ~60μm. Discs 3mm in diameter were then oxidized at temperatures between 575°C and 625°C in oxidizing gasses using a new jet-polisher-like set-up in order to achieve optimal oxidation conditions to create self-supporting electron-transparent TEM specimens. The quality of these oxidized specimens were established using optical and electron microscopy. Samples oxidized at 575°C exhibited large areas of electron transparency and the corresponding lattice imaging showed no apparent damage to the graphite lattice.« less

77 FR 49834 - Agency Information Collection Activities: Proposed Collection; Comment Request

Federal Register 2010, 2011, 2012, 2013, 2014

2012-08-17

... provide copies of licensee nuclear material event reports electronically or by hard copy to the NRC within... event information should be provided in a uniform electronic format, for assessment and identification...

Localization of nuclear subunits of cyclic AMP-dependent protein kinase by the immunocolloidal gold method

PubMed Central

1985-01-01

An immunocolloidal gold electron microscopy method is described allowing the ultrastructural localization and quantitation of the regulatory subunits RI and RII and the catalytic subunit C of cAMP- dependent protein kinase. Using a postembedding indirect immunogold labeling procedure that employs specific antisera, the catalytic and regulatory subunits were localized in electron-dense regions of the nucleus and in cytoplasmic areas with a minimum of nonspecific staining. Antigenic domains were localized in regions of the heterochromatin, nucleolus, interchromatin granules, and in the endoplasmic reticulum of different cell types, such as rat hepatocytes, ovarian granulosa cells, and spermatogonia, as well as cultured H4IIE hepatoma cells. Morphometric quantitation of the relative staining density of nuclear antigens indicated a marked modulation of the number of subunits per unit area under various physiologic conditions. For instance, following partial hepatectomy in rats, the staining density of the nuclear RI and C subunits was markedly increased 16 h after surgery. Glucagon treatment of rats increased the staining density of only the nuclear catalytic subunit. Dibutyryl cAMP treatment of H4IIE hepatoma cells led to a marked increase in the nuclear staining density of all three subunits of cAMP-dependent protein kinase. These studies demonstrate that specific antisera against cAMP-dependent protein kinase subunits may be used in combination with immunogold electron microscopy to identify the ultrastructural location of the subunits and to provide a semi-quantitative estimate of their relative cellular density. PMID:2993318

Parity violation in electron scattering

DOE PAGES

Souder, P.; Paschke, K. D.

2015-12-22

By comparing the cross sections for left- and right-handed electrons scattered from various unpolarized nuclear targets, the small parity-violating asymmetry can be measured. These asymmetry data probe a wide variety of important topics, including searches for new fundamental interactions and important features of nuclear structure that cannot be studied with other probes. A special feature of these experiments is that the results are interpreted with remarkably few theoretical uncertainties, which justifies pushing the experiments to the highest possible precision. To measure the small asymmetries accurately, a number of novel experimental techniques have been developed.

Atomic Radiations in the Decay of Medical Radioisotopes: A Physics Perspective

PubMed Central

Lee, B. Q.; Kibédi, T.; Stuchbery, A. E.; Robertson, K. A.

2012-01-01

Auger electrons emitted in nuclear decay offer a unique tool to treat cancer cells at the scale of a DNA molecule. Over the last forty years many aspects of this promising research goal have been explored, however it is still not in the phase of serious clinical trials. In this paper, we review the physical processes of Auger emission in nuclear decay and present a new model being developed to evaluate the energy spectrum of Auger electrons, and hence overcome the limitations of existing computations. PMID:22924061

Atomic radiations in the decay of medical radioisotopes: a physics perspective.

PubMed

Lee, B Q; Kibédi, T; Stuchbery, A E; Robertson, K A

2012-01-01

Auger electrons emitted in nuclear decay offer a unique tool to treat cancer cells at the scale of a DNA molecule. Over the last forty years many aspects of this promising research goal have been explored, however it is still not in the phase of serious clinical trials. In this paper, we review the physical processes of Auger emission in nuclear decay and present a new model being developed to evaluate the energy spectrum of Auger electrons, and hence overcome the limitations of existing computations.

The Trojan Horse Method in nuclear astrophysics

DOE Office of Scientific and Technical Information (OSTI.GOV)

Spitaleri, C., E-mail: spitaleri@lns.infn.it; Mukhamedzhanov, A. M.; Blokhintsev, L. D.

2011-12-15

The study of energy production and nucleosynthesis in stars requires an increasingly precise knowledge of the nuclear reaction rates at the energies of interest. To overcome the experimental difficulties arising from the small cross sections at those energies and from the presence of the electron screening, the Trojan Horse Method has been introduced. The method provides a valid alternative path to measure unscreened low-energy cross sections of reactions between charged particles, and to retrieve information on the electron screening potential when ultra-low energy direct measurements are available.

Discrimination of nuclear spin isomers exploiting the excited state dynamics of a quinodimethane derivative

DOE Office of Scientific and Technical Information (OSTI.GOV)

Obaid, Rana; Faculty of Pharmacy, Al-Quds University, Abu Dis, Palestine; Kinzel, Daniel

2014-10-28

Despite the concept of nuclear spin isomers (NSIs) exists since the early days of quantum mechanics, only few approaches have been suggested to separate different NSIs. Here, a method is proposed to discriminate different NSIs of a quinodimethane derivative using its electronic excited state dynamics. After electronic excitation by a laser field with femtosecond time duration, a difference in the behavior of several quantum mechanical operators can be observed. A pump-probe experimental approach for separating these different NSIs is then proposed.

Nuclear Tools For Oilfield Logging-While-Drilling Applications

NASA Astrophysics Data System (ADS)

Reijonen, Jani

2011-06-01

Schlumberger is an international oilfield service company with nearly 80,000 employees of 140 nationalities, operating globally in 80 countries. As a market leader in oilfield services, Schlumberger has developed a suite of technologies to assess the downhole environment, including, among others, electromagnetic, seismic, chemical, and nuclear measurements. In the past 10 years there has been a radical shift in the oilfield service industry from traditional wireline measurements to logging-while-drilling (LWD) analysis. For LWD measurements, the analysis is performed and the instruments are operated while the borehole is being drilled. The high temperature, high shock, and extreme vibration environment of LWD imposes stringent requirements for the devices used in these applications. This has a significant impact on the design of the components and subcomponents of a downhole tool. Another significant change in the past few years for nuclear-based oilwell logging tools is the desire to replace the sealed radioisotope sources with active, electronic ones. These active radiation sources provide great benefits compared to the isotopic sources, ranging from handling and safety to nonproliferation and well contamination issues. The challenge is to develop electronic generators that have a high degree of reliability for the entire lifetime of a downhole tool. LWD tool testing and operations are highlighted with particular emphasis on electronic radiation sources and nuclear detectors for the downhole environment.

Nuclear physics from Lattice QCD

NASA Astrophysics Data System (ADS)

Shanahan, Phiala

2017-09-01

I will discuss the current state and future scope of numerical Lattice Quantum Chromodynamics (LQCD) calculations of nuclear matrix elements. The goal of the program is to provide direct QCD calculations of nuclear observables relevant to experimental programs, including double-beta decay matrix elements, nuclear corrections to axial matrix elements relevant to long-baseline neutrino experiments and nuclear sigma terms needed for theory predictions of dark matter cross-sections at underground detectors. I will discuss the progress and challenges on these fronts, and also address recent work constraining a gluonic analogue of the EMC effect, which will be measurable at a future electron-ion collider.

Nuclear Spin Nanomagnet in an Optically Excited Quantum Dot

NASA Astrophysics Data System (ADS)

Korenev, V. L.

2007-12-01

Linearly polarized light tuned slightly below the optical transition of the negatively charged exciton (trion) in a single quantum dot causes the spontaneous nuclear spin polarization (self-polarization) at a level close to 100%. The effective magnetic field of spin-polarized nuclei shifts the optical transition energy close to resonance with photon energy. The resonantly enhanced Overhauser effect sustains the stability of the nuclear self-polarization even in the absence of spin polarization of the quantum dot electron. As a result the optically selected single quantum dot represents a tiny magnet with the ferromagnetic ordering of nuclear spins—the nuclear spin nanomagnet.

Nuclear spin nanomagnet in an optically excited quantum dot.

PubMed

Korenev, V L

2007-12-21

Linearly polarized light tuned slightly below the optical transition of the negatively charged exciton (trion) in a single quantum dot causes the spontaneous nuclear spin polarization (self-polarization) at a level close to 100%. The effective magnetic field of spin-polarized nuclei shifts the optical transition energy close to resonance with photon energy. The resonantly enhanced Overhauser effect sustains the stability of the nuclear self-polarization even in the absence of spin polarization of the quantum dot electron. As a result the optically selected single quantum dot represents a tiny magnet with the ferromagnetic ordering of nuclear spins-the nuclear spin nanomagnet.

Coherent coupling between a quantum dot and a donor in silicon

DOE PAGES

Harvey-Collard, Patrick; Jacobson, N. Tobias; Rudolph, Martin; ...

2017-10-18

Individual donors in silicon chips are used as quantum bits with extremely low error rates. However, physical realizations have been limited to one donor because their atomic size causes fabrication challenges. Quantum dot qubits, in contrast, are highly adjustable using electrical gate voltages. This adjustability could be leveraged to deterministically couple donors to quantum dots in arrays of qubits. In this work, we demonstrate the coherent interaction of a 31P donor electron with the electron of a metal-oxide-semiconductor quantum dot. We form a logical qubit encoded in the spin singlet and triplet states of the two-electron system. We show thatmore » the donor nuclear spin drives coherent rotations between the electronic qubit states through the contact hyperfine interaction. This provides every key element for compact two-electron spin qubits requiring only a single dot and no additional magnetic field gradients, as well as a means to interact with the nuclear spin qubit.« less

Continuous wave superconducting radio frequency electron linac for nuclear physics research

DOE Office of Scientific and Technical Information (OSTI.GOV)

Reece, Charles E.

CEBAF, the Continuous Electron Beam Accelerator Facility, has been actively serving the nuclear physics research community as a unique forefront international resource since 1995. This cw electron linear accelerator (linac) at the U.S. Department of Energy’s Thomas Jefferson National Accelerator Facility (Jefferson Lab) has continued to evolve as a precision tool for discerning the structure and dynamics within nuclei. Superconducting rf (SRF) technology has been the essential foundation for CEBAF, first as a 4 GeV machine, then 6 GeV, and currently capable of 12 GeV. Lastly, we review the development, implementation, and performance of SRF systems for CEBAF from itsmore » early beginnings to the commissioning of the 12 GeV era.« less

Advances in Monte-Carlo code TRIPOLI-4®'s treatment of the electromagnetic cascade

NASA Astrophysics Data System (ADS)

Mancusi, Davide; Bonin, Alice; Hugot, François-Xavier; Malouch, Fadhel

2018-01-01

TRIPOLI-4® is a Monte-Carlo particle-transport code developed at CEA-Saclay (France) that is employed in the domains of nuclear-reactor physics, criticality-safety, shielding/radiation protection and nuclear instrumentation. The goal of this paper is to report on current developments, validation and verification made in TRIPOLI-4 in the electron/positron/photon sector. The new capabilities and improvements concern refinements to the electron transport algorithm, the introduction of a charge-deposition score, the new thick-target bremsstrahlung option, the upgrade of the bremsstrahlung model and the improvement of electron angular straggling at low energy. The importance of each of the developments above is illustrated by comparisons with calculations performed with other codes and with experimental data.

Finite-nuclear-size contribution to the g factor of a bound electron: Higher-order effects

NASA Astrophysics Data System (ADS)

Karshenboim, Savely G.; Ivanov, Vladimir G.

2018-02-01

A precision comparison of theory and experiments on the g factor of an electron bound in a hydrogenlike ion with a spinless nucleus requires a detailed account of finite-nuclear-size contributions. While the relativistic corrections to the leading finite-size contribution are known, the higher-order effects need an additional consideration. Two results are presented in the paper. One is on the anomalous-magnetic-moment correction to the finite-size effects and the other is due to higher-order effects in Z α m RN . We also present here a method to relate the contributions to the g factor of a bound electron in a hydrogenlike atom to its energy within a nonrelativistic approach.

Continuous wave superconducting radio frequency electron linac for nuclear physics research

DOE PAGES

Reece, Charles E.

2016-12-28

CEBAF, the Continuous Electron Beam Accelerator Facility, has been actively serving the nuclear physics research community as a unique forefront international resource since 1995. This cw electron linear accelerator (linac) at the U.S. Department of Energy’s Thomas Jefferson National Accelerator Facility (Jefferson Lab) has continued to evolve as a precision tool for discerning the structure and dynamics within nuclei. Superconducting rf (SRF) technology has been the essential foundation for CEBAF, first as a 4 GeV machine, then 6 GeV, and currently capable of 12 GeV. Lastly, we review the development, implementation, and performance of SRF systems for CEBAF from itsmore » early beginnings to the commissioning of the 12 GeV era.« less

Demonstration of fundamental statistics by studying timing of electronics signals in a physics-based laboratory

NASA Astrophysics Data System (ADS)

Beach, Shaun E.; Semkow, Thomas M.; Remling, David J.; Bradt, Clayton J.

2017-07-01

We have developed accessible methods to demonstrate fundamental statistics in several phenomena, in the context of teaching electronic signal processing in a physics-based college-level curriculum. A relationship between the exponential time-interval distribution and Poisson counting distribution for a Markov process with constant rate is derived in a novel way and demonstrated using nuclear counting. Negative binomial statistics is demonstrated as a model for overdispersion and justified by the effect of electronic noise in nuclear counting. The statistics of digital packets on a computer network are shown to be compatible with the fractal-point stochastic process leading to a power-law as well as generalized inverse Gaussian density distributions of time intervals between packets.

Coupled electronic and atomic effects on defect evolution in silicon carbide under ion irradiation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhang, Yanwen; Xue, Haizhou; Zarkadoula, Eva

Understanding energy dissipation processes in electronic/atomic subsystems and subsequent non-equilibrium defect evolution is a long-standing challenge in materials science. In the intermediate energy regime, energetic particles simultaneously deposit a significant amount of energy to both electronic and atomic subsystems of silicon carbide (SiC). Here we show that defect evolution in SiC closely depends on the electronic-to-nuclear energy loss ratio (S e/S n), nuclear stopping powers ( dE/dx nucl), electronic stopping powers ( dE/dx ele), and the temporal and spatial coupling of electronic and atomic subsystem for energy dissipation. The integrated experiments and simulations reveal that: (1) increasing S e/S nmore » slows damage accumulation; (2) the transient temperatures during the ionization-induced thermal spike increase with dE/dx ele, which causes efficient damage annealing along the ion trajectory; and (3) for more condensed displacement damage within the thermal spike, damage production is suppressed due to the coupled electronic and atomic dynamics. Ionization effects are expected to be more significant in materials with covalent/ionic bonding involving predominantly well-localized electrons. Here, insights into the complex electronic and atomic correlations may pave the way to better control and predict SiC response to extreme energy deposition« less

Modeling time-coincident ultrafast electron transfer and solvation processes at molecule-semiconductor interfaces

NASA Astrophysics Data System (ADS)

Li, Lesheng; Giokas, Paul G.; Kanai, Yosuke; Moran, Andrew M.

2014-06-01

Kinetic models based on Fermi's Golden Rule are commonly employed to understand photoinduced electron transfer dynamics at molecule-semiconductor interfaces. Implicit in such second-order perturbative descriptions is the assumption that nuclear relaxation of the photoexcited electron donor is fast compared to electron injection into the semiconductor. This approximation breaks down in systems where electron transfer transitions occur on 100-fs time scale. Here, we present a fourth-order perturbative model that captures the interplay between time-coincident electron transfer and nuclear relaxation processes initiated by light absorption. The model consists of a fairly small number of parameters, which can be derived from standard spectroscopic measurements (e.g., linear absorbance, fluorescence) and/or first-principles electronic structure calculations. Insights provided by the model are illustrated for a two-level donor molecule coupled to both (i) a single acceptor level and (ii) a density of states (DOS) calculated for TiO2 using a first-principles electronic structure theory. These numerical calculations show that second-order kinetic theories fail to capture basic physical effects when the DOS exhibits narrow maxima near the energy of the molecular excited state. Overall, we conclude that the present fourth-order rate formula constitutes a rigorous and intuitive framework for understanding photoinduced electron transfer dynamics that occur on the 100-fs time scale.

Electron-Nuclear Dynamics in a Quantum Dot under Nonunitary Electron Control

DTIC Science & Technology

2011-07-20

relevant because inco - herent interactions are needed to initialize and read out the system. These experiments in quantum dots (QDs) ob- served dynamic...relaxation process is several orders of magnitude faster than what is used in Refs. [3,5]. The system we consider is a single electron trapped in a QD

Hyperspherical nuclear motion of H3 + and D3 + in the electronic triplet state, a 3Sigmau +.

PubMed

Ferreira, Tiago Mendes; Alijah, Alexander; Varandas, António J C

2008-02-07

The potential energy surface of H(3) (+) in the lowest electronic triplet state, a (3)Sigma(u) (+), shows three equivalent minima at linear nuclear configurations. The vibrational levels of H(3) (+) and D(3) (+) on this surface can therefore be described as superimposed linear molecule states. Owing to such a superposition, each vibrational state characterized by quantum numbers of an isolated linear molecule obtains a one- and a two-dimensional component. The energy splittings between the two components have now been rationalized within a hyperspherical picture. It is shown that nuclear motion along the hyperangle phi mainly accounts for the splittings and provides upper bounds. This hyperspherical motion can be considered an extension of the antisymmetric stretching motion of the individual linear molecule.

Nuclear quantum effects on adsorption of H 2 and isotopologues on metal ions

DOE PAGES

Savchenko, Ievgeniia; Gu, Bing; Heine, Thomas; ...

2017-01-03

The nuclear quantum effects on the zero-point energy (ZPE), influencing adsorption of Hmore » $$_2$$ and isotopologues on metal ions, are examined in this study using normal mode analysis of ab initio electronic structure results for complexes with 17 metal cations. To estimate for the anharmonicity, a nuclear wavepacket dynamics on the ground state electronic potential energy surfaces (PES) have been employed for complexes of Li$^+$ and Cu$$^{+2}$$ with H$$_2$$, D$$_2$$, HD. The dynamics analysis shows that incorporation of the PES anharmonicity changes the ZPE by up to 9%. Finally, the lightest metallic nuclei, Li and Be, are found to be the most 'quantum'. The largest selectivity in adsorption is predicted for Cu, Ni and Co ions.« less

Electron gun with a transmission photocathode for the Joint Institute for Nuclear Research photoinjector

NASA Astrophysics Data System (ADS)

Balalykin, N. I.; Minashkin, V. F.; Nozdrin, M. A.; Shirkov, G. D.; Zelenogorskii, V. V.; Gacheva, E. I.; Potemkin, A. K.; Huran, J.

2017-10-01

Photocathode electron guns are key to the generation of high-quality electron bunches, which are currently the primary source of electrons for linear electron accelerators. The photogun test bench built at the Joint Institute for Nuclear Research (JINR) is currently being used to further develop the hollow (backside irradiated) photocathode concept. A major achievement was the replacement of the hollow photocathode by a technologically more feasible transmission photocathode made from a metal mesh that serves as a substrate for films of various photomaterials. A number of thin-film cathodes on quartz glass substrates are fabricated by photolithography. The vectorial photoeffect (related to the surface-normal component of the wave electric field) is observed and found to significantly affect the quantum efficiency. The dependence of the quantum efficiency of diamond-like carbon photocathodes on the manufacturing technology is investigated. The Rutherford backscattering and elastic recoil detection techniques are combined to carry out an elemental analysis of the films. An estimate of the emittance of a 400 pC electron beam is obtained using the cross-section method.

10 CFR 140.5 - Communications.

Code of Federal Regulations, 2012 CFR

2012-01-01

...: ATTN: Document Control Desk, Director, Office of Nuclear Reactor Regulation, Director, Office of New Reactors, Director, Office of Federal and State Materials and Environmental Management Programs, or..., Rockville, Maryland; or, where practicable, by electronic submission, for example, via Electronic...

10 CFR 140.5 - Communications.

Code of Federal Regulations, 2011 CFR

2011-01-01

...: ATTN: Document Control Desk, Director, Office of Nuclear Reactor Regulation, Director, Office of New Reactors, Director, Office of Federal and State Materials and Environmental Management Programs, or..., Rockville, Maryland; or, where practicable, by electronic submission, for example, via Electronic...

Signature energetic analysis of accelerate electron beam after first acceleration station by accelerating stand of Joint Institute for Nuclear Research

NASA Astrophysics Data System (ADS)

Sledneva, A. S.; Kobets, V. V.

2017-06-01

The linear electron accelerator based on the LINAC - 800 accelerator imported from the Netherland is created at Joint Institute for Nuclear Research in the framework of the project on creation of the Testbed with an electron beam of a linear accelerator with an energy up to 250 MV. Currently two accelerator stations with a 60 MV energy of a beam are put in operation and the work is to put the beam through accelerating section of the third accelerator station. The electron beam with an energy of 23 MeV is used for testing the crystals (BaF2, CsI (native), and LYSO) in order to explore the opportunity to use them in particle detectors in experiments: Muon g-2, Mu2e, Comet, whose preparation requires a detailed study of the detectors properties such as their irradiation by the accelerator beams.

On the idea of low-energy nuclear reactions in metallic lattices by producing neutrons from protons capturing "heavy" electrons

NASA Astrophysics Data System (ADS)

Tennfors, Einar

2013-02-01

The present article is a critical comment on Widom and Larsens speculations concerning low-energy nuclear reactions (LENR) based on spontaneous collective motion of protons in a room temperature metallic hydride lattice producing oscillating electric fields that renormalize the electron self-energy, adding significantly to the effective electron mass and enabling production of low-energy neutrons. The frequency and mean proton displacement estimated on the basis of neutron scattering from protons in palladium and applied to the Widom and Larsens model of the proton oscillations yield an electron mass enhancement less than one percent, far below the threshold for the proposed neutron production and even farther below the mass enhancement obtained by Widom and Larsen assuming a high charge density. Neutrons are not stopped by the Coulomb barrier, but the energy required for the neutron production is not low.

Search for two-neutrino double electron capture of 124Xe with XENON100

NASA Astrophysics Data System (ADS)

Aprile, E.; Aalbers, J.; Agostini, F.; Alfonsi, M.; Amaro, F. D.; Anthony, M.; Arneodo, F.; Barrow, P.; Baudis, L.; Bauermeister, B.; Benabderrahmane, M. L.; Berger, T.; Breur, P. A.; Brown, A.; Brown, E.; Bruenner, S.; Bruno, G.; Budnik, R.; Bütikofer, L.; Calvén, J.; Cardoso, J. M. R.; Cervantes, M.; Cichon, D.; Coderre, D.; Colijn, A. P.; Conrad, J.; Cussonneau, J. P.; Decowski, M. P.; de Perio, P.; di Gangi, P.; di Giovanni, A.; Diglio, S.; Duchovni, E.; Fei, J.; Ferella, A. D.; Fieguth, A.; Franco, D.; Fulgione, W.; Gallo Rosso, A.; Galloway, M.; Gao, F.; Garbini, M.; Geis, C.; Goetzke, L. W.; Greene, Z.; Grignon, C.; Hasterok, C.; Hogenbirk, E.; Itay, R.; Kaminsky, B.; Kessler, G.; Kish, A.; Landsman, H.; Lang, R. F.; Lellouch, D.; Levinson, L.; Le Calloch, M.; Levy, C.; Lin, Q.; Lindemann, S.; Lindner, M.; Lopes, J. A. M.; Manfredini, A.; Marrodán Undagoitia, T.; Masbou, J.; Massoli, F. V.; Masson, D.; Mayani, D.; Meng, Y.; Messina, M.; Micheneau, K.; Miguez, B.; Molinario, A.; Murra, M.; Naganoma, J.; Ni, K.; Oberlack, U.; Orrigo, S. E. A.; Pakarha, P.; Pelssers, B.; Persiani, R.; Piastra, F.; Pienaar, J.; Piro, M.-C.; Plante, G.; Priel, N.; Rauch, L.; Reichard, S.; Reuter, C.; Rizzo, A.; Rosendahl, S.; Rupp, N.; Dos Santos, J. M. F.; Sartorelli, G.; Scheibelhut, M.; Schindler, S.; Schreiner, J.; Schumann, M.; Scotto Lavina, L.; Selvi, M.; Shagin, P.; Silva, M.; Simgen, H.; Sivers, M. V.; Stein, A.; Thers, D.; Tiseni, A.; Trinchero, G.; Tunnell, C. D.; Wall, R.; Wang, H.; Weber, M.; Wei, Y.; Weinheimer, C.; Wulf, J.; Zhang, Y.; Xenon Collaboration

2017-02-01

Two-neutrino double electron capture is a rare nuclear decay where two electrons are simultaneously captured from the atomic shell. For 124Xe this process has not yet been observed and its detection would provide a new reference for nuclear matrix element calculations. We have conducted a search for two-neutrino double electron capture from the K shell of 124Xe using 7636 kg d of data from the XENON100 dark matter detector. Using a Bayesian analysis we observed no significant excess above background, leading to a lower 90% credibility limit on the half-life T1 /2>6.5 ×1020 yr. We have also evaluated the sensitivity of the XENON1T experiment, which is currently being commissioned, and found a sensitivity of T1 /2>6.1 ×1022 yr after an exposure of 2 t yr .

Spatial distribution on high-order-harmonic generation of an H2+ molecule in intense laser fields

NASA Astrophysics Data System (ADS)

Zhang, Jun; Ge, Xin-Lei; Wang, Tian; Xu, Tong-Tong; Guo, Jing; Liu, Xue-Shen

2015-07-01

High-order-harmonic generation (HHG) for the H2 + molecule in a 3-fs, 800-nm few-cycle Gaussian laser pulse combined with a static field is investigated by solving the one-dimensional electronic and one-dimensional nuclear time-dependent Schrödinger equation within the non-Born-Oppenheimer approximation. The spatial distribution in HHG is demonstrated and the results present the recombination process of the electron with the two nuclei, respectively. The spatial distribution of the HHG spectra shows that there is little possibility of the recombination of the electron with the nuclei around the origin z =0 a.u. and equilibrium internuclear positions z =±1.3 a.u. This characteristic is irrelevant to laser parameters and is only attributed to the molecular structure. Furthermore, we investigate the time-dependent electron-nuclear wave packet and ionization probability to further explain the underlying physical mechanism.

Modeling Electronic-Nuclear Interactions for Excitation Energy Transfer Processes in Light-Harvesting Complexes.

PubMed

Lee, Mi Kyung; Coker, David F

2016-08-18

An accurate approach for computing intermolecular and intrachromophore contributions to spectral densities to describe the electronic-nuclear interactions relevant for modeling excitation energy transfer processes in light harvesting systems is presented. The approach is based on molecular dynamics (MD) calculations of classical correlation functions of long-range contributions to excitation energy fluctuations and a separate harmonic analysis and single-point gradient quantum calculations for electron-intrachromophore vibrational couplings. A simple model is also presented that enables detailed analysis of the shortcomings of standard MD-based excitation energy fluctuation correlation function approaches. The method introduced here avoids these problems, and its reliability is demonstrated in accurate predictions for bacteriochlorophyll molecules in the Fenna-Matthews-Olson pigment-protein complex, where excellent agreement with experimental spectral densities is found. This efficient approach can provide instantaneous spectral densities for treating the influence of fluctuations in environmental dissipation on fast electronic relaxation.

Radiation Hardened Electronics Destined For Severe Nuclear Reactor Environments

DOE Office of Scientific and Technical Information (OSTI.GOV)

Holbert, Keith E.; Clark, Lawrence T.

Post nuclear accident conditions represent a harsh environment for electronics. The full station blackout experience at Fukushima shows the necessity for emergency sensing capabilities in a radiation-enhanced environment. This NEET (Nuclear Energy Enabling Technologies) research project developed radiation hardened by design (RHBD) electronics using commercially available technology that employs commercial off-the-shelf (COTS) devices and present generation circuit fabrication techniques to improve the total ionizing dose (TID) hardness of electronics. Such technology not only has applicability to severe accident conditions but also to facilities throughout the nuclear fuel cycle in which radiation tolerance is required. For example, with TID tolerance tomore » megarads of dose, electronics could be deployed for long-term monitoring, inspection and decontamination missions. The present work has taken a two-pronged approach, specifically, development of both board and application-specific integrated circuit (ASIC) level RHBD techniques. The former path has focused on TID testing of representative microcontroller ICs with embedded flash (eFlash) memory, as well as standalone flash devices that utilize the same fabrication technologies. The standalone flash devices are less complicated, allowing better understanding of the TID response of the crucial circuits. Our TID experiments utilize biased components that are in-situ tested, and in full operation during irradiation. A potential pitfall in the qualification of memory circuits is the lack of rigorous testing of the possible memory states. For this reason, we employ test patterns that include all ones, all zeros, a checkerboard of zeros and ones, an inverse checkerboard, and random data. With experimental evidence of improved radiation response for unbiased versus biased conditions, a demonstration-level board using the COTS devices was constructed. Through a combination of redundancy and power gating, the demonstration board exhibits radiation resilience to over 200 krad. Furthermore, our ASIC microprocessor using RHBD techniques was shown to be fully functional after an exposure of 2.5 Mrad whereas the COTS microcontroller units failed catastrophically at <100 krad. The methods developed in this work can facilitate the long-term viability of radiation-hard robotic systems, thereby avoiding obsolescence issues. As a case in point, the nuclear industry with its low purchasing power does not drive the semiconductor industry strategic plans, and the rapid advancements in electronics technology can leave legacy systems stranded.« less

The physics of background discrimination in liquid xenon, and first results from Xenon10 in the hunt for WIMP dark matter

NASA Astrophysics Data System (ADS)

Dahl, Carl Eric

2009-06-01

The WIMP limit set by the Xenon10 experiment in 2007 signals a new era in direct detection of dark matter, with several large-scale liquid target detectors now under construction. A major challenge in these detectors will be to understand backgrounds at the level necessary to claim a positive WIMP signal. In liquid xenon, these backgrounds are dominated by electron recoils, which may be distinguished from the WIMP signal (nuclear recoils) by their higher charge-to-light ratio. During the construction and operation of Xenon10, the prototype detector Xed probed the physics of this discrimination. Particle interactions in liquid xenon both ionize and excite xenon atoms, giving charge and scintillation signals, respectively. Some fraction of ions recombine, reducing the charge signal and creating additional scintillation. The charge-to-light ratio, determined by the initial exciton-ion ratio and the ion recombination fraction, provides the basis for discrimination between electron and nuclear recoils. Intrinsic fluctuations in the recombination fraction limit discrimination. Changes in recombination induce an exact anti-correlation between charge and light, and when calibrated this anti-correlation distinguishes recombination fluctuations from uncorrelated fluctuations in the measured signals. We determine the mean recombination and recombination fluctuations as a function of energy and applied field for electron and nuclear recoils, finding that recombination fluctuations are already the limiting factor for discrimination above ~12 keVr (nuclear recoil energy). Below 12 keVr statistical fluctuations in the number of scintillation photons counted dominate, and we project a x6 improvement in background rejection with a x2 increase in light collection efficiency. We also build a simple recombination model that successfully reproduces the mean recombination in electron and nuclear recoils, including the surprising reversal of the expected trend for recombination with ionization density in low energy electron recoils. The model also reproduces the measured recombination fluctuations to within a factor of two at high energies. Surprisingly, the model suggests that recombination at low energies is independent of ionization density, and our observed discrimination is due not to the different stopping powers of electrons and nuclei as was thought, but rather to a different initial exciton-ion ratio. We suggest two possible physical models for this new result.

A proteomic study of the arabidopsis nuclear matrix.

PubMed

Calikowski, Tomasz T; Meulia, Tea; Meier, Iris

2003-10-01

The eukaryotic nucleus has been proposed to be organized by two interdependent nucleoprotein structures, the DNA-based chromatin and the RNA-dependent nuclear matrix. The functional composition and molecular organization of the second component have not yet been resolved. Here, we describe the isolation of the nuclear matrix from the model plant Arabidopsis, its initial characterization by confocal and electron microscopy, and the identification of 36 proteins by mass spectrometry. Electron microscopy of resinless samples confirmed a structure very similar to that described for the animal nuclear matrix. Two-dimensional gel electrophoresis resolved approximately 300 protein spots. Proteins were identified in batches by ESI tandem mass spectrometry after resolution by 1D SDS-PAGE. Among the identified proteins were a number of demonstrated or predicted Arabidopsis homologs of nucleolar proteins such as IMP4, Nop56, Nop58, fibrillarins, nucleolin, as well as ribosomal components and a putative histone deacetylase. Others included homologs of eEF-1, HSP/HSC70, and DnaJ, which have also been identified in the nucleolus or nuclear matrix of human cells, as well as a number of novel proteins with unknown function. This study is the first proteomic approach towards the characterization of a higher plant nuclear matrix. It demonstrates the striking similarities both in structure and protein composition of the operationally defined nuclear matrix across kingdoms whose unicellular ancestors have separated more than one billion years ago. Copyright 2003 Wiley-Liss, Inc.

Electron spin polarization by isospin ordering in correlated two-layer quantum Hall systems.

PubMed

Tiemann, L; Wegscheider, W; Hauser, M

2015-05-01

Enhancement of the electron spin polarization in a correlated two-layer, two-dimensional electron system at a total Landau level filling factor of 1 is reported. Using resistively detected nuclear magnetic resonance, we demonstrate that the electron spin polarization of two closely spaced two-dimensional electron systems becomes maximized when interlayer Coulomb correlations establish spontaneous isospin ferromagnetic order. This correlation-driven polarization dominates over the spin polarizations of competing single-layer fractional quantum Hall states under electron density imbalances.

ELECTRON-CAPTURE AND β-DECAY RATES FOR sd-SHELL NUCLEI IN STELLAR ENVIRONMENTS RELEVANT TO HIGH-DENSITY O–NE–MG CORES

DOE Office of Scientific and Technical Information (OSTI.GOV)

Suzuki, Toshio; Toki, Hiroshi; Nomoto, Ken’ichi, E-mail: suzuki@phys.chs.nihon-u.ac.jp

Electron-capture and β-decay rates for nuclear pairs in the sd-shell are evaluated at high densities and high temperatures relevant to the final evolution of electron-degenerate O–Ne–Mg cores of stars with initial masses of 8–10 M{sub ⊙}. Electron capture induces a rapid contraction of the electron-degenerate O–Ne–Mg core. The outcome of rapid contraction depends on the evolutionary changes in the central density and temperature, which are determined by the competing processes of contraction, cooling, and heating. The fate of the stars is determined by these competitions, whether they end up with electron-capture supernovae or Fe core-collapse supernovae. Since the competing processes aremore » induced by electron capture and β-decay, the accurate weak rates are crucially important. The rates are obtained for pairs with A = 20, 23, 24, 25, and 27 by shell-model calculations in the sd-shell with the USDB Hamiltonian. Effects of Coulomb corrections on the rates are evaluated. The rates for pairs with A = 23 and 25 are important for nuclear Urca processes that determine the cooling rate of the O–Ne–Mg core, while those for pairs with A = 20 and 24 are important for the core contraction and heat generation rates in the core. We provide these nuclear rates at stellar environments in tables with fine enough meshes at various densities and temperatures for studies of astrophysical processes sensitive to the rates. In particular, the accurate rate tables are crucially important for the final fates of not only O–Ne–Mg cores but also a wider range of stars, such as C–O cores of lower-mass stars.« less

Physics Opportunity with an Electron-Ion Collider

DOE Office of Scientific and Technical Information (OSTI.GOV)

Rossi, Patrizia

2016-12-01

Understanding the emergence of nucleons and nuclei and their interactions from the properties and dynamics of quarks and gluons in Quantum Chromodynamics (QCD) is a fundamental and compelling goal of nuclear science. A high-energy, high-luminosity polarized electron-ion collider (EIC) will be needed to explore and advance many aspects of QCD studies in the gluon dominated regions in nucleon and nuclei. The federal Nuclear Science Advisory Committee unanimously approved a high-energy electro-ion collider to explore a new frontier in physics research. In fact, the committee calls the collider the country's next "highest priority" in new facility construction, and is one ofmore » four main recommendations contained in its 2015 Long Range Plan for Nuclear Science. Two proposals for the EIC are being considered in the U.S.: one each at Jefferson Laboratory (JLab) and at Brookhaven National Laboratory (BNL). An overview of the physics opportunities an EIC presents to the nuclear science community in future decades is presented.« less

Constraints on the symmetry energy from neutron star observations

NASA Astrophysics Data System (ADS)

Newton, W. G.; Gearheart, M.; Wen, De-Hua; Li, Bao-An

2013-03-01

The modeling of many neutron star observables incorporates the microphysics of both the stellar crust and core, which is tied intimately to the properties of the nuclear matter equation of state (EoS). We explore the predictions of such models over the range of experimentally constrained nuclear matter parameters, focusing on the slope of the symmetry energy at nuclear saturation density L. We use a consistent model of the composition and EoS of neutron star crust and core matter to model the binding energy of pulsar B of the double pulsar system J0737-3039, the frequencies of torsional oscillations of the neutron star crust and the instability region for r-modes in the neutron star core damped by electron-electron viscosity at the crust-core interface. By confronting these models with observations, we illustrate the potential of astrophysical observables to offer constraints on poorly known nuclear matter parameters complementary to terrestrial experiments, and demonstrate that our models consistently predict L < 70 MeV.

Low-Field Nuclear Polarization Using Nitrogen Vacancy Centers in Diamonds

NASA Astrophysics Data System (ADS)

Hovav, Y.; Naydenov, B.; Jelezko, F.; Bar-Gill, N.

2018-02-01

It was recently demonstrated that bulk nuclear polarization can be obtained using nitrogen vacancy (NV) color centers in diamonds, even at ambient conditions. This is based on the optical polarization of the NV electron spin, and using several polarization transfer methods. One such method is the nuclear orientation via electron spin locking (NOVEL) sequence, where a spin-locked sequence is applied on the NV spin, with a microwave power equal to the nuclear precession frequency. This was performed at relatively high fields, to allow for both polarization transfer and noise decoupling. As a result, this scheme requires accurate magnetic field alignment in order preserve the NV properties. Such a requirement may be undesired or impractical in many practical scenarios. Here we present a new sequence, termed the refocused NOVEL, which can be used for polarization transfer (and detection) even at low fields. Numerical simulations are performed, taking into account both the spin Hamiltonian and spin decoherence, and we show that, under realistic parameters, it can outperform the NOVEL sequence.

Nuclear magnetic and nuclear quadrupole resonance parameters of β-carboline derivatives calculated using density functional theory

NASA Astrophysics Data System (ADS)

Ahmadinejad, Neda; Tari, Mostafa Talebi

2017-04-01

A density functional theory (DFT) calculations using B3LYP/6-311++G( d,p) method were carried out to investigate the relative stability of the molecules of β-carboline derivatives such as harmaline, harmine, harmalol, harmane and norharmane. Calculated nuclear quadrupole resonance (NQR) parameters were used to determine the 14N nuclear quadrupole coupling constant χ, asymmetry parameter η and EFG tensor ( q zz ). For better understanding of the electronic structure of β-carboline derivatives, natural bond orbital (NBO) analysis, isotropic and anisotropic NMR chemical shieldings were calculated for 14N nuclei using GIAO method for the optimized structures. The NBO analysis shows that pyrrole ring nitrogen (N9) atom has greater tendency than pyridine ring nitrogen (N2) atom to participate in resonance interactions and aromaticity development in the all of these structures. The NMR and NQR parameters were studied in order to find the correlations between electronic structure and the structural stability of the studied molecules.

Planar and non-planar nucleus-acoustic shock structures in self-gravitating degenerate quantum plasma systems

NASA Astrophysics Data System (ADS)

Zaman, D. M. S.; Amina, M.; Dip, P. R.; Mamun, A. A.

2017-11-01

The basic properties of planar and non-planar (spherical and cylindrical) nucleus-acoustic (NA) shock structures (SSs) in a strongly coupled self-gravitating degenerate quantum plasma system (containing strongly coupled non-relativistically degenerate heavy nuclear species, weakly coupled non-relativistically degenerate light nuclear species, and inertialess non-/ultra-relativistically degenerate electrons) have been investigated. The generalized quantum hydrodynamic model and the reductive perturbation method have been used to derive the modified Burgers equation. It is shown that the strong correlation among heavy nuclear species acts as the source of dissipation and is responsible for the formation of the NA SSs with positive (negative) electrostatic (self-gravitational) potential. It is also observed that the effects of non-/ultra-relativistically degenerate electron pressure, dynamics of non-relativistically degenerate light nuclear species, spherical geometry, etc., significantly modify the basic features of the NA SSs. The applications of our results in astrophysical compact objects like white dwarfs and neutron stars are briefly discussed.

Communication: Nuclear quadrupole moment-induced Cotton-Mouton effect in noble gas atoms

DOE Office of Scientific and Technical Information (OSTI.GOV)

Fu, Li-juan; Vaara, Juha, E-mail: juha.vaara@iki.fi; Rizzo, Antonio

New, high-sensitivity and high-resolution spectroscopic and imaging methods may be developed by exploiting nuclear magneto-optic effects. A first-principles electronic structure formulation of nuclear electric quadrupole moment-induced Cotton-Mouton effect (NQCME) is presented for closed-shell atoms. In NQCME, aligned quadrupole moments alter the index of refraction of the medium along with and perpendicular to the direction of nuclear alignment. The roles of basis-set convergence, electron correlation, and relativistic effects are investigated for three quadrupolar noble gas isotopes: {sup 21}Ne, {sup 83}Kr, and {sup 131}Xe. The magnitude of the resulting ellipticities is predicted to be 10{sup −4}–10{sup −6} rad/(M cm) for fully spin-polarized nuclei.more » These should be detectable in the Voigt setup. Particularly interesting is the case of {sup 131}Xe, in which a high degree of spin polarization can be achieved via spin-exchange optical hyperpolarization.« less

Improved pulse shape discrimination in EJ-301 liquid scintillators

NASA Astrophysics Data System (ADS)

Lang, R. F.; Masson, D.; Pienaar, J.; Röttger, S.

2017-06-01

Digital pulse shape discrimination has become readily available to distinguish nuclear recoil and electronic recoil events in scintillation detectors. We evaluate digital implementations of pulse shape discrimination algorithms discussed in the literature, namely the Charge Comparison Method, Pulse-Gradient Analysis, Fourier Series and Standard Event Fitting. In addition, we present a novel algorithm based on a Laplace Transform. Instead of comparing the performance of these algorithms based on a single Figure of Merit, we evaluate them as a function of recoil energy. Specifically, using commercial EJ-301 liquid scintillators, we examined both the resulting acceptance of nuclear recoils at a given rejection level of electronic recoils, as well as the purity of the selected nuclear recoil event samples. We find that both a Standard Event fit and a Laplace Transform can be used to significantly improve the discrimination capabilities over the whole considered energy range of 0 - 800keVee . Furthermore, we show that the Charge Comparison Method performs poorly in accurately identifying nuclear recoils.

Solid-state dynamic nuclear polarization at 263 GHz: spectrometer design and experimental results†

PubMed Central

Rosay, Melanie; Tometich, Leo; Pawsey, Shane; Bader, Reto; Schauwecker, Robert; Blank, Monica; Borchard, Philipp M.; Cauffman, Stephen R.; Felch, Kevin L.; Weber, Ralph T.; Temkin, Richard J.; Griffin, Robert G.; Maas, Werner E.

2015-01-01

Dynamic Nuclear Polarization (DNP) experiments transfer polarization from electron spins to nuclear spins with microwave irradiation of the electron spins for enhanced sensitivity in nuclear magnetic resonance (NMR) spectroscopy. Design and testing of a spectrometer for magic angle spinning (MAS) DNP experiments at 263 GHz microwave frequency, 400 MHz 1H frequency is described. Microwaves are generated by a novel continuous-wave gyrotron, transmitted to the NMR probe via a transmission line, and irradiated on a 3.2 mm rotor for MAS DNP experiments. DNP signal enhancements of up to 80 have been measured at 95 K on urea and proline in water–glycerol with the biradical polarizing agent TOTAPOL. We characterize the experimental parameters affecting the DNP efficiency: the magnetic field dependence, temperature dependence and polarization build-up times, microwave power dependence, sample heating effects, and spinning frequency dependence of the DNP signal enhancement. Stable system operation, including DNP performance, is also demonstrated over a 36 h period. PMID:20449524

Low-Temperature Dynamic Nuclear Polarization at 9.4 Tesla With a 30 Milliwatt Microwave Source

PubMed Central

Thurber, Kent R.; Yau, Wai-Ming; Tycko, Robert

2010-01-01

Dynamic nuclear polarization (DNP) can provide large signal enhancements in nuclear magnetic resonance (NMR) by transfer of polarization from electron spins to nuclear spins. We discuss several aspects of DNP experiments at 9.4 Tesla (400 MHz resonant frequency for 1H, 264 GHz for electron spins in organic radicals) in the 7–80 K temperature range, using a 30 mW, frequency-tunable microwave source and a quasi-optical microwave bridge for polarization control and low-loss microwave transmission. In experiments on frozen glycerol/water doped with nitroxide radicals, DNP signal enhancements up to a factor of 80 are observed (relative to 1H NMR signals with thermal equilibrium spin polarization). The largest sensitivity enhancements are observed with a new triradical dopant, DOTOPA-TEMPO. Field modulation with a 10 G root-mean-squared amplitude during DNP increases the nuclear spin polarizations by up to 135%. Dependencies of 1H NMR signal amplitudes, nuclear spin relaxation times, and DNP build-up times on the dopant and its concentration, temperature, microwave power, and modulation frequency are reported and discussed. The benefits of low-temperature DNP can be dramatic: the 1H spin polarization is increased approximately 1000-fold at 7 K with DNP, relative to thermal polarization at 80 K. PMID:20392658

Nuclear forensics of a non-traditional sample: Neptunium

DOE Office of Scientific and Technical Information (OSTI.GOV)

Doyle, Jamie L.; Schwartz, Daniel; Tandon, Lav

Recent nuclear forensics cases have focused primarily on plutonium (Pu) and uranium (U) materials. By definition however, nuclear forensics can apply to any diverted nuclear material. This includes neptunium (Np), an internationally safeguarded material like Pu and U, that could offer a nuclear security concern if significant quantities were found outside of regulatory control. This case study couples scanning electron microscopy (SEM) with quantitative analysis using newly developed specialized software, to evaluate a non-traditional nuclear forensic sample of Np. Here, the results of the morphological analyses were compared with another Np sample of known pedigree, as well as other traditionalmore » actinide materials in order to determine potential processing and point-of-origin.« less

Nuclear forensics of a non-traditional sample: Neptunium

DOE PAGES

Doyle, Jamie L.; Schwartz, Daniel; Tandon, Lav

2016-05-16

Recent nuclear forensics cases have focused primarily on plutonium (Pu) and uranium (U) materials. By definition however, nuclear forensics can apply to any diverted nuclear material. This includes neptunium (Np), an internationally safeguarded material like Pu and U, that could offer a nuclear security concern if significant quantities were found outside of regulatory control. This case study couples scanning electron microscopy (SEM) with quantitative analysis using newly developed specialized software, to evaluate a non-traditional nuclear forensic sample of Np. Here, the results of the morphological analyses were compared with another Np sample of known pedigree, as well as other traditionalmore » actinide materials in order to determine potential processing and point-of-origin.« less

Visualizing the molecular sociology at the HeLa cell nuclear periphery.

PubMed

Mahamid, Julia; Pfeffer, Stefan; Schaffer, Miroslava; Villa, Elizabeth; Danev, Radostin; Cuellar, Luis Kuhn; Förster, Friedrich; Hyman, Anthony A; Plitzko, Jürgen M; Baumeister, Wolfgang

2016-02-26

The molecular organization of eukaryotic nuclear volumes remains largely unexplored. Here we combined recent developments in cryo-electron tomography (cryo-ET) to produce three-dimensional snapshots of the HeLa cell nuclear periphery. Subtomogram averaging and classification of ribosomes revealed the native structure and organization of the cytoplasmic translation machinery. Analysis of a large dynamic structure-the nuclear pore complex-revealed variations detectable at the level of individual complexes. Cryo-ET was used to visualize previously elusive structures, such as nucleosome chains and the filaments of the nuclear lamina, in situ. Elucidation of the lamina structure provides insight into its contribution to metazoan nuclear stiffness. Copyright © 2016, American Association for the Advancement of Science.

Multicomponent density functional theory embedding formulation.

PubMed

Culpitt, Tanner; Brorsen, Kurt R; Pak, Michael V; Hammes-Schiffer, Sharon

2016-07-28

Multicomponent density functional theory (DFT) methods have been developed to treat two types of particles, such as electrons and nuclei, quantum mechanically at the same level. In the nuclear-electronic orbital (NEO) approach, all electrons and select nuclei, typically key protons, are treated quantum mechanically. For multicomponent DFT methods developed within the NEO framework, electron-proton correlation functionals based on explicitly correlated wavefunctions have been designed and used in conjunction with well-established electronic exchange-correlation functionals. Herein a general theory for multicomponent embedded DFT is developed to enable the accurate treatment of larger systems. In the general theory, the total electronic density is separated into two subsystem densities, denoted as regular and special, and different electron-proton correlation functionals are used for these two electronic densities. In the specific implementation, the special electron density is defined in terms of spatially localized Kohn-Sham electronic orbitals, and electron-proton correlation is included only for the special electron density. The electron-proton correlation functional depends on only the special electron density and the proton density, whereas the electronic exchange-correlation functional depends on the total electronic density. This scheme includes the essential electron-proton correlation, which is a relatively local effect, as well as the electronic exchange-correlation for the entire system. This multicomponent DFT-in-DFT embedding theory is applied to the HCN and FHF(-) molecules in conjunction with two different electron-proton correlation functionals and three different electronic exchange-correlation functionals. The results illustrate that this approach provides qualitatively accurate nuclear densities in a computationally tractable manner. The general theory is also easily extended to other types of partitioning schemes for multicomponent systems.

Multicomponent density functional theory embedding formulation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Culpitt, Tanner; Brorsen, Kurt R.; Pak, Michael V.

Multicomponent density functional theory (DFT) methods have been developed to treat two types of particles, such as electrons and nuclei, quantum mechanically at the same level. In the nuclear-electronic orbital (NEO) approach, all electrons and select nuclei, typically key protons, are treated quantum mechanically. For multicomponent DFT methods developed within the NEO framework, electron-proton correlation functionals based on explicitly correlated wavefunctions have been designed and used in conjunction with well-established electronic exchange-correlation functionals. Herein a general theory for multicomponent embedded DFT is developed to enable the accurate treatment of larger systems. In the general theory, the total electronic density ismore » separated into two subsystem densities, denoted as regular and special, and different electron-proton correlation functionals are used for these two electronic densities. In the specific implementation, the special electron density is defined in terms of spatially localized Kohn-Sham electronic orbitals, and electron-proton correlation is included only for the special electron density. The electron-proton correlation functional depends on only the special electron density and the proton density, whereas the electronic exchange-correlation functional depends on the total electronic density. This scheme includes the essential electron-proton correlation, which is a relatively local effect, as well as the electronic exchange-correlation for the entire system. This multicomponent DFT-in-DFT embedding theory is applied to the HCN and FHF{sup −} molecules in conjunction with two different electron-proton correlation functionals and three different electronic exchange-correlation functionals. The results illustrate that this approach provides qualitatively accurate nuclear densities in a computationally tractable manner. The general theory is also easily extended to other types of partitioning schemes for multicomponent systems.« less

Role of Electronic Structure In Ion Band State Theory of Low Energy Nuclear Reactions

NASA Astrophysics Data System (ADS)

Chubb, Scott

2004-03-01

The Nuts and Bolts of our Ion Band State (IBS) theory of low energy nuclear reactions (LENR's) in palladium-deuteride (PdD) and palladium-hydride (PdH) are the electrons that hold together or tear apart the bonds (or lack of bonds) between deuterons (d's) or protons (p's) and the host material. In PdDx and PdH_x, this bonding is strongly correlated with loading: in ambient loading conditions (x< 0. 6), the bonding in hibits IBS occupation. As x arrow 1, slight increases and decreases in loading can lead to vibrations (which have conventionally been thought to occur from phonons) that can induce potential losses or increases of p/d. Naive assumptions about phonons fail to include these losses and increases. These effects can occur because neither H or D has core electrons and because in either PdD or PdH, the electrons near the Fermi Energy have negligible overlap with the nucleus of either D or H. I use these ideas to develop a formal justification, based on a generalization of conventional band theory (Scott Chubb, "Semi-Classical Conduction of Charged and Neutral Particles in Finite Lattices," 2004 March Meeting."), for the idea that occupation of IBS's can occur and that this can lead to nuclear reactions.

Correlating nuclear frequencies by two-dimensional ELDOR-detected NMR spectroscopy.

PubMed

Kaminker, Ilia; Wilson, Tiffany D; Savelieff, Masha G; Hovav, Yonatan; Zimmermann, Herbert; Lu, Yi; Goldfarb, Daniella

2014-03-01

ELDOR (Electron Double Resonance)-detected NMR (EDNMR) is a pulse EPR experiment that is used to measure the transition frequencies of nuclear spins coupled to electron spins. These frequencies are further used to determine hyperfine and quadrupolar couplings, which are signatures of the electronic and spatial structures of paramagnetic centers. In recent years, EDNMR has been shown to be particularly useful at high fields/high frequencies, such as W-band (∼95 GHz, ∼3.5 T), for low γ quadrupolar nuclei. Although at high fields the nuclear Larmor frequencies are usually well resolved, the limited resolution of EDNMR still remains a major concern. In this work we introduce a two dimensional, triple resonance, correlation experiment based on the EDNMR pulse sequence, which we term 2D-EDNMR. This experiment allows circumventing the resolution limitation by spreading the signals in two dimensions and the observed correlations help in the assignment of the signals. First we demonstrate the utility of the 2D-EDNMR experiment on a nitroxide spin label, where we observe correlations between (14)N nuclear frequencies. Negative cross-peaks appear between lines belonging to different MS electron spin manifolds. We resolved two independent correlation patterns for nuclear frequencies arising from the EPR transitions corresponding to the (14)N mI=0 and mI=-1 nuclear spin states, which severely overlap in the one dimensional EDNMR spectrum. The observed correlations could be accounted for by considering changes in the populations of energy levels that S=1/2, I=1 spin systems undergo during the pulse sequence. In addition to these negative cross-peaks, positive cross-peaks appear as well. We present a theoretical model based on the Liouville equation and use it to calculate the time evolution of populations of the various energy levels during the 2D-EDNMR experiment and generated simulated 2D-EDMR spectra. These calculations show that the positive cross-peaks appear due to off resonance effects and/or nuclear relaxation effects. These results suggest that the 2D-EDNMR experiment can be also useful for relaxation pathway studies. Finally we present preliminary results demonstrating that 2D-EDNMR can resolve overlapping (33)S and (14)N signals of type 1 Cu(II) center in (33)S enriched Azurin. Copyright © 2014 Elsevier Inc. All rights reserved.

Dynamic nuclear polarization assisted spin diffusion for the solid effect case.

PubMed

Hovav, Yonatan; Feintuch, Akiva; Vega, Shimon

2011-02-21

The dynamic nuclear polarization (DNP) process in solids depends on the magnitudes of hyperfine interactions between unpaired electrons and their neighboring (core) nuclei, and on the dipole-dipole interactions between all nuclei in the sample. The polarization enhancement of the bulk nuclei has been typically described in terms of a hyperfine-assisted polarization of a core nucleus by microwave irradiation followed by a dipolar-assisted spin diffusion process in the core-bulk nuclear system. This work presents a theoretical approach for the study of this combined process using a density matrix formalism. In particular, solid effect DNP on a single electron coupled to a nuclear spin system is considered, taking into account the interactions between the spins as well as the main relaxation mechanisms introduced via the electron, nuclear, and cross-relaxation rates. The basic principles of the DNP-assisted spin diffusion mechanism, polarizing the bulk nuclei, are presented, and it is shown that the polarization of the core nuclei and the spin diffusion process should not be treated separately. To emphasize this observation the coherent mechanism driving the pure spin diffusion process is also discussed. In order to demonstrate the effects of the interactions and relaxation mechanisms on the enhancement of the nuclear polarization, model systems of up to ten spins are considered and polarization buildup curves are simulated. A linear chain of spins consisting of a single electron coupled to a core nucleus, which in turn is dipolar coupled to a chain of bulk nuclei, is considered. The interaction and relaxation parameters of this model system were chosen in a way to enable a critical analysis of the polarization enhancement of all nuclei, and are not far from the values of (13)C nuclei in frozen (glassy) organic solutions containing radicals, typically used in DNP at high fields. Results from the simulations are shown, demonstrating the complex dependences of the DNP-assisted spin diffusion process on variations of the relevant parameters. In particular, the effect of the spin lattice relaxation times on the polarization buildup times and the resulting end polarization are discussed, and the quenching of the polarizations by the hyperfine interaction is demonstrated.

10 CFR 150.4 - Communications.

Code of Federal Regulations, 2011 CFR

2011-01-01

... sent by mail addressed: ATTN: Document Control Desk, Director, Office of Federal and State Materials and Environmental Management Programs, and sent either by mail to the U.S. Nuclear Regulatory..., Rockville, Maryland; or, where practicable, by electronic submission, for example, via Electronic...

10 CFR 62.3 - Communications.

Code of Federal Regulations, 2011 CFR

2011-01-01

... under them should be sent by mail addressed: ATTN: Document Control Desk, Director, Office of Federal and State Materials and Environmental Management Programs, U.S. Nuclear Regulatory Commission...; or, where practicable, by electronic submission, for example, via Electronic Information Exchange, or...

10 CFR 62.3 - Communications.

Code of Federal Regulations, 2012 CFR

2012-01-01

... under them should be sent by mail addressed: ATTN: Document Control Desk, Director, Office of Federal and State Materials and Environmental Management Programs, U.S. Nuclear Regulatory Commission...; or, where practicable, by electronic submission, for example, via Electronic Information Exchange, or...

10 CFR 150.4 - Communications.

Code of Federal Regulations, 2012 CFR

2012-01-01

... sent by mail addressed: ATTN: Document Control Desk, Director, Office of Federal and State Materials and Environmental Management Programs, and sent either by mail to the U.S. Nuclear Regulatory..., Rockville, Maryland; or, where practicable, by electronic submission, for example, via Electronic...

NATALIE: A 32 detector integrated acquisition system to characterize laser produced energetic particles with nuclear techniques

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tarisien, M.; Plaisir, C.; Gobet, F.

2011-02-15

We present a stand-alone system to characterize the high-energy particles emitted in the interaction of ultrahigh intensity laser pulses with matter. According to the laser and target characteristics, electrons or protons are produced with energies higher than a few mega electron volts. Selected material samples can, therefore, be activated via nuclear reactions. A multidetector, named NATALIE, has been developed to count the {beta}{sup +} activity of these irradiated samples. The coincidence technique used, designed in an integrated system, results in very low background in the data, which is required for low activity measurements. It, therefore, allows a good precision onmore » the nuclear activation yields of the produced radionuclides. The system allows high counting rates and online correction of the dead time. It also provides, online, a quick control of the experiment. Geant4 simulations are used at different steps of the data analysis to deduce, from the measured activities, the energy and angular distributions of the laser-induced particle beams. Two applications are presented to illustrate the characterization of electrons and protons.« less

The physics of solid-state neutron detector materials and geometries.

PubMed

Caruso, A N

2010-11-10

Detection of neutrons, at high total efficiency, with greater resolution in kinetic energy, time and/or real-space position, is fundamental to the advance of subfields within nuclear medicine, high-energy physics, non-proliferation of special nuclear materials, astrophysics, structural biology and chemistry, magnetism and nuclear energy. Clever indirect-conversion geometries, interaction/transport calculations and modern processing methods for silicon and gallium arsenide allow for the realization of moderate- to high-efficiency neutron detectors as a result of low defect concentrations, tuned reaction product ranges, enhanced effective omnidirectional cross sections and reduced electron-hole pair recombination from more physically abrupt and electronically engineered interfaces. Conversely, semiconductors with high neutron cross sections and unique transduction mechanisms capable of achieving very high total efficiency are gaining greater recognition despite the relative immaturity of their growth, lithographic processing and electronic structure understanding. This review focuses on advances and challenges in charged-particle-based device geometries, materials and associated mechanisms for direct and indirect transduction of thermal to fast neutrons within the context of application. Calorimetry- and radioluminescence-based intermediate processes in the solid state are not included.

Solving the electron and electron-nuclear Schroedinger equations for the excited states of helium atom with the free iterative-complement-interaction method

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nakashima, Hiroyuki; Hijikata, Yuh; Nakatsuji, Hiroshi

2008-04-21

Very accurate variational calculations with the free iterative-complement-interaction (ICI) method for solving the Schroedinger equation were performed for the 1sNs singlet and triplet excited states of helium atom up to N=24. This is the first extensive applications of the free ICI method to the calculations of excited states to very high levels. We performed the calculations with the fixed-nucleus Hamiltonian and moving-nucleus Hamiltonian. The latter case is the Schroedinger equation for the electron-nuclear Hamiltonian and includes the quantum effect of nuclear motion. This solution corresponds to the nonrelativistic limit and reproduced the experimental values up to five decimal figures. Themore » small differences from the experimental values are not at all the theoretical errors but represent the physical effects that are not included in the present calculations, such as relativistic effect, quantum electrodynamic effect, and even the experimental errors. The present calculations constitute a small step toward the accurately predictive quantum chemistry.« less

Effect of geometrical configuration of radioactive sources on radiation intensity in beta-voltaic nuclear battery system: A preliminary result

DOE Office of Scientific and Technical Information (OSTI.GOV)

Basar, Khairul, E-mail: khbasar@fi.itb.ac.id; Riupassa, Robi D., E-mail: khbasar@fi.itb.ac.id; Bachtiar, Reza, E-mail: khbasar@fi.itb.ac.id

2014-01-01

It is known that one main problem in the application of beta-voltaic nuclear battery system is its low efficiency. The efficiency of the beta-voltaic nuclear battery system mainly depends on three aspects: source of radioactive radiation, interface between materials in the system and process of converting electron-hole pair to electric current in the semiconductor material. In this work, we show the effect of geometrical configuration of radioactive sources on radiation intensity of beta-voltaic nuclear battery system.

Nuclear magnetic biosignatures in the carbonaceous matter of ancient cherts: comparison with carbonaceous meteorites.

PubMed

Gourier, Didier; Delpoux, Olivier; Binet, Laurent; Vezin, Hervé

2013-10-01

The search for organic biosignatures is motivated by the hope of understanding the conditions of emergence of life on Earth and the perspective of finding traces of extinct life in martian sediments. Paramagnetic radicals, which exist naturally in amorphous carbonaceous matter fossilized in Precambrian cherts, were used as local structural probes and studied by electron paramagnetic resonance (EPR) spectroscopy. The nuclear magnetic resonance transitions of elements inside and around these radicals were detected by monitoring the nuclear modulations of electron spin echo in pulsed EPR. We found that the carbonaceous matter of fossilized microorganisms with age up to 3.5 billion years gives specific nuclear magnetic signatures of hydrogen (¹H), carbon (¹³C), and phosphorus (³¹P) nuclei. We observed that these potential biosignatures of extinct life are found neither in the carbonaceous matter of carbonaceous meteorites (4.56 billion years), the most ancient objects of the Solar System, nor in any carbonaceous matter resulting from carbonization of organic and bioorganic precursors. These results indicate that these nuclear signatures are sensitive to thermal episodes and can be used for Archean cherts with metamorphism not higher than the greenschist facies.

Transport Properties in Nuclear Pasta

NASA Astrophysics Data System (ADS)

Caplan, Matthew; Horowitz, Charles; Berry, Donald; da Silva Schneider, Andre

2016-09-01

At the base of the inner crust of neutron stars, where matter is near the nuclear saturation density, nuclear matter arranges itself into exotic shapes such as cylinders and slabs, called `nuclear pasta.' Lepton scattering from these structures may govern the transport properties of the inner crust; electron scattering from protons in the pasta determines the thermal and electrical conductivity, as well as the shear viscosity of the inner crust. These properties may vary in pasta structures which form at various densities, temperatures, and proton fractions. In this talk, we report on our calculations of lepton transport in nuclear pasta and the implication for neutron star observables.

Calculation of electron and isotopes dose point kernels with fluka Monte Carlo code for dosimetry in nuclear medicine therapy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Botta, F; Di Dia, A; Pedroli, G

The calculation of patient-specific dose distribution can be achieved by Monte Carlo simulations or by analytical methods. In this study, fluka Monte Carlo code has been considered for use in nuclear medicine dosimetry. Up to now, fluka has mainly been dedicated to other fields, namely high energy physics, radiation protection, and hadrontherapy. When first employing a Monte Carlo code for nuclear medicine dosimetry, its results concerning electron transport at energies typical of nuclear medicine applications need to be verified. This is commonly achieved by means of calculation of a representative parameter and comparison with reference data. Dose point kernel (DPK),more » quantifying the energy deposition all around a point isotropic source, is often the one.Methods: fluka DPKs have been calculated in both water and compact bone for monoenergetic electrons (10–3 MeV) and for beta emitting isotopes commonly used for therapy (89Sr, 90Y, 131I, 153Sm, 177Lu, 186Re, and 188Re). Point isotropic sources have been simulated at the center of a water (bone) sphere, and deposed energy has been tallied in concentric shells. fluka outcomes have been compared to penelope v.2008 results, calculated in this study as well. Moreover, in case of monoenergetic electrons in water, comparison with the data from the literature (etran, geant4, mcnpx) has been done. Maximum percentage differences within 0.8·RCSDA and 0.9·RCSDA for monoenergetic electrons (RCSDA being the continuous slowing down approximation range) and within 0.8·X90 and 0.9·X90 for isotopes (X90 being the radius of the sphere in which 90% of the emitted energy is absorbed) have been computed, together with the average percentage difference within 0.9·RCSDA and 0.9·X90 for electrons and isotopes, respectively.Results: Concerning monoenergetic electrons, within 0.8·RCSDA (where 90%–97% of the particle energy is deposed), fluka and penelope agree mostly within 7%, except for 10 and 20 keV electrons (12% in water, 8.3% in bone). The discrepancies between fluka and the other codes are of the same order of magnitude than those observed when comparing the other codes among them, which can be referred to the different simulation algorithms. When considering the beta spectra, discrepancies notably reduce: within 0.9·X90, fluka and penelope differ for less than 1% in water and less than 2% in bone with any of the isotopes here considered. Complete data of fluka DPKs are given as Supplementary Material as a tool to perform dosimetry by analytical point kernel convolution.Conclusions: fluka provides reliable results when transporting electrons in the low energy range, proving to be an adequate tool for nuclear medicine dosimetry.« less

Optical pumping of the electronic and nuclear spin of single charge-tunable quantum dots.

PubMed

Bracker, A S; Stinaff, E A; Gammon, D; Ware, M E; Tischler, J G; Shabaev, A; Efros, Al L; Park, D; Gershoni, D; Korenev, V L; Merkulov, I A

2005-02-04

We present a comprehensive examination of optical pumping of spins in individual GaAs quantum dots as we change the net charge from positive to neutral to negative with a charge-tunable heterostructure. Negative photoluminescence polarization memory is enhanced by optical pumping of ground state electron spins, which we prove with the first measurements of the Hanle effect on an individual quantum dot. We use the Overhauser effect in a high longitudinal magnetic field to demonstrate efficient optical pumping of nuclear spins for all three charge states of the quantum dot.

Optical Pumping of the Electronic and Nuclear Spin of Single Charge-Tunable Quantum Dots

NASA Astrophysics Data System (ADS)

Bracker, A. S.; Stinaff, E. A.; Gammon, D.; Ware, M. E.; Tischler, J. G.; Shabaev, A.; Efros, Al. L.; Park, D.; Gershoni, D.; Korenev, V. L.; Merkulov, I. A.

2005-02-01

We present a comprehensive examination of optical pumping of spins in individual GaAs quantum dots as we change the net charge from positive to neutral to negative with a charge-tunable heterostructure. Negative photoluminescence polarization memory is enhanced by optical pumping of ground state electron spins, which we prove with the first measurements of the Hanle effect on an individual quantum dot. We use the Overhauser effect in a high longitudinal magnetic field to demonstrate efficient optical pumping of nuclear spins for all three charge states of the quantum dot.

Electron and Nuclear Spin Interactions in the Optical Spectra of Single GaAs Quantum Dots

DTIC Science & Technology

2001-05-28

VOLUME 86, NUMBER 22 P H Y S I C A L R E V I E W L E T T E R S 28 MAY 2001 5 Electron and Nuclear Spin Interactions in the Optical Spectra of Single...GaAs Quantum Dots D. Gammon, Al. L. Efros, T. A. Kennedy, M. Rosen, D. S . Katzer, and D. Park Naval Research Laboratory, Washington, D.C. 20375 S . W...Brown NIST, Gaithersburg, Maryland V. L. Korenev and I. A. Merkulov A. F. Ioffe Institute, St. Petersburg, Russia (Received 18 December 2000) Fine and

5 CFR 850.401 - Electronic notice of coverage determination.

Code of Federal Regulations, 2014 CFR

2014-01-01

... determination. 850.401 Section 850.401 Administrative Personnel OFFICE OF PERSONNEL MANAGEMENT (CONTINUED) CIVIL SERVICE REGULATIONS (CONTINUED) ELECTRONIC RETIREMENT PROCESSING Submission of Law Enforcement... Service Center must include in the notice of law enforcement officer, firefighter, or nuclear materials...

Structural and electronic phase transitions of ThS 2 from first-principles calculations

DOE PAGES

Guo, Yongliang; Wang, Changying; Qiu, Wujie; ...

2016-10-07

Performed a systematic study using first-principles methods of the pressure-induced structural and electronic phase transitions in ThS 2, which may play an important role in the next generation nuclear energy fuel technology.

Constraints on the large-x d/u ratio from electron--nucleus scattering at x>1

DOE Office of Scientific and Technical Information (OSTI.GOV)

O. Hen, A. Accardi, W. Melnitchouk and E. Piasetzky

2011-12-01

Recently the ratio of neutron to proton structure functions F{sub 2}{sup n}/F{sub 2}{sup p} was extracted from a phenomenological correlation between the strength of the nuclear EMC effect and inclusive electron-nucleus cross section ratios at x > 1. Within conventional models of nuclear smearing, this 'in-medium correction' (IMC) extraction constrains the size of nuclear effects in the deuteron structure functions, from which the neutron structure function F{sub 2}{sup n} is usually extracted. The IMC data determine the resulting proton d/u quark distribution ratio, extrapolated to x = 1, to be 0.23 {+-} 0.09 with a 90% confidence level. This ismore » well below the SU(6) symmetry limit of 1/2 and significantly above the scalar diquark dominance limit of 0.« less

Communication: Quantum molecular dynamics simulation of liquid para-hydrogen by nuclear and electron wave packet approach.

PubMed

Hyeon-Deuk, Kim; Ando, Koji

2014-05-07

Liquid para-hydrogen (p-H2) is a typical quantum liquid which exhibits strong nuclear quantum effects (NQEs) and thus anomalous static and dynamic properties. We propose a real-time simulation method of wave packet (WP) molecular dynamics (MD) based on non-empirical intra- and inter-molecular interactions of non-spherical hydrogen molecules, and apply it to condensed-phase p-H2. The NQEs, such as WP delocalization and zero-point energy, are taken into account without perturbative expansion of prepared model potential functions but with explicit interactions between nuclear and electron WPs. The developed MD simulation for 100 ps with 1200 hydrogen molecules is realized at feasible computational cost, by which basic experimental properties of p-H2 liquid such as radial distribution functions, self-diffusion coefficients, and shear viscosities are all well reproduced.

Role of Quantum Vibrations on the Structural, Electronic, and Optical Properties of 9-Methylguanine.

PubMed

Law, Yu Kay; Hassanali, Ali A

2015-11-05

In this work, we report theoretical predictions of the UV-absorption spectra of 9-methylguanine using time dependent density functional theory (TDDFT). Molecular dynamics simulations of the hydrated DNA base are peformed using an empirical force field, Born-Oppenheimer ab initio molecular dynamics (AIMD), and finally path-integral AIMD to understand the role of the underlying electronic potential, solvation, and nuclear quantum vibrations on the absorption spectra. It is shown that the conformational distributions, including hydrogen bonding interactions, are perturbed by the inclusion of nuclear quantum effects, leading to significant changes in the total charge and dipole fluctuations of the DNA base. The calculated absorption spectra using the different sampling protocols shows that the inclusion of nuclear quantum effects causes a significant broadening and red shift of the spectra bringing it into closer agreement with experiments.

The spin-temperature theory of dynamic nuclear polarization and nuclear spin-lattice relaxation

NASA Technical Reports Server (NTRS)

Byvik, C. E.; Wollan, D. S.

1974-01-01

A detailed derivation of the equations governing dynamic nuclear polarization (DNP) and nuclear spin lattice relaxation by use of the spin temperature theory has been carried to second order in a perturbation expansion of the density matrix. Nuclear spin diffusion in the rapid diffusion limit and the effects of the coupling of the electron dipole-dipole reservoir (EDDR) with the nuclear spins are incorporated. The complete expression for the dynamic nuclear polarization has been derived and then examined in detail for the limit of well resolved solid effect transitions. Exactly at the solid effect transition peaks, the conventional solid-effect DNP results are obtained, but with EDDR effects on the nuclear relaxation and DNP leakage factor included. Explicit EDDR contributions to DNP are discussed, and a new DNP effect is predicted.

Nuclear fragmentation studies for microelectronic application

NASA Technical Reports Server (NTRS)

Ngo, Duc M.; Wilson, John W.; Buck, Warren W.; Fogarty, Thomas N.

1989-01-01

A formalism for target fragment transport is presented with application to energy loss spectra in thin silicon devices. Predicted results are compared to experiments with the surface barrier detectors of McNulty et al. The intranuclear cascade nuclear reaction model does not predict the McNulty experimental data for the highest energy events. A semiempirical nuclear cross section gives an adequate explanation of McNulty's experiments. Application of the formalism to specific electronic devices is discussed.

Parvoviral nuclear import: bypassing the host nuclear-transport machinery.

PubMed

Cohen, Sarah; Behzad, Ali R; Carroll, Jeffrey B; Panté, Nelly

2006-11-01

The parvovirus Minute virus of mice (MVM) is a small DNA virus that replicates in the nucleus of its host cells. However, very little is known about the mechanisms underlying parvovirus' nuclear import. Recently, it was found that microinjection of MVM into the cytoplasm of Xenopus oocytes causes damage to the nuclear envelope (NE), suggesting that the nuclear-import mechanism of MVM involves disruption of the NE and import through the resulting breaks. Here, fluorescence microscopy and electron microscopy were used to examine the effect of MVM on host-cell nuclear structure during infection of mouse fibroblast cells. It was found that MVM caused dramatic changes in nuclear shape and morphology, alterations of nuclear lamin immunostaining and breaks in the NE of infected cells. Thus, it seems that the unusual nuclear-import mechanism observed in Xenopus oocytes is in fact used by MVM during infection of host cells.

10 CFR 950.25 - Calculation of covered costs.

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2013-01-01

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Code of Federal Regulations, 2010 CFR

2010-01-01

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2011-01-01

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2014-01-01

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2012-01-01

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Effects of nuclear spins on the transport properties of the edge of two-dimensional topological insulators

NASA Astrophysics Data System (ADS)

Hsu, Chen-Hsuan; Stano, Peter; Klinovaja, Jelena; Loss, Daniel

2018-03-01

The electrons in the edge channels of two-dimensional topological insulators can be described as a helical Tomonaga-Luttinger liquid. They couple to nuclear spins embedded in the host materials through the hyperfine interaction, and are therefore subject to elastic spin-flip backscattering on the nuclear spins. We investigate the nuclear-spin-induced edge resistance due to such backscattering by performing a renormalization-group analysis. Remarkably, the effect of this backscattering mechanism is stronger in a helical edge than in nonhelical channels, which are believed to be present in the trivial regime of InAs/GaSb quantum wells. In a system with sufficiently long edges, the disordered nuclear spins lead to an edge resistance which grows exponentially upon lowering the temperature. On the other hand, electrons from the edge states mediate an anisotropic Ruderman-Kittel-Kasuya-Yosida nuclear spin-spin interaction, which induces a spiral nuclear spin order below the transition temperature. We discuss the features of the spiral order, as well as its experimental signatures. In the ordered phase, we identify two backscattering mechanisms, due to charge impurities and magnons. The backscattering on charge impurities is allowed by the internally generated magnetic field, and leads to an Anderson-type localization of the edge states. The magnon-mediated backscattering results in a power-law resistance, which is suppressed at zero temperature. Overall, we find that in a sufficiently long edge the nuclear spins, whether ordered or not, suppress the edge conductance to zero as the temperature approaches zero.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Riemer, R.L.

The Panel on Basic Nuclear Data Compilations believes that it is important to provide the user with an evaluated nuclear database of the highest quality, dependability, and currency. It is also important that the evaluated nuclear data are easily accessible to the user. In the past the panel concentrated its concern on the cycle time for the publication of A-chain evaluations. However, the panel now recognizes that publication cycle time is no longer the appropriate goal. Sometime in the future, publication of the evaluated A-chains will evolve from the present hard-copy Nuclear Data Sheets on library shelves to purely electronicmore » publication, with the advent of universal access to terminals and the nuclear databases. Therefore, the literature cut-off date in the Evaluated Nuclear Structure Data File (ENSDF) is rapidly becoming the only important measure of the currency of an evaluated A-chain. Also, it has become exceedingly important to ensure that access to the databases is as user-friendly as possible and to enable electronic publication of the evaluated data files. Considerable progress has been made in these areas: use of the on-line systems has almost doubled in the past year, and there has been initial development of tools for electronic evaluation, publication, and dissemination. Currently, the nuclear data effort is in transition between the traditional and future methods of dissemination of the evaluated data. Also, many of the factors that adversely affect the publication cycle time simultaneously affect the currency of the evaluated nuclear database. Therefore, the panel continues to examine factors that can influence cycle time: the number of evaluators, the frequency with which an evaluation can be updated, the review of the evaluation, and the production of the evaluation, which currently exists as a hard-copy issue of Nuclear Data Sheets.« less

Need for reaction coordinates to ensure a complete basis set in an adiabatic representation of ion-atom collisions

NASA Astrophysics Data System (ADS)

Rabli, Djamal; McCarroll, Ronald

2018-02-01

This review surveys the different theoretical approaches, used to describe inelastic and rearrangement processes in collisions involving atoms and ions. For a range of energies from a few meV up to about 1 keV, the adiabatic representation is expected to be valid and under these conditions, inelastic and rearrangement processes take place via a network of avoided crossings of the potential energy curves of the collision system. In general, such avoided crossings are finite in number. The non-adiabatic coupling, due to the breakdown of the Born-Oppenheimer separation of the electronic and nuclear variables, depends on the ratio of the electron mass to the nuclear mass terms in the total Hamiltonian. By limiting terms in the total Hamiltonian correct to first order in the electron to nuclear mass ratio, a system of reaction coordinates is found which allows for a correct description of both inelastic channels. The connection between the use of reaction coordinates in the quantum description and the electron translation factors of the impact parameter approach is established. A major result is that only when reaction coordinates are used, is it possible to introduce the notion of a minimal basis set. Such a set must include all avoided crossings including both radial coupling and long range Coriolis coupling. But, only when reactive coordinates are used, can such a basis set be considered as complete. In particular when the centre of nuclear mass is used as centre of coordinates, rather than the correct reaction coordinates, it is shown that erroneous results are obtained. A few results to illustrate this important point are presented: one concerning a simple two-state Landau-Zener type avoided crossing, the other concerning a network of multiple crossings in a typical electron capture process involving a highly charged ion with a neutral atom.

Suppression of Zeeman gradients by nuclear polarization in double quantum dots.

PubMed

Frolov, S M; Danon, J; Nadj-Perge, S; Zuo, K; van Tilburg, J W W; Pribiag, V S; van den Berg, J W G; Bakkers, E P A M; Kouwenhoven, L P

2012-12-07

We use electric dipole spin resonance to measure dynamic nuclear polarization in InAs nanowire quantum dots. The resonance shifts in frequency when the system transitions between metastable high and low current states, indicating the presence of nuclear polarization. We propose that the low and the high current states correspond to different total Zeeman energy gradients between the two quantum dots. In the low current state, dynamic nuclear polarization efficiently compensates the Zeeman gradient due to the g-factor mismatch, resulting in a suppressed total Zeeman gradient. We present a theoretical model of electron-nuclear feedback that demonstrates a fixed point in nuclear polarization for nearly equal Zeeman splittings in the two dots and predicts a narrowed hyperfine gradient distribution.

Self-sustaining dynamical nuclear polarization oscillations in quantum dots.

PubMed

Rudner, M S; Levitov, L S

2013-02-22

Early experiments on spin-blockaded double quantum dots revealed robust, large-amplitude current oscillations in the presence of a static (dc) source-drain bias. Despite experimental evidence implicating dynamical nuclear polarization, the mechanism has remained a mystery. Here we introduce a minimal albeit realistic model of coupled electron and nuclear spin dynamics which supports self-sustained oscillations. Our mechanism relies on a nuclear spin analog of the tunneling magnetoresistance phenomenon (spin-dependent tunneling rates in the presence of an inhomogeneous Overhauser field) and nuclear spin diffusion, which governs dynamics of the spatial profile of nuclear polarization. The proposed framework naturally explains the differences in phenomenology between vertical and lateral quantum dot structures as well as the extremely long oscillation periods.

Electrons in a closed galaxy model of cosmic rays

NASA Technical Reports Server (NTRS)

Ramaty, R.; Westergaard, N. J.

1976-01-01

The consistency of positrons and electrons was studied using a propagation model in which the cosmic rays are stopped by nuclear collisions or energy losses before they can escape from the galaxy (the closed-galaxy model). The fact that no inconsistency was found between the predictions and the data implies that the protons which produce the positrons by nuclear reactions could have their origin in a large number of distant sources, as opposed to the heavier nuclei which in this model come from a more limited set of sources. The closed-galaxy model predicts steep electron and positron spectra at high energies. None of these are inconsistent with present measurements; but future measurements of the spectrum of high-energy positrons could provide a definite test for the model. The closed-galaxy model also predicts that the interstellar electron intensity below a few GeV is larger than that implied by other models. The consequence of this result is that electron bremsstrahlung is responsible for about 50% of the galactic gamma-ray emission at photon energies greater than 100 MeV.

Coupled forward-backward trajectory approach for nonequilibrium electron-ion dynamics

NASA Astrophysics Data System (ADS)

Sato, Shunsuke A.; Kelly, Aaron; Rubio, Angel

2018-04-01

We introduce a simple ansatz for the wave function of a many-body system based on coupled forward and backward propagating semiclassical trajectories. This method is primarily aimed at, but not limited to, treating nonequilibrium dynamics in electron-phonon systems. The time evolution of the system is obtained from the Euler-Lagrange variational principle, and we show that this ansatz yields Ehrenfest mean-field theory in the limit that the forward and backward trajectories are orthogonal, and in the limit that they coalesce. We investigate accuracy and performance of this method by simulating electronic relaxation in the spin-boson model and the Holstein model. Although this method involves only pairs of semiclassical trajectories, it shows a substantial improvement over mean-field theory, capturing quantum coherence of nuclear dynamics as well as electron-nuclear correlations. This improvement is particularly evident in nonadiabatic systems, where the accuracy of this coupled trajectory method extends well beyond the perturbative electron-phonon coupling regime. This approach thus provides an attractive route forward to the ab initio description of relaxation processes, such as thermalization, in condensed phase systems.

Towards a practical Johnson noise thermometer for long-term measurements in harsh environments

DOE Office of Scientific and Technical Information (OSTI.GOV)

Greenen, Adam; Pearce, Jonathan; Cruickshank, David

The impact of mechanical and chemical changes in conventional sensors such as thermocouples and resistance thermometers can be avoided by instead using temperature sensors based on fundamental thermometry. A prime example of this is Johnson noise thermometry, which is based on measurement of the fluctuations in the voltage of a resistor arising from thermal motion of charge carriers - i.e. the 'Johnson noise'. A Johnson noise thermometer never needs calibration and is insensitive to the condition of the sensor material. It is therefore ideally suited to long-term temperature measurements in harsh environments, such as nuclear reactor coolant circuits, in-pile measurements,more » nuclear waste management and storage, and severe accident monitoring. There have been a number of previous attempts to develop a Johnson noise thermometer for the nuclear industry, but none have reached commercial exploitation because of technical problems in practical implementation. The main challenge is to extract the tiny Johnson noise signal from ambient electrical noise influences, both from the internal amplification electronics, and from external electrical noise sources. Recent advances in electronics technology and digital signal processing techniques have opened up new possibilities for developing a viable, practical Johnson noise thermometer. We describe a project funded by the UK Technology Strategy Board (now Innovate UK) 'Developing the nuclear supply chain' call, currently underway, to develop a practical Johnson noise thermometer that makes use of innovative electronics for ultralow noise amplification and signal processing. The new electronics technology has the potential to help overcome the problems encountered with previous attempts at constructing a practical Johnson noise thermometer. An outline of the new developments is presented, together with an overview of the current status of the project. (authors)« less

Revisiting the Electronic Structure of FeS Monomers Using ab Initio Ligand Field Theory and the Angular Overlap Model.

PubMed

Chilkuri, Vijay Gopal; DeBeer, Serena; Neese, Frank

2017-09-05

Iron-sulfur (FeS) proteins are universally found in nature with actives sites ranging in complexity from simple monomers to multinuclear sites from two up to eight iron atoms. These sites include mononuclear (rubredoxins), dinuclear (ferredoxins and Rieske proteins), trinuclear (e.g., hydrogenases), and tetranuclear (various ferredoxins and high-potential iron-sulfur proteins). The electronic structure of the higher-nuclearity clusters is inherently extremely complex. Hence, it is reasonable to take a bottom-up approach in which clusters of increasing nuclearity are analyzed in terms of the properties of their lower nuclearity constituents. In the present study, the first step is taken by an in-depth analysis of mononuclear FeS systems. Two different FeS molecules with phenylthiolate and methylthiolate as ligands are studied in their oxidized and reduced forms using modern wave function-based ab initio methods. The ab initio electronic spectra and wave function are presented and analyzed in detail. The very intricate electronic structure-geometry relationship in these systems is analyzed using ab initio ligand field theory (AILFT) in conjunction with the angular overlap model (AOM) parametrization scheme. The simple AOM model is used to explain the effect of geometric variations on the electronic structure. Through a comparison of the ab initio computed UV-vis absorption spectra and the available experimental spectra, the low-energy part of the many-particle spectrum is carefully analyzed. We show ab initio calculated magnetic circular dichroism spectra and present a comparison with the experimental spectrum. Finally, AILFT parameters and the ab initio spectra are compared with those obtained experimentally to understand the effect of the increased covalency of the thiolate ligands on the electronic structure of FeS monomers.

Simultaneous analytical optimization of variational parameters in Gaussian-type functions with full configuration interaction of multicomponent molecular orbital method by elimination of translational and rotational motions: application to isotopomers of the hydrogen molecule.

PubMed

Ishimoto, Takayoshi; Tachikawa, Masanori; Nagashima, Umpei

2008-04-28

We have extended the multicomponent molecular orbital (MCMO) method to the full-configuration interaction (full-CI) fully variational molecular orbital method by elimination of translational and rotational motion components from total Hamiltonian. In the MCMO scheme, the quantum effects of protons and deuterons as well as electrons can be directly taken into account. All variational parameters in the full-CI scheme, i.e., exponents and centers (alpha and R) in the Gaussian-type function (GTF) basis set as well as the CI coefficients, are simultaneously optimized by using their analytical gradients. The total energy of the H(2) molecule calculated using the electronic [6s3p2d1f] and nuclear [1s1p1d1f] GTFs is -1.161 726 hartree, which can be compared to the energy of -1.164 025 hartree reported using a 512 term-explicitly correlated GTF calculation. Although the d- and f-type nuclear GTFs contribute to the improvement of energy convergence, the convergence of electron-nucleus correlation energy is slower than that of electron-electron one. The nuclear wave functions are delocalized due to the electron-nucleus correlation effect compared to the result of Hartree-Fock level of MCMO method. In addition, the average internuclear distances of all diatomic molecules are within 0.001 A of the previously reported experimental results. The dipole moment of the HD molecule estimated by our method is 8.4 x 10(-4) D, which is in excellent agreement with the experimental result of (8-10) x 10(-4) D.

Electrical detection of proton-spin motion in a polymer device at room temperature

NASA Astrophysics Data System (ADS)

Boehme, Christoph

With the emergence of spintronics concepts based on organic semiconductors there has been renewed interest in the role of both, electron as well as nuclear spin states for the magneto-optoelectronic properties of these materials. In spite of decades of research on these molecular systems, there is still much need for an understanding of some of the fundamental properties of spin-controlled charge carrier transport and recombination processes. This presentation focuses on mechanisms that allow proton spin states to influence electronic transition rates in organic semiconductors. Remarkably, even at low-magnetic field conditions and room temperature, nuclear spin states with energy splittings orders of magnitude below thermal energies are able to influence observables like magnetoresistance and fluorescence. While proton spins couple to charge carrier spins via hyperfine interaction, there has been considerable debate about the nature of the electronic processes that are highly susceptible to these weak hyperfine fields. Here, experiments are presented which show how the magnetic resonant manipulation of electron and nuclear spin states in a π-conjugated polymer device causes changes of the device current. The experiments confirm the extraordinary sensitivity of electronic transitions to very weak magnetic field changes and underscore the potential significance of spin-selection rules for highly sensitive absolute magnetic fields sensor concepts. However, the relevance of these magnetic-field sensitive spin-dependent electron transitions is not just limited to semiconductor materials but also radical pair chemistry and even avian magnetoreceptors This work was supported by the US Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering under Award #DE-SC0000909. The Utah NSF - MRSEC program #DMR 1121252 is acknowledged for instrumentation support.

Low-temperature dynamic nuclear polarization at 9.4 T with a 30 mW microwave source.

PubMed

Thurber, Kent R; Yau, Wai-Ming; Tycko, Robert

2010-06-01

Dynamic nuclear polarization (DNP) can provide large signal enhancements in nuclear magnetic resonance (NMR) by transfer of polarization from electron spins to nuclear spins. We discuss several aspects of DNP experiments at 9.4 T (400 MHz resonant frequency for (1)H, 264 GHz for electron spins in organic radicals) in the 7-80K temperature range, using a 30 mW, frequency-tunable microwave source and a quasi-optical microwave bridge for polarization control and low-loss microwave transmission. In experiments on frozen glycerol/water doped with nitroxide radicals, DNP signal enhancements up to a factor of 80 are observed (relative to (1)H NMR signals with thermal equilibrium spin polarization). The largest sensitivity enhancements are observed with a new triradical dopant, DOTOPA-TEMPO. Field modulation with a 10 G root-mean-squared amplitude during DNP increases the nuclear spin polarizations by up to 135%. Dependencies of (1)H NMR signal amplitudes, nuclear spin relaxation times, and DNP build-up times on the dopant and its concentration, temperature, microwave power, and modulation frequency are reported and discussed. The benefits of low-temperature DNP can be dramatic: the (1)H spin polarization is increased approximately 1000-fold at 7 K with DNP, relative to thermal polarization at 80K. (c) 2010 Elsevier Inc. All rights reserved.

Calculation of electronic coupling matrix elements for ground and excited state electron transfer reactions: Comparison of the generalized Mulliken-Hush and block diagonalization methods

NASA Astrophysics Data System (ADS)

Cave, Robert J.; Newton, Marshall D.

1997-06-01

Two independent methods are presented for the nonperturbative calculation of the electronic coupling matrix element (Hab) for electron transfer reactions using ab initio electronic structure theory. The first is based on the generalized Mulliken-Hush (GMH) model, a multistate generalization of the Mulliken Hush formalism for the electronic coupling. The second is based on the block diagonalization (BD) approach of Cederbaum, Domcke, and co-workers. Detailed quantitative comparisons of the two methods are carried out based on results for (a) several states of the system Zn2OH2+ and (b) the low-lying states of the benzene-Cl atom complex and its contact ion pair. Generally good agreement between the two methods is obtained over a range of geometries. Either method can be applied at an arbitrary nuclear geometry and, as a result, may be used to test the validity of the Condon approximation. Examples of nonmonotonic behavior of the electronic coupling as a function of nuclear coordinates are observed for Zn2OH2+. Both methods also yield a natural definition of the effective distance (rDA) between donor (D) and acceptor (A) sites, in contrast to earlier approaches which required independent estimates of rDA, generally based on molecular structure data.

Nuclear-size correction to the Lamb shift of one-electron atoms

NASA Astrophysics Data System (ADS)

Yerokhin, Vladimir A.

2011-01-01

The nuclear-size effect on the one-loop self-energy and vacuum polarization is evaluated for the 1s, 2s, 3s, 2p1/2, and 2p3/2 states of hydrogen-like ions. The calculation is performed to all orders in the nuclear binding strength parameter Zα. Detailed comparison is made with previous all-order calculations and calculations based on the expansion in the parameter Zα. Extrapolation of the all-order numerical results obtained toward Z=1 provides results for the radiative nuclear-size effect on the hydrogen Lamb shift.

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2010-10-25

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Using Light to Prepare and Probe an Electron Spin in a Quantum Dot

DTIC Science & Technology

2005-01-01

A. Shabaev, A.L. Efros, D. Park, D. Gershoni, V.L. Korenev , and I.A. Merkulov, “Optical Pumping of the Electronic and Nuclear Spin in Single Charge-tunable Quantum Dots,” Phys. Rev. Lett. 94, 047402 (2005). ´

10 CFR 2.302 - Filing of documents.

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2012-01-01

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2011-01-01

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Probing Low-Mass Vector Bosons with Parity Nonconservation and Nuclear Anapole Moment Measurements in Atoms and Molecules

NASA Astrophysics Data System (ADS)

Dzuba, V. A.; Flambaum, V. V.; Stadnik, Y. V.

2017-12-01

In the presence of P -violating interactions, the exchange of vector bosons between electrons and nucleons induces parity-nonconserving (PNC) effects in atoms and molecules, while the exchange of vector bosons between nucleons induces anapole moments of nuclei. We perform calculations of such vector-mediated PNC effects in Cs, Ba+ , Yb, Tl, Fr, and Ra+ using the same relativistic many-body approaches as in earlier calculations of standard-model PNC effects, but with the long-range operator of the weak interaction. We calculate nuclear anapole moments due to vector-boson exchange using a simple nuclear model. From measured and predicted (within the standard model) values for the PNC amplitudes in Cs, Yb, and Tl, as well as the nuclear anapole moment of 133Cs, we constrain the P -violating vector-pseudovector nucleon-electron and nucleon-proton interactions mediated by a generic vector boson of arbitrary mass. Our limits improve on existing bounds from other experiments by many orders of magnitude over a very large range of vector-boson masses.

Resonance-inclined optical nuclear spin polarization of liquids in diamond structures

NASA Astrophysics Data System (ADS)

Chen, Q.; Schwarz, I.; Jelezko, F.; Retzker, A.; Plenio, M. B.

2016-02-01

Dynamic nuclear polarization (DNP) of molecules in a solution at room temperature has the potential to revolutionize nuclear magnetic resonance spectroscopy and imaging. The prevalent methods for achieving DNP in solutions are typically most effective in the regime of small interaction correlation times between the electron and nuclear spins, limiting the size of accessible molecules. To solve this limitation, we design a mechanism for DNP in the liquid phase that is applicable for large interaction correlation times. Importantly, while this mechanism makes use of a resonance condition similar to solid-state DNP, the polarization transfer is robust to a relatively large detuning from the resonance due to molecular motion. We combine this scheme with optically polarized nitrogen-vacancy (NV) center spins in nanodiamonds to design a setup that employs optical pumping and is therefore not limited by room temperature electron thermal polarization. We illustrate numerically the effectiveness of the model in a flow cell containing nanodiamonds immobilized in a hydrogel, polarizing flowing water molecules 4700-fold above thermal polarization in a magnetic field of 0.35 T, in volumes detectable by current NMR scanners.

Nuclear Spin Dependent Parity Violation in Diatomic Molecules

NASA Astrophysics Data System (ADS)

Cahn, Sidney; Altuntas, Emine; Ammon, Jeffrey; Demille, David

2015-10-01

Nuclear spin-dependent parity violation (NSD-PV) effects arise from the exchange of the Z0 boson between electrons and the nucleus and from the interaction of electrons with the nuclear anapole moment, a parity-odd magnetic moment. The anapole moment grows as A2/3 of the nucleus,while the Z0 coupling is independent of A. We study NSD-PV effects using diatomic molecules, where signals are dramatically amplified by bringing rotational levels of opposite parity close to degeneracy in a strong magnetic field. Using a Stark-interference technique, we measure the NSD-PV interaction matrix element. We present results that demonstrate statistical sensitivity to NSD-PV effects surpassing that of any previous atomic parity violation measurement, using the test system 138Ba19F. We also discuss improvements on investigations of systematics due to non-reversing stray E-fields, Enr together with B-field inhomogeneities, and short-term prospects for measuring the nuclear anapole moment of 137Ba. In the long term, our technique is sufficiently general and sensitive to enable measurements across a broad range of nuclei.

Electron Accelerator Shielding Design of KIPT Neutron Source Facility

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhong, Zhaopeng; Gohar, Yousry

The Argonne National Laboratory of the United States and the Kharkov Institute of Physics and Technology of the Ukraine have been collaborating on the design, development and construction of a neutron source facility at Kharkov Institute of Physics and Technology utilizing an electron-accelerator-driven subcritical assembly. The electron beam power is 100 kW using 100-MeV electrons. The facility was designed to perform basic and applied nuclear research, produce medical isotopes, and train nuclear specialists. The biological shield of the accelerator building was designed to reduce the biological dose to less than 5.0e-03 mSv/h during operation. The main source of the biologicalmore » dose for the accelerator building is the photons and neutrons generated from different interactions of leaked electrons from the electron gun and the accelerator sections with the surrounding components and materials. The Monte Carlo N-particle extended code (MCNPX) was used for the shielding calculations because of its capability to perform electron-, photon-, and neutron-coupled transport simulations. The photon dose was tallied using the MCNPX calculation, starting with the leaked electrons. However, it is difficult to accurately tally the neutron dose directly from the leaked electrons. The neutron yield per electron from the interactions with the surrounding components is very small, similar to 0.01 neutron for 100-MeV electron and even smaller for lower-energy electrons. This causes difficulties for the Monte Carlo analyses and consumes tremendous computation resources for tallying the neutron dose outside the shield boundary with an acceptable accuracy. To avoid these difficulties, the SOURCE and TALLYX user subroutines of MCNPX were utilized for this study. The generated neutrons were banked, together with all related parameters, for a subsequent MCNPX calculation to obtain the neutron dose. The weight windows variance reduction technique was also utilized for both neutron and photon dose calculations. Two shielding materials, heavy concrete and ordinary concrete, were considered for the shield design. The main goal is to maintain the total dose outside the shield boundary less than 5.0e-03 mSv/h during operation. The shield configuration and parameters of the accelerator building were determined and are presented in this paper. Copyright (C) 2016, Published by Elsevier Korea LLC on behalf of Korean Nuclear Society.« less

Upgrades at the Duke Free Electron Laser Laboratory

NASA Astrophysics Data System (ADS)

Howell, Calvin R.

2004-11-01

Major upgrades to the storage-ring based photon sources at the Duke Free Electron Laser Laboratory (DFELL) are underway. The photon sources at the DFELL are well suited for research in the areas of medicine, biophysics, accelerator physics, nuclear physics and material science. These upgrades, which will be completed by the summer 2006, will significantly enhance the capabilities of the ultraviolet (UV) free-electron laser (FEL) and the high intensity gamma-ray source (HIGS). The HIGS is a relatively new research facility at the DFELL that is operated jointly by the DFELL and the Triangle Universities Nuclear Laboratory. The gamma-ray beam is produced by Compton back scattering of the UV photons inside the FEL optical cavity off the circulating electrons in the storage ring. The gamma-ray beam is 100% polarized and its energy resolution is selected by collimation. The capabilities of the upgraded facility will be described, the status of the upgrades will be summarized, and the proposed first-generation research program at HIGS will be presented.

Correlative and integrated light and electron microscopy of in-resin GFP fluorescence, used to localise diacylglycerol in mammalian cells

PubMed Central

Peddie, Christopher J.; Blight, Ken; Wilson, Emma; Melia, Charlotte; Marrison, Jo; Carzaniga, Raffaella; Domart, Marie-Charlotte; O׳Toole, Peter; Larijani, Banafshe; Collinson, Lucy M.

2014-01-01

Fluorescence microscopy of GFP-tagged proteins is a fundamental tool in cell biology, but without seeing the structure of the surrounding cellular space, functional information can be lost. Here we present a protocol that preserves GFP and mCherry fluorescence in mammalian cells embedded in resin with electron contrast to reveal cellular ultrastructure. Ultrathin in-resin fluorescence (IRF) sections were imaged simultaneously for fluorescence and electron signals in an integrated light and scanning electron microscope. We show, for the first time, that GFP is stable and active in resin sections in vacuo. We applied our protocol to study the subcellular localisation of diacylglycerol (DAG), a modulator of membrane morphology and membrane dynamics in nuclear envelope assembly. We show that DAG is localised to the nuclear envelope, nucleoplasmic reticulum and curved tips of the Golgi apparatus. With these developments, we demonstrate that integrated imaging is maturing into a powerful tool for accurate molecular localisation to structure. PMID:24637200

An experience of electron beam (EB) irradiated gemstones in Malaysian nuclear agency

NASA Astrophysics Data System (ADS)

Idris, Sarada; Hairaldin, Siti Zulaiha; Tajau, Rida; Karim, Jamilah; Jusoh, Suhaimi; Ghazali, Zulkafli; Ahmad, Shamshad

2014-02-01

In Nuclear Malaysia, a study on gemstone irradiation using beta particle is conducted. The purpose of the study is to evaluate the gemstone colour enhancement by using different kind of precious and non-precious gemstones. By using irradiation technique, selected gemstones are exposed to highly ionizing radiation electron beam to knock off electrons to generate colour centres culminating in the introduction of deeper colours. The colour centres may be stable or unstable depending on the nature of colour centre produced. The colour change of irradiated stones were measured by HunterLab colour measurement. At 50 kGy, Topaz shows changes colour from colourless to golden. Meanwhile pearl shows changes from pale colour to grey. Kunzite and amethyst shows colour changes from colorless to green and pale colour to purple. Gamma survey meter measurement confirmed that irradiation treatment with 3 MeV electron beam machine does not render any activation that activate the gems to become radioactive.

An experience of electron beam (EB) irradiated gemstones in Malaysian nuclear agency

DOE Office of Scientific and Technical Information (OSTI.GOV)

Idris, Sarada, E-mail: sarada@nuclearmalaysia.gov.my; Hairaldin, Siti Zulaiha, E-mail: sarada@nuclearmalaysia.gov.my; Tajau, Rida, E-mail: sarada@nuclearmalaysia.gov.my

In Nuclear Malaysia, a study on gemstone irradiation using beta particle is conducted. The purpose of the study is to evaluate the gemstone colour enhancement by using different kind of precious and non-precious gemstones. By using irradiation technique, selected gemstones are exposed to highly ionizing radiation electron beam to knock off electrons to generate colour centres culminating in the introduction of deeper colours. The colour centres may be stable or unstable depending on the nature of colour centre produced. The colour change of irradiated stones were measured by HunterLab colour measurement. At 50 kGy, Topaz shows changes colour from colourlessmore » to golden. Meanwhile pearl shows changes from pale colour to grey. Kunzite and amethyst shows colour changes from colorless to green and pale colour to purple. Gamma survey meter measurement confirmed that irradiation treatment with 3 MeV electron beam machine does not render any activation that activate the gems to become radioactive.« less

1987 Nuclear Science Symposium, 34th, and 1987 Symposium on Nuclear Power Systems, 19th, San Francisco, CA, Oct. 21-23, 1987, Proceedings

NASA Astrophysics Data System (ADS)

Armantrout, Guy A.

1988-02-01

The present conference consideres topics in radiation detectors, advanced electronic circuits, data acquisition systems, radiation detector systems, high-energy and nuclear physics radiation detection, spaceborne instrumentation, health physics and environmental radiation detection, nuclear medicine, nuclear well logging, and nuclear reactor instrumentation. Attention is given to the response of scintillators to heavy ions, phonon-mediated particle detection, ballistic deficits in pulse-shaping amplifiers, fast analog ICs for particle physics, logic cell arrays, the CERN host interface, high performance data buses, a novel scintillating glass for high-energy physics applications, background events in microchannel plates, a tritium accelerator mass spectrometer, a novel positron tomograph, advancements in PET, cylindrical positron tomography, nuclear techniques in subsurface geology, REE borehole neutron activation, and a continuous tritium monitor for aqueous process streams.

Hyperpolarization of Frozen Hydrocarbon Gases by Dynamic Nuclear Polarization at 1.2 K.

PubMed

Vuichoud, Basile; Canet, Estel; Milani, Jonas; Bornet, Aurélien; Baudouin, David; Veyre, Laurent; Gajan, David; Emsley, Lyndon; Lesage, Anne; Copéret, Christophe; Thieuleux, Chloé; Bodenhausen, Geoffrey; Koptyug, Igor; Jannin, Sami

2016-08-18

We report a simple and general method for the hyperpolarization of condensed gases by dynamic nuclear polarization (DNP). The gases are adsorbed in the pores of structured mesoporous silica matrices known as HYPSOs (HYper Polarizing SOlids) that have paramagnetic polarizing agents covalently bound to the surface of the mesopores. DNP is performed at low temperatures and moderate magnetic fields (T = 1.2 K and B0 = 6.7 T). Frequency-modulated microwave irradiation is applied close to the electron spin resonance frequency (f = 188.3 GHz), and the electron spin polarization of the polarizing agents of HYPSO is transferred to the nuclear spins of the frozen gas. A proton polarization as high as P((1)H) = 70% can be obtained, which can be subsequently transferred to (13)C in natural abundance by cross-polarization, yielding up to P((13)C) = 27% for ethylene.

Non-Born-Oppenheimer self-consistent field calculations with cubic scaling

NASA Astrophysics Data System (ADS)

Moncada, Félix; Posada, Edwin; Flores-Moreno, Roberto; Reyes, Andrés

2012-05-01

An efficient nuclear molecular orbital methodology is presented. This approach combines an auxiliary density functional theory for electrons (ADFT) and a localized Hartree product (LHP) representation for the nuclear wave function. A series of test calculations conducted on small molecules exposed that energy and geometry errors introduced by the use of ADFT and LHP approximations are small and comparable to those obtained by the use of electronic ADFT. In addition, sample calculations performed on (HF)n chains disclosed that the combined ADFT/LHP approach scales cubically with system size (n) as opposed to the quartic scaling of Hartree-Fock/LHP or DFT/LHP methods. Even for medium size molecules the improved scaling of the ADFT/LHP approach resulted in speedups of at least 5x with respect to Hartree-Fock/LHP calculations. The ADFT/LHP method opens up the possibility of studying nuclear quantum effects on large size systems that otherwise would be impractical.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Akerib, DS; Alsum, S; Araújo, HM

The LUX experiment has performed searches for dark matter particles scattering elastically on xenon nuclei, leading to stringent upper limits on the nuclear scattering cross sections for dark matter. Here, for results derived frommore » $${1.4}\\times 10^{4}\\;\\mathrm{kg\\,days}$$ of target exposure in 2013, details of the calibration, event-reconstruction, modeling, and statistical tests that underlie the results are presented. Detector performance is characterized, including measured efficiencies, stability of response, position resolution, and discrimination between electron- and nuclear-recoil populations. Models are developed for the drift field, optical properties, background populations, the electron- and nuclear-recoil responses, and the absolute rate of low-energy background events. Innovations in the analysis include in situ measurement of the photomultipliers' response to xenon scintillation photons, verification of fiducial mass with a low-energy internal calibration source, and new empirical models for low-energy signal yield based on large-sample, in situ calibrations.« less

Quasielastic charged-current neutrino scattering in the scaling model with relativistic effective mass

NASA Astrophysics Data System (ADS)

Ruiz Simo, I.; Martinez-Consentino, V. L.; Amaro, J. E.; Ruiz Arriola, E.

2018-06-01

We use a recent scaling analysis of the quasielastic electron scattering data from C 12 to predict the quasielastic charge-changing neutrino scattering cross sections within an uncertainty band. We use a scaling function extracted from a selection of the (e ,e') cross section data, and an effective nucleon mass inspired by the relativistic mean-field model of nuclear matter. The corresponding superscaling analysis with relativistic effective mass (SuSAM*) describes a large amount of the electron data lying inside a phenomenological quasielastic band. The effective mass incorporates the enhancement of the transverse current produced by the relativistic mean field. The scaling function incorporates nuclear effects beyond the impulse approximation, in particular meson-exchange currents and short-range correlations producing tails in the scaling function. Besides its simplicity, this model describes the neutrino data as reasonably well as other more sophisticated nuclear models.

Highly selective detection of individual nuclear spins with rotary echo on an electron spin probe

PubMed Central

Mkhitaryan, V. V.; Jelezko, F.; Dobrovitski, V. V.

2015-01-01

We consider an electronic spin, such as a nitrogen-vacancy center in diamond, weakly coupled to a large number of nuclear spins, and subjected to the Rabi driving with a periodically alternating phase. We show that by switching the driving phase synchronously with the precession of a given nuclear spin, the interaction to this spin is selectively enhanced, while the rest of the bath remains decoupled. The enhancement is of resonant character. The key feature of the suggested scheme is that the width of the resonance is adjustable, and can be greatly decreased by increasing the driving strength. Thus, the resonance can be significantly narrowed, by a factor of 10–100 in comparison with the existing detection methods. Significant improvement in selectivity is explained analytically and confirmed by direct numerical many-spin simulations. The method can be applied to a wide range of solid-state systems. PMID:26497777

DOE Office of Scientific and Technical Information (OSTI.GOV)

Myllys, Markko; Ruokolainen, Visa; Aho, Vesa

Lytic infection with herpes simplex virus type 1 (HSV-1) induces profound modification of the cell nucleus including formation of a viral replication compartment and chromatin marginalization into the nuclear periphery. Here, we used three-dimensional soft X-ray tomography, combined with cryogenic fluorescence, confocal and electron microscopy, to analyse the transformation of peripheral chromatin during HSV-1 infection. Our data showed an increased presence of low-density gaps in the marginalized chromatin at late infection. Advanced data analysis indicated the formation of virus-nucleocapsid-sized (or wider) channels extending through the compacted chromatin of the host. Importantly, confocal and electron microscopy analysis showed that these gapsmore » frequently contained viral nucleocapsids. Our results demonstrated that HSV-1 infection induces the formation of channels penetrating the compacted layer of cellular chromatin and allowing for the passage of progeny viruses to the nuclear envelope, their site of nuclear egress.« less

Annual Conference on Nuclear and Space Radiation Effects, 19th, Las Vegas, NV, July 20-22, 1982, Proceedings

NASA Technical Reports Server (NTRS)

Long, D. M.

1982-01-01

The results of research concerning the effects of nuclear and space radiation are presented. Topics discussed include the basic mechanisms of nuclear and space radiation effects, radiation effects in devices, and radiation effects in microcircuits, including studies of radiation-induced paramagnetic defects in MOS structures, silicon solar cell damage from electrical overstress, radiation-induced charge dynamics in dielectrics, and the enhanced radiation effects on submicron narrow-channel NMOS. Also examined are topics in SGEMP/IEMP phenomena, hardness assurance and testing, energy deposition, desometry, and radiation transport, and single event phenomena. Among others, studies are presented concerning the limits to hardening electronic boxes to IEMP coupling, transient radiation screening of silicon devices using backside laser irradiation, the damage equivalence of electrons, protons, and gamma rays in MOS devices, and the single event upset sensitivity of low power Schottky devices.

Ab Initio Investigations of High-Pressure Melting of Dense Lithium

NASA Astrophysics Data System (ADS)

Clay, Raymond; Morales, Miguel; Bonev, Stanimir

Lithium at ambient conditions is the simplest alkali metal and exhibits textbook nearly-free electron behavior. As the density is increased, however, significant core/valence overlap leads to surprisingly complex chemistry. We have systematically investigated the phase diagram of lithium at pressures ranging between two and six million atmospheres. Through a combination of density functional theory based path-integral and classical molecular dynamics simulations, we have investigated the impact of both nuclear quantum effects and anharmonicity on the melting line and solid phase boundaries. We also investigate how the inclusion of nuclear quantum effects and approximations in the treatment of electronic exchange-correlation impact the robustness of previous predictions of tetrahedral clustering in dense liquid Li. Sandia National Laboratories is a multi-mission 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.

Theory of Nuclear Quadrupole Interactions in the Chemical Ferromagnet p-Cl-Ph-CH-N=TEMPO

NASA Astrophysics Data System (ADS)

Briere, Tina M.; Jeong, Junho; Sahoo, N.; Das, T. P.; Ohira, S.; Nishiyama, K.; Nagamine, K.

2002-03-01

The study(Junho Jeong et al., Physica B 289-290, 132 (2000).) of the magnetic hyperfine properties of chemical ferromagnets provides valuable information about the electronic spin distributions in the individual molecules. Insights into the electronic charge distributions and their anisotropy can be obtained from electric quadrupole interactions for the different nuclei in these systems. For this purpose we have studied the nuclear quadrupole interactions(T. P. Das and E. L. Hahn "Nuclear Quadrupole Resonance Spectroscopy", Academic Press Inc., New York, 1958.) for the 14^N nuclei in the NO group and the bridge nitrogen, the 17^O nucleus in the NO group and the 35^Cl nucleus in the p-Cl-Ph-CH-N=TEMPO system both by itself and in the presence of trapped μ and Mu. Comparison will be made between our results and available experimental quadrupole coupling constant (e^2qQ) and asymmetry parameter (η) data.

Calibration, event reconstruction, data analysis, and limit calculation for the LUX dark matter experiment

NASA Astrophysics Data System (ADS)

Akerib, D. S.; Alsum, S.; Araújo, H. M.; Bai, X.; Bailey, A. J.; Balajthy, J.; Beltrame, P.; Bernard, E. P.; Bernstein, A.; Biesiadzinski, T. P.; Boulton, E. M.; Brás, P.; Byram, D.; Cahn, S. B.; Carmona-Benitez, M. C.; Chan, C.; Currie, A.; Cutter, J. E.; Davison, T. J. R.; Dobi, A.; Dobson, J. E. Y.; Druszkiewicz, E.; Edwards, B. N.; Faham, C. H.; Fallon, S. R.; Fan, A.; Fiorucci, S.; Gaitskell, R. J.; Gehman, V. M.; Genovesi, J.; Ghag, C.; Gilchriese, M. G. D.; Hall, C. R.; Hanhardt, M.; Haselschwardt, S. J.; Hertel, S. A.; Hogan, D. P.; Horn, M.; Huang, D. Q.; Ignarra, C. M.; Jacobsen, R. G.; Ji, W.; Kamdin, K.; Kazkaz, K.; Khaitan, D.; Knoche, R.; Larsen, N. A.; Lee, C.; Lenardo, B. G.; Lesko, K. T.; Lindote, A.; Lopes, M. I.; Manalaysay, A.; Mannino, R. L.; Marzioni, M. F.; McKinsey, D. N.; Mei, D.-M.; Mock, J.; Moongweluwan, M.; Morad, J. A.; Murphy, A. St. J.; Nehrkorn, C.; Nelson, H. N.; Neves, F.; O'Sullivan, K.; Oliver-Mallory, K. C.; Palladino, K. J.; Pease, E. K.; Reichhart, L.; Rhyne, C.; Shaw, S.; Shutt, T. A.; Silva, C.; Solmaz, M.; Solovov, V. N.; Sorensen, P.; Sumner, T. J.; Szydagis, M.; Taylor, D. J.; Taylor, W. C.; Tennyson, B. P.; Terman, P. A.; Tiedt, D. R.; To, W. H.; Tripathi, M.; Tvrznikova, L.; Uvarov, S.; Velan, V.; Verbus, J. R.; Webb, R. C.; White, J. T.; Whitis, T. J.; Witherell, M. S.; Wolfs, F. L. H.; Xu, J.; Yazdani, K.; Young, S. K.; Zhang, C.; LUX Collaboration

2018-05-01

The LUX experiment has performed searches for dark-matter particles scattering elastically on xenon nuclei, leading to stringent upper limits on the nuclear scattering cross sections for dark matter. Here, for results derived from 1.4 ×104 kg days of target exposure in 2013, details of the calibration, event-reconstruction, modeling, and statistical tests that underlie the results are presented. Detector performance is characterized, including measured efficiencies, stability of response, position resolution, and discrimination between electron- and nuclear-recoil populations. Models are developed for the drift field, optical properties, background populations, the electron- and nuclear-recoil responses, and the absolute rate of low-energy background events. Innovations in the analysis include in situ measurement of the photomultipliers' response to xenon scintillation photons, verification of fiducial mass with a low-energy internal calibration source, and new empirical models for low-energy signal yield based on large-sample, in situ calibrations.

Position-sensitive coincidence detection of nuclear reaction products at the Prague Van-de-Graaff accelerator

NASA Astrophysics Data System (ADS)

Granja, Carlos; Kraus, Vaclav; Pugatch, Valery; Kohout, Zdenek

2017-06-01

In low-energy nuclear reactions of astrophysical interest or fusion studies the spatial- and time-correlated detection of two and more reaction products can be a valuable tool in studies of reaction mechanisms, resolving reaction channels and measuring angular distributions of reaction products. For this purpose we constructed a configurable array of position-sensitive detectors based on the hybrid semiconductor pixel detector Timepix. Additional analog-signal electronics provide self-trigger together with extended multi-device control and synchronized readout electronics by a customized control and coincidence unit. The instrumentation, developed and used for detection of fission fragments in spontaneous and neutron induced fission as well as in charged particle detection in neutron induced reactions, is being implemented for low-energy light-ion induced nuclear reactions. Application and demonstration of the technique with two Timepix detectors on p+p elastic scattering at the Van-de-Graaff (VdG) accelerator in Prague is given.

Herpes simplex virus 1 induces egress channels through marginalized host chromatin

DOE PAGES

Myllys, Markko; Ruokolainen, Visa; Aho, Vesa; ...

2016-06-28

Lytic infection with herpes simplex virus type 1 (HSV-1) induces profound modification of the cell nucleus including formation of a viral replication compartment and chromatin marginalization into the nuclear periphery. Here, we used three-dimensional soft X-ray tomography, combined with cryogenic fluorescence, confocal and electron microscopy, to analyse the transformation of peripheral chromatin during HSV-1 infection. Our data showed an increased presence of low-density gaps in the marginalized chromatin at late infection. Advanced data analysis indicated the formation of virus-nucleocapsid-sized (or wider) channels extending through the compacted chromatin of the host. Importantly, confocal and electron microscopy analysis showed that these gapsmore » frequently contained viral nucleocapsids. Our results demonstrated that HSV-1 infection induces the formation of channels penetrating the compacted layer of cellular chromatin and allowing for the passage of progeny viruses to the nuclear envelope, their site of nuclear egress.« less

Communication: Quantum molecular dynamics simulation of liquid para-hydrogen by nuclear and electron wave packet approach

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hyeon-Deuk, Kim, E-mail: kim@kuchem.kyoto-u.ac.jp; Japan Science and Technology Agency, PRESTO, 4-1-8 Honcho, Kawaguchi, Saitama 332-0012; Ando, Koji

2014-05-07

Liquid para-hydrogen (p-H{sub 2}) is a typical quantum liquid which exhibits strong nuclear quantum effects (NQEs) and thus anomalous static and dynamic properties. We propose a real-time simulation method of wave packet (WP) molecular dynamics (MD) based on non-empirical intra- and inter-molecular interactions of non-spherical hydrogen molecules, and apply it to condensed-phase p-H{sub 2}. The NQEs, such as WP delocalization and zero-point energy, are taken into account without perturbative expansion of prepared model potential functions but with explicit interactions between nuclear and electron WPs. The developed MD simulation for 100 ps with 1200 hydrogen molecules is realized at feasible computationalmore » cost, by which basic experimental properties of p-H{sub 2} liquid such as radial distribution functions, self-diffusion coefficients, and shear viscosities are all well reproduced.« less

Radiation and temperature effects on electronic components investigated under the CSTI high capacity power project

NASA Technical Reports Server (NTRS)

Schwarze, Gene E.; Niedra, Janis M.; Frasca, Albert J.; Wieserman, William R.

1993-01-01

The effects of nuclear radiation and high temperature environments must be fully known and understood for the electronic components and materials used in both the Power Conditioning and Control subsystem and the reactor Instrumentation and Control subsystem of future high capacity nuclear space power systems. This knowledge is required by the designer of these subsystems in order to develop highly reliable, long-life power systems for future NASA missions. A review and summary of the experimental results obtained for the electronic components and materials investigated under the power management element of the Civilian Space Technology Initiative (CSTI) high capacity power project are presented: (1) neutron, gamma ray, and temperature effects on power semiconductor switches, (2) temperature and frequency effects on soft magnetic materials; and (3) temperature effects on rare earth permanent magnets.

Heavy component of spent nuclear fuel: Efficiency of model-substance ionization by electron-induced discharge

DOE Office of Scientific and Technical Information (OSTI.GOV)

Antonov, N. N., E-mail: antonovnickola@gmail.com; Gavrikov, A. V.; Samokhin, A. A.

The method of plasma separation of spent nuclear fuel can be tested with a model substance which has to be transformed from the condensed to plasma state. For this purpose, electron-induced discharge in lead vapor injected into the interelectrode gap is simulated using the kinetic approach. The ionization efficiency, the electrostatic-potential distribution, and those of the ion and electron densities in the discharge gap are derived as functions of the discharge-current density and concentration of the vapor of the model substance. Given a discharge-current density of 3.5 A/cm{sup 2} and a lead-vapor concentration of 2 × 10{sup 12} cm{sup –3},more » the simulated ionization efficiency proves to be nearly 60%. The discharge in lead vapor is also investigated experimentally.« less

A front end readout electronics ASIC chip for position sensitive solid state detectors

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kravis, S.D.; Tuemer, T.O.; Visser, G.J.

1998-12-31

A mixed signal Application Specific Integrated Circuit (ASIC) chip for front end readout electronics of position sensitive solid state detectors has been manufactured. It is called RENA (Readout Electronics for Nuclear Applications). This chip can be used for both medical and industrial imaging of X-rays and gamma rays. The RENA chip is a monolithic integrated circuit and has 32 channels with low noise high input impedance charge sensitive amplifiers. It works in pulse counting mode with good energy resolution. It also has a self triggering output which is essential for nuclear applications when the incident radiation arrives at random. Different,more » externally selectable, operational modes that includes a sparse readout mode is available to increase data throughput. It also has externally selectable shaping (peaking) times.« less

Communication: Microsecond dynamics of the protein and water affect electron transfer in a bacterial bc1 complex

NASA Astrophysics Data System (ADS)

Martin, Daniel R.; Matyushov, Dmitry V.

2015-04-01

Cross-membrane electron transport between cofactors localized in proteins of mitochondrial respiration and bacterial photosynthesis is the source of all biological energy. The statistics and dynamics of nuclear fluctuations in these protein/membrane/water heterogeneous systems are critical for their energetic efficiency. The results of 13 μs of atomistic molecular dynamics simulations of the membrane-bound bc1 bacterial complex are analyzed here. The reaction is affected by a broad spectrum of nuclear modes, with the slowest dynamics in the range of time-scales ˜0.1-1.6 μs contributing half of the reaction reorganization energy. Two reorganization energies are required to describe protein electron transfer due to dynamical arrest of protein conformations on the observation window. This mechanistic distinction allows significant lowering of activation barriers for reactions in proteins.

Integral equation model for warm and hot dense mixtures.

PubMed

Starrett, C E; Saumon, D; Daligault, J; Hamel, S

2014-09-01

In a previous work [C. E. Starrett and D. Saumon, Phys. Rev. E 87, 013104 (2013)] a model for the calculation of electronic and ionic structures of warm and hot dense matter was described and validated. In that model the electronic structure of one atom in a plasma is determined using a density-functional-theory-based average-atom (AA) model and the ionic structure is determined by coupling the AA model to integral equations governing the fluid structure. That model was for plasmas with one nuclear species only. Here we extend it to treat plasmas with many nuclear species, i.e., mixtures, and apply it to a carbon-hydrogen mixture relevant to inertial confinement fusion experiments. Comparison of the predicted electronic and ionic structures with orbital-free and Kohn-Sham molecular dynamics simulations reveals excellent agreement wherever chemical bonding is not significant.

Measurement of Scintillation and Ionization Yield and Scintillation Pulse Shape from Nuclear Recoils in Liquid Argon

DOE PAGES

Cao, H.

2015-05-26

We have measured the scintillation and ionization yield of recoiling nuclei in liquid argon as a function of applied electric field by exposing a dual-phase liquid argon time projection chamber (LAr-TPC) to a low energy pulsed narrow band neutron beam produced at the Notre Dame Institute for Structure and Nuclear Astrophysics. Liquid scintillation counters were arranged to detect and identify neutrons scattered in the TPC and to select the energy of the recoiling nuclei. We also report measurements of the scintillation yields for nuclear recoils with energies from 10.3 to 57.3 keV and for median applied electric fields from 0more » to 970 V/cm. For the ionization yields, we report measurements from 16.9 to 57.3 keV and for electric fields from 96.4 to 486 V/cm. Furthermore, we report the observation of an anticorrelation between scintillation and ionization from nuclear recoils, which is similar to the anticorrelation between scintillation and ionization from electron recoils. Assuming that the energy loss partitions into excitons and ion pairs from 83mKr internal conversion electrons is comparable to that from 207Bi conversion electrons, we obtained the numbers of excitons (N ex) and ion pairs (N i) and their ratio (N ex/N i) produced by nuclear recoils from 16.9 to 57.3 keV. Motivated by arguments suggesting direction sensitivity in LAr-TPC signals due to columnar recombination, a comparison of the light and charge yield of recoils parallel and perpendicular to the applied electric field is presented for the first time.« less

Optical Pumping of the Electronic and Nuclear Spin of Single Charge-Tunable Quantum Dots

DTIC Science & Technology

2005-02-02

Optical Pumping of the Electronic and Nuclear Spin of Single Charge-Tunable Quantum Dots A. S . Bracker,1 E. A. Stinaff,1 D. Gammon,1 M. E. Ware,1 J...G. Tischler,1 A. Shabaev,1 Al. L. Efros,1 D. Park,1 D. Gershoni,2 V. L. Korenev ,3 and I. A. Merkulov3 1Naval Research Laboratory, Washington, D.C...intensity (open circles), the PRL 94, 047402 (2005) P H Y S I C A L R E V I E W L E T T E R S week ending 4 FEBRUARY 2005 0031-9007=05=94(4)=047402(4

The gj factor of a bound electron and the hyperfine structure splitting in hydrogenlike ions

NASA Astrophysics Data System (ADS)

Beier, Thomas

2000-12-01

The comparison between theory and experiment of the hyperfine structure splitting and the electronic gj factor in heavy highly charged ions provides a unique testing ground for quantum electrodynamics in the presence of strong electric and magnetic fields. A theoretical evaluation is presented of all quantum electrodynamical contributions to the ground-state hfs splitting in hydrogenlike and lithiumlike atoms as well as to the gj factor. Binding and nuclear effects are discussed as well. A comparison with the available experimental data is performed, and a detailed discussion of theoretical sources of uncertainty is included which is mainly due to insufficiently known nuclear properties.

Spectral structure of electron antineutrinos from nuclear reactors.

PubMed

Dwyer, D A; Langford, T J

2015-01-09

Recent measurements of the positron energy spectrum obtained from inverse beta decay interactions of reactor electron antineutrinos show an excess in the 4 to 6 MeV region relative to current predictions. First-principles calculations of fission and beta decay processes within a typical pressurized water reactor core identify prominent fission daughter isotopes as a possible origin for this excess. These calculations also predict percent-level substructures in the antineutrino spectrum due to Coulomb effects in beta decay. Precise measurement of these substructures can elucidate the nuclear processes occurring within reactors. These substructures can be a systematic issue for measurements utilizing the detailed spectral shape.

The boomerang effect in electron-hydrogen molecule scattering as determined by time-dependent calculations

NASA Astrophysics Data System (ADS)

Ben-Asher, Anael; Moiseyev, Nimrod

2017-05-01

The appearance of oscillations in the energy-dependent cross sections of the vibrational excitation ν =0 →ν ≥3 of the hydrogen molecule in its electronic ground state as predicted by Mündel, Berman, and Domcke [Phys. Rev. A 32, 181 (1985)] was confirmed in the electron scattering experiments by Allan [J. Phys. B: At. Mol. Phys. 18, L451 (1985)]. These unusual structures were obtained in spite of the extremely short lifetime of H2- in its ro-vibrational states. Based on the standard (Hermitian) time-independent scattering calculations, Horáček et al. [Phys. Rev. A 73, 022701 (2006)] associated these oscillations with the boomerang effect. Here, we show the boomerang effect as developed in time, based on our time-dependent nuclear wavepacket (WP) calculations. The nuclear WP dynamics of H2- is determined using the non-Hermitian quantum mechanics (NH-QM) which enables the use of the Born-Oppenheimer approximation with complex potential energy surfaces. This NH-QM approach, which enables us the association of the nuclear WP dynamics as obtained from the complex potential energy curve of H2- with the evolution of cross section in time, can enlighten the dynamics in other scattering experiments.

The boomerang effect in electron-hydrogen molecule scattering as determined by time-dependent calculations.

PubMed

Ben-Asher, Anael; Moiseyev, Nimrod

2017-05-28

The appearance of oscillations in the energy-dependent cross sections of the vibrational excitation ν=0→ν≥3 of the hydrogen molecule in its electronic ground state as predicted by Mündel, Berman, and Domcke [Phys. Rev. A 32, 181 (1985)] was confirmed in the electron scattering experiments by Allan [J. Phys. B: At. Mol. Phys. 18, L451 (1985)]. These unusual structures were obtained in spite of the extremely short lifetime of H 2 - in its ro-vibrational states. Based on the standard (Hermitian) time-independent scattering calculations, Horáček et al. [Phys. Rev. A 73, 022701 (2006)] associated these oscillations with the boomerang effect. Here, we show the boomerang effect as developed in time, based on our time-dependent nuclear wavepacket (WP) calculations. The nuclear WP dynamics of H 2 - is determined using the non-Hermitian quantum mechanics (NH-QM) which enables the use of the Born-Oppenheimer approximation with complex potential energy surfaces. This NH-QM approach, which enables us the association of the nuclear WP dynamics as obtained from the complex potential energy curve of H 2 - with the evolution of cross section in time, can enlighten the dynamics in other scattering experiments.

Radiation effects on electronic parts

NASA Technical Reports Server (NTRS)

Johnson, W. S.

1971-01-01

A search of literature concerning the long term effects of nuclear radiation on electronic parts was conducted to determine the effects of radiation fields encountered on deep space missions to parts used in the Pioneer Spacecraft. Topics discussed include: the various types of radiation the spacecraft will encounter, effects of radiation on electronic parts, and estimates of the damage thresholds for transistors and integrated circuits used on the Pioneer Spacecraft.

Electrical detection of nuclear spin-echo signals in an electron spin injection system

NASA Astrophysics Data System (ADS)

Lin, Zhichao; Rasly, Mahmoud; Uemura, Tetsuya

2017-06-01

We demonstrated spin echoes of nuclear spins in a spin injection device with a highly polarized spin source by nuclear magnetic resonance (NMR). Efficient spin injection into GaAs from a half-metallic spin source of Co2MnSi enabled efficient dynamic nuclear polarization (DNP) and sensitive detection of NMR signals even at a low magnetic field of ˜0.1 T and a relatively high temperature of 4.2 K. The intrinsic coherence time T2 of 69Ga nuclear spins was evaluated from the spin-echo signals. The relation between T2 and the decay time of the Rabi oscillation suggests that the inhomogeneous effects in our system are not obvious. This study provides an all-electrical NMR system for nuclear-spin-based qubits.

Pushing the envelope: microinjection of Minute virus of mice into Xenopus oocytes causes damage to the nuclear envelope.

PubMed

Cohen, Sarah; Panté, Nelly

2005-12-01

Parvoviruses are small DNA viruses that replicate in the nucleus of their host cells. It has been largely assumed that parvoviruses enter the nucleus through the nuclear pore complex (NPC). However, the details of this mechanism remain undefined. To study this problem, the parvovirus Minute virus of mice (MVM) was microinjected into the cytoplasm of Xenopus oocytes and a transmission electron microscope was used to visualize the effect of the virus on the host cell. It was found that MVM caused damage to the nuclear envelope (NE) in a time- and concentration-dependent manner. Damage was predominantly to the outer nuclear membrane and was often near the NPCs. However, microinjection experiments in which the NPCs were blocked showed that NE damage induced by MVM was independent of the NPC. To address the question of whether this effect of MVM is specific to the NE, purified organelles were incubated with MVM. Visualization by electron microscopy revealed that MVM did not affect all intracellular membranes. These data represent a novel form of virus-induced damage to host cell nuclear structure and suggest that MVM is imported into the nucleus using a unique mechanism that is independent of the NPC, and involves disruption of the NE and import through the resulting breaks.

Electrically Driving Donor Spin Qubits in Silicon Using Photonic Bandgap Resonators

NASA Astrophysics Data System (ADS)

Sigillito, A. J.; Tyryshkin, A. M.; Lyon, S. A.

In conventional experiments, donor nuclear spin qubits in silicon are driven using radiofrequency (RF) magnetic fields. However, magnetic fields are difficult to confine at the nanoscale, which poses major issues for individually addressable qubits and device scalability. Ideally one could drive spin qubits using RF electric fields, which are easy to confine, but spins do not naturally have electric dipole transitions. In this talk, we present a new method for electrically controlling nuclear spin qubits in silicon by modulating the hyperfine interaction between the nuclear spin qubit and the donor-bound electron. By fabricating planar superconducting photonic bandgap resonators, we are able to use pulsed electron-nuclear double resonance (ENDOR) techniques to selectively probe both electrically and magnetically driven transitions for 31P and 75As nuclear spin qubits. The electrically driven spin resonance mechanism allows qubits to be driven at either their transition frequency, or at one-half their transition frequency, thus reducing bandwidth requirements for future quantum devices. Moreover, this form of control allows for higher qubit densities and lower power requirements compared to magnetically driven schemes. In our proof-of-principle experiments we demonstrate electrically driven Rabi frequencies of approximately 50 kHz for widely spaced (10 μm) gates which should be extendable to MHz for nanoscale devices.

Quantum wavepacket ab initio molecular dynamics: an approach for computing dynamically averaged vibrational spectra including critical nuclear quantum effects.

PubMed

Sumner, Isaiah; Iyengar, Srinivasan S

2007-10-18

We have introduced a computational methodology to study vibrational spectroscopy in clusters inclusive of critical nuclear quantum effects. This approach is based on the recently developed quantum wavepacket ab initio molecular dynamics method that combines quantum wavepacket dynamics with ab initio molecular dynamics. The computational efficiency of the dynamical procedure is drastically improved (by several orders of magnitude) through the utilization of wavelet-based techniques combined with the previously introduced time-dependent deterministic sampling procedure measure to achieve stable, picosecond length, quantum-classical dynamics of electrons and nuclei in clusters. The dynamical information is employed to construct a novel cumulative flux/velocity correlation function, where the wavepacket flux from the quantized particle is combined with classical nuclear velocities to obtain the vibrational density of states. The approach is demonstrated by computing the vibrational density of states of [Cl-H-Cl]-, inclusive of critical quantum nuclear effects, and our results are in good agreement with experiment. A general hierarchical procedure is also provided, based on electronic structure harmonic frequencies, classical ab initio molecular dynamics, computation of nuclear quantum-mechanical eigenstates, and employing quantum wavepacket ab initio dynamics to understand vibrational spectroscopy in hydrogen-bonded clusters that display large degrees of anharmonicities.

Measurement of the scintillation time spectra and pulse-shape discrimination of low-energy β and nuclear recoils in liquid argon with DEAP-1

DOE PAGES

Amaudruz, P. -A.; Batygov, M.; Beltran, B.; ...

2016-09-17

The DEAP-1 low-background liquid argon detector has been used to measure scintillation pulse shapes of beta decays and nuclear recoil events and to demonstrate the feasibility of pulse-shape discrimination down to an electron-equivalent energy of 20 keV ee. The relative intensities of singlet/triplet states in liquid argon have been measured as a function of energy between 15 and 500 keVee for both beta and nuclear recoils. Using a triple-coincidence tag we find the fraction of beta events that are misidentified as nuclear recoils to be less than 6 x 10 -8 between 43-86 keV ee and that the discrimination parametermore » agrees with a simple analytic model. The discrimination measurement is currently limited by nuclear recoils induced by cosmic-ray generated neutrons, and is expected to improve by operating the detector underground at SNOLAB. The analytic model predicts a beta misidentification fraction of 10 -10 for an electron-equivalent energy threshold of 20 keV ee. This reduction allows for a sensitive search for spin-independent scattering of WIMPs from 1000 kg of liquid argon with a WIMP-nucleon cross-section sensitivity of 10 -46 cm 2.« less

Measurement of the scintillation time spectra and pulse-shape discrimination of low-energy β and nuclear recoils in liquid argon with DEAP-1

DOE Office of Scientific and Technical Information (OSTI.GOV)

Amaudruz, P. -A.; Batygov, M.; Beltran, B.

The DEAP-1 low-background liquid argon detector has been used to measure scintillation pulse shapes of beta decays and nuclear recoil events and to demonstrate the feasibility of pulse-shape discrimination down to an electron-equivalent energy of 20 keV ee. The relative intensities of singlet/triplet states in liquid argon have been measured as a function of energy between 15 and 500 keVee for both beta and nuclear recoils. Using a triple-coincidence tag we find the fraction of beta events that are misidentified as nuclear recoils to be less than 6 x 10 -8 between 43-86 keV ee and that the discrimination parametermore » agrees with a simple analytic model. The discrimination measurement is currently limited by nuclear recoils induced by cosmic-ray generated neutrons, and is expected to improve by operating the detector underground at SNOLAB. The analytic model predicts a beta misidentification fraction of 10 -10 for an electron-equivalent energy threshold of 20 keV ee. This reduction allows for a sensitive search for spin-independent scattering of WIMPs from 1000 kg of liquid argon with a WIMP-nucleon cross-section sensitivity of 10 -46 cm 2.« less

Calculation of electron and isotopes dose point kernels with fluka Monte Carlo code for dosimetry in nuclear medicine therapy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Botta, F.; Mairani, A.; Battistoni, G.

Purpose: The calculation of patient-specific dose distribution can be achieved by Monte Carlo simulations or by analytical methods. In this study, fluka Monte Carlo code has been considered for use in nuclear medicine dosimetry. Up to now, fluka has mainly been dedicated to other fields, namely high energy physics, radiation protection, and hadrontherapy. When first employing a Monte Carlo code for nuclear medicine dosimetry, its results concerning electron transport at energies typical of nuclear medicine applications need to be verified. This is commonly achieved by means of calculation of a representative parameter and comparison with reference data. Dose point kernelmore » (DPK), quantifying the energy deposition all around a point isotropic source, is often the one. Methods: fluka DPKs have been calculated in both water and compact bone for monoenergetic electrons (10{sup -3} MeV) and for beta emitting isotopes commonly used for therapy ({sup 89}Sr, {sup 90}Y, {sup 131}I, {sup 153}Sm, {sup 177}Lu, {sup 186}Re, and {sup 188}Re). Point isotropic sources have been simulated at the center of a water (bone) sphere, and deposed energy has been tallied in concentric shells. fluka outcomes have been compared to penelope v.2008 results, calculated in this study as well. Moreover, in case of monoenergetic electrons in water, comparison with the data from the literature (etran, geant4, mcnpx) has been done. Maximum percentage differences within 0.8{center_dot}R{sub CSDA} and 0.9{center_dot}R{sub CSDA} for monoenergetic electrons (R{sub CSDA} being the continuous slowing down approximation range) and within 0.8{center_dot}X{sub 90} and 0.9{center_dot}X{sub 90} for isotopes (X{sub 90} being the radius of the sphere in which 90% of the emitted energy is absorbed) have been computed, together with the average percentage difference within 0.9{center_dot}R{sub CSDA} and 0.9{center_dot}X{sub 90} for electrons and isotopes, respectively. Results: Concerning monoenergetic electrons, within 0.8{center_dot}R{sub CSDA} (where 90%-97% of the particle energy is deposed), fluka and penelope agree mostly within 7%, except for 10 and 20 keV electrons (12% in water, 8.3% in bone). The discrepancies between fluka and the other codes are of the same order of magnitude than those observed when comparing the other codes among them, which can be referred to the different simulation algorithms. When considering the beta spectra, discrepancies notably reduce: within 0.9{center_dot}X{sub 90}, fluka and penelope differ for less than 1% in water and less than 2% in bone with any of the isotopes here considered. Complete data of fluka DPKs are given as Supplementary Material as a tool to perform dosimetry by analytical point kernel convolution. Conclusions: fluka provides reliable results when transporting electrons in the low energy range, proving to be an adequate tool for nuclear medicine dosimetry.« less

Time-dependent theoretical treatments of the dynamics of electrons and nuclei in molecular systems

DOE Office of Scientific and Technical Information (OSTI.GOV)

Deumens, E.; Diz, A.; Longo, R.

1994-07-01

An overview is presented of methods for time-dependent treatments of molecules as systems of electrons and nuclei. The theoretical details of these methods are reviewed and contrasted in the light of a recently developed time-dependent method called electron-nuclear dynamics. Electron-nuclear dynamics (END) is a formulation of the complete dynamics of electrons and nuclei of a molecular system that eliminates the necessity of constructing potential-energy surfaces. Because of its general formulation, it encompasses many aspects found in other formulations and can serve as a didactic device for clarifying many of the principles and approximations relevant in time-dependent treatments of molecular systems.more » The END equations are derived from the time-dependent variational principle applied to a chosen family of efficiently parametrized approximate state vectors. A detailed analysis of the END equations is given for the case of a single-determinantal state for the electrons and a classical treatment of the nuclei. The approach leads to a simple formulation of the fully nonlinear time-dependent Hartree-Fock theory including nuclear dynamics. The nonlinear END equations with the [ital ab] [ital initio] Coulomb Hamiltonian have been implemented at this level of theory in a computer program, ENDyne, and have been shown feasible for the study of small molecular systems. Implementation of the Austin Model 1 semiempirical Hamiltonian is discussed as a route to large molecular systems. The linearized END equations at this level of theory are shown to lead to the random-phase approximation for the coupled system of electrons and nuclei. The qualitative features of the general nonlinear solution are analyzed using the results of the linearized equations as a first approximation. Some specific applications of END are presented, and the comparison with experiment and other theoretical approaches is discussed.« less

Classical molecular dynamics simulation of electronically non-adiabatic processes.

PubMed

Miller, William H; Cotton, Stephen J

2016-12-22

Both classical and quantum mechanics (as well as hybrids thereof, i.e., semiclassical approaches) find widespread use in simulating dynamical processes in molecular systems. For large chemical systems, however, which involve potential energy surfaces (PES) of general/arbitrary form, it is usually the case that only classical molecular dynamics (MD) approaches are feasible, and their use is thus ubiquitous nowadays, at least for chemical processes involving dynamics on a single PES (i.e., within a single Born-Oppenheimer electronic state). This paper reviews recent developments in an approach which extends standard classical MD methods to the treatment of electronically non-adiabatic processes, i.e., those that involve transitions between different electronic states. The approach treats nuclear and electronic degrees of freedom (DOF) equivalently (i.e., by classical mechanics, thereby retaining the simplicity of standard MD), and provides "quantization" of the electronic states through a symmetrical quasi-classical (SQC) windowing model. The approach is seen to be capable of treating extreme regimes of strong and weak coupling between the electronic states, as well as accurately describing coherence effects in the electronic DOF (including the de-coherence of such effects caused by coupling to the nuclear DOF). A survey of recent applications is presented to illustrate the performance of the approach. Also described is a newly developed variation on the original SQC model (found universally superior to the original) and a general extension of the SQC model to obtain the full electronic density matrix (at no additional cost/complexity).

Incorporating nuclear vibrational energies into the "atom in molecules" analysis: An analytical study

NASA Astrophysics Data System (ADS)

Gharabaghi, Masumeh; Shahbazian, Shant

2017-04-01

The quantum theory of atoms in molecules (QTAIM) is based on the clamped nucleus paradigm and solely working with the electronic wavefunctions, so does not include nuclear vibrations in the AIM analysis. On the other hand, the recently extended version of the QTAIM, called the multi-component QTAIM (MC-QTAIM), incorporates both electrons and quantum nuclei, i.e., those nuclei treated as quantum waves instead of clamped point charges, into the AIM analysis using non-adiabatic wavefunctions. Thus, the MC-QTAIM is the natural framework to incorporate the role of nuclear vibrations into the AIM analysis. In this study, within the context of the MC-QTAIM, the formalism of including nuclear vibrational energy in the atomic basin energy is developed in detail and its contribution is derived analytically using the recently proposed non-adiabatic Hartree product nuclear wavefunction. It is demonstrated that within the context of this wavefunction, the quantum nuclei may be conceived pseudo-adiabatically as quantum oscillators and both isotropic harmonic and anisotropic anharmonic oscillator models are used to compute the zero-point nuclear vibrational energy contribution to the basin energies explicitly. Inspired by the results gained within the context of the MC-QTAIM analysis, a heuristic approach is proposed within the context of the QTAIM to include nuclear vibrational energy in the basin energy from the vibrational wavefunction derived adiabatically. The explicit calculation of the basin contribution of the zero-point vibrational energy using the uncoupled harmonic oscillator model leads to results consistent with those derived from the MC-QTAIM.

Incorporating nuclear vibrational energies into the "atom in molecules" analysis: An analytical study.

PubMed

Gharabaghi, Masumeh; Shahbazian, Shant

2017-04-21

The quantum theory of atoms in molecules (QTAIM) is based on the clamped nucleus paradigm and solely working with the electronic wavefunctions, so does not include nuclear vibrations in the AIM analysis. On the other hand, the recently extended version of the QTAIM, called the multi-component QTAIM (MC-QTAIM), incorporates both electrons and quantum nuclei, i.e., those nuclei treated as quantum waves instead of clamped point charges, into the AIM analysis using non-adiabatic wavefunctions. Thus, the MC-QTAIM is the natural framework to incorporate the role of nuclear vibrations into the AIM analysis. In this study, within the context of the MC-QTAIM, the formalism of including nuclear vibrational energy in the atomic basin energy is developed in detail and its contribution is derived analytically using the recently proposed non-adiabatic Hartree product nuclear wavefunction. It is demonstrated that within the context of this wavefunction, the quantum nuclei may be conceived pseudo-adiabatically as quantum oscillators and both isotropic harmonic and anisotropic anharmonic oscillator models are used to compute the zero-point nuclear vibrational energy contribution to the basin energies explicitly. Inspired by the results gained within the context of the MC-QTAIM analysis, a heuristic approach is proposed within the context of the QTAIM to include nuclear vibrational energy in the basin energy from the vibrational wavefunction derived adiabatically. The explicit calculation of the basin contribution of the zero-point vibrational energy using the uncoupled harmonic oscillator model leads to results consistent with those derived from the MC-QTAIM.

Dynamics of Electron Transfer for a Nonsuperexchange Coherent Mechanism. I

DTIC Science & Technology

1989-10-13

observation. In the treatment three collective nuclear coordinates are introduced, permitting independent reorganization energies for each reactive center... nuclear coordinates are introduced, permitting independent reorganization energies for each reactive center. With certain approximations, namely, equal...numerically. One rough but simple analytical result for the latter is also given. tPresent address: Departmento de Quimica , Facultad de Ciencias

Microdosimetric Measurements on Nuclear Reactions.

DTIC Science & Technology

1983-01-01

applied to the field of radiation induced mutations. 130 BIBL OGI1APHY 1. T.C. May and M.H. Woods, IEEE Transactions on Electron Devices ED-l26, 2...McNulty, IEEE Transactions on Nuclear Science 11Sz29, 2012 (1982). 42. F.B. McLean and T.R. Oldham, ibid., NS-2.2, 2018 (1982). 43. G.C. Messenger

76 FR 39913 - Duke Energy Carolinas, LLC; Catawba Nuclear Station, Units 1 and 2; McGuire Nuclear Station...

Federal Register 2010, 2011, 2012, 2013, 2014

2011-07-07

...; Notice of Consideration of Issuance of Amendment to Facility Operating License, Proposed No Significant Hazards Consideration Determination, and Opportunity for a Hearing and Order Imposing Procedures for... comments. Comments submitted in writing or in electronic form will be posted on the NRC Web site and on the...

Defense Threat Reduction Agency > Research > DTRIAC > Media Collection

Science.gov Websites

*Cover a broad scope of both the pre- and post-test activities of a test series or operation *Detonations FOIA Electronic Reading Room Privacy Impact Assessment DTRA No Fear Act Reporting Nuclear Test Personnel Review NTPR Fact Sheets NTPR Radiation Dose Assessment Documents US Atmospheric Nuclear Test

The Validity of the Use of the Neutron Reduction Factor in Assessing Displacement Damage to Electronics in Armoured Vehicles

DTIC Science & Technology

1990-02-01

ELECTRONICS IN ARMOURED VEHICLES byo0 T. Cousins and TJ. Jamieson co N OTIC L , k .. •, ’" DEFENCE RESEARCH ESTABLISHMENT OTTAWA REPORT NO.1032 February...DISPLACEMENT DAMAGE TO ELECTRONICS IN ARMOURED VEHICLES by T. Cousins Nuclear Effects Section EAectronics Divsion and TJ. Jamkson Science Applications...The degree of protection from neutron irradiation afforded to electronics by armoured vehicles is most correctly defined by the outside-to-inside ratio

Feasibility study of common electronic equipment for shuttle sortie experiment payloads

NASA Technical Reports Server (NTRS)

1974-01-01

A study was conducted to determine the feasibility of using standardized electronic equipment on the space shuttle vehicle in an effort to reduce the cost estimates. The standards for Nuclear Instrument Modules (NIM) and CAMAC electronic equipment are presented and described. It was determined that the CAMAC electronic equipment was more suitable for use with the space shuttle systems. Specific applications of the CAMAC equipment are analyzed. Illustrations of the equipment and circuit diagrams of the subsystems are provided.

10 CFR 52.3 - Written communications.

Code of Federal Regulations, 2013 CFR

2013-01-01

..., for example, via Electronic Information Exchange, e-mail, or CD-ROM. Electronic submissions must be... submissions can be obtained by visiting the NRC's Web site at http://www.nrc.gov/site-help/e-submittals.html; by e-mail to [email protected]; or by writing the Office of Information Services, U.S. Nuclear...

Proceedings of the Conference on High-temperature Electronics

NASA Technical Reports Server (NTRS)

1981-01-01

The development of electronic devices for use in high temperature environments is addressed. The instrumentational needs of planetary exploration, fossil and nuclear power reactors, turbine engine monitoring, and well logging are defined. Emphasis is place on the fabrication and performance of materials and semiconductor devices, circuits and systems and packaging.