arXiv subjects

M. Bender

Publications and source records attributed to M. Bender.

At least 55 records · Page 3Linked to original sources

arXiv2016

Symmetry-unrestricted Skyrme mean-field study of heavy nuclei

In the light of recent experimental developments, increasing attention is devoted to nuclear phenomena related to rotational excitations of exotic intrinsic nuclear configurations that often lack symmetries present in the majority of nuclei. Examples include configurations with a non-vanishing octupole moment. In order to describe this kind of states, we have developed a new computer code to solve the self-consistent mean-field equations, able to use most of today's effective Skyrme interactions and working in coordinate-space. We report on the development of MOCCa, a code based on the same principles as EV8, but offering the user individual control on many symmetry assumptions. In addition, the HF+BCS pairing treatment of EV8 has been generalised to the full machinery of Hartree-Fock-Bogoliubov transformations. We discuss as example the static fission barrier of $^{226}$Ra, prefacing extended studies in the region, using the recent series of Skyrme parameterizations SLy5s1 through SLy5s8.

nucl-th↗

arXiv2016

Constraining the surface properties of effective Skyrme interactions

The purpose of this study is threefold: first, to identify a scheme for the determination of the surface energy coefficient a_surf that offers the best compromise between robustness, precision, and numerical efficiency; second, to analyze the correlation between values for a_surf and the characteristic energies of the fission barrier of Pu240; and third, to lay out a procedure how the deformation properties of the Skyrme energy density functional (EDF) can be constrained during the parameter fit. There are several frequently used possibilities to define and calculate the surface energy coefficient a_surf of effective interactions. The most direct access is provided by the model system of semi-infinite nuclear matter, but a_surf can also be extracted from the systematics of binding energies of finite nuclei. Calculations can be carried out either self-consistently (HF), which incorporates quantal shell effects, or in one of the semi-classical Extended Thomas-Fermi (ETF) or Modified Thomas-Fermi (MTF) approximations. The surface energy coefficient of 76 parameterizations of the Skyrme EDF have been calculated. Values obtained with the HF, ETF and MTF methods are not identical, but differ by fairly constant systematic offsets. Despite having some drawbacks compared to the other methods studied here, the MTF approach provides sufficiently precise values for a_surf such that it can be used as a very robust constraint on surface properties during a parameter fit at negligible additional cost. Through the construction of a series of eight parameterizations SLy5s1-SLy5s8 of the standard Skyrme EDF with systematically varied a_surf value it is shown how to arrive at a fit with realistic deformation properties. [Note: The abstract has been abbreviated because of length restrictions imposed by the arXiv. See the paper for the full abstract.]

nucl-th↗

arXiv2015

Numerical accuracy of mean-field calculations in coordinate space

Background: Mean-field methods based on an energy density functional (EDF) are powerful tools used to describe many properties of nuclei in the entirety of the nuclear chart. The accuracy required on energies for nuclear physics and astrophysics applications is of the order of 500 keV and much effort is undertaken to build EDFs that meet this requirement. Purpose: The mean-field calculations have to be accurate enough in order to preserve the accuracy of the EDF. We study this numerical accuracy in detail for a specific numerical choice of representation for the mean-field equations that can accommodate any kind of symmetry breaking. Method: The method that we use is a particular implementation of 3-dimensional mesh calculations. Its numerical accuracy is governed by three main factors: the size of the box in which the nucleus is confined, the way numerical derivatives are calculated and the distance between the points on the mesh. Results: We have examined the dependence of the results on these three factors for spherical doubly-magic nuclei, neutron-rich $^{34}$Ne, the fission barrier of $^{240}$Pu and isotopic chains around Z = 50. Conclusions: Mesh calculations offer the user extensive control over the numerical accuracy of the solution scheme. By making appropriate choices for the numerical scheme the achievable accuracy is well below the model uncertainties of mean-field methods.

nucl-th↗

arXiv2015

Properties of nuclei in the nobelium region studied within the covariant, Skyrme, and Gogny energy density functionals

We calculate properties of the ground and excited states of nuclei in the nobelium region for proton and neutron numbers of 92 <= Z <= 104 and 144 <= N <= 156, respectively. We use three different energy-density-functional (EDF) approaches, based on covariant, Skyrme, and Gogny functionals, each within two different parameter sets. A comparative analysis of the results obtained for odd-even mass staggerings, quasiparticle spectra, and moments of inertia allows us to identify single-particle and shell effects that are characteristic to these different models and to illustrate possible systematic uncertainties related to using the EDF modelling

nucl-th↗

arXiv2015

Collectivity in the light radon nuclei measured directly via Coulomb excitation

Background: Shape coexistence in heavy nuclei poses a strong challenge to state-of-the-art nuclear models, where several competing shape minima are found close to the ground state. A classic region for investigating this phenomenon is in the region around $Z=82$ and the neutron mid-shell at $N=104$. Purpose: Evidence for shape coexistence has been inferred from $α$-decay measurements, laser spectroscopy and in-beam measurements. While the latter allow the pattern of excited states and rotational band structures to be mapped out, a detailed understanding of shape coexistence can only come from measurements of electromagnetic matrix elements. Method: Secondary, radioactive ion beams of $^{202}$Rn and $^{204}$Rn were studied by means of low-energy Coulomb excitation at the REX-ISOLDE facility in CERN. Results: The electric-quadrupole ($E2$) matrix element connecting the ground state and first-excited $2^{+}_{1}$ state was extracted for both $^{202}$Rn and $^{204}$Rn, corresponding to ${B(E2;2^{+}_{1} \to 2^{+}_{1})=29^{+8}_{-8}}$ W.u. and $43^{+17}_{-12}$ W.u., respectively. Additionally, $E2$ matrix elements connecting the $2^{+}_{1}$ state with the $4^{+}_{1}$ and $2^{+}_{2}$ states were determined in $^{202}$Rn. No excited $0^{+}$ states were observed in the current data set, possibly due to a limited population of second-order processes at the currently-available beam energies. Conclusions: The results are discussed in terms of collectivity and the deformation of both nuclei studied is deduced to be weak, as expected from the low-lying level-energy schemes. Comparisons are also made to state-of-the-art beyond-mean-field model calculations and the magnitude of the transitional quadrupole moments are well reproduced.

nucl-ex↗

arXiv2015

Ab initio-driven nuclear energy density functional method. A proposal for safe/correlated/improvable parametrizations of the off-diagonal EDF kernels

This programmatic paper lays down the possibility to reconcile the necessity to resum many-body correlations into the energy kernel with the fact that safe multi-reference energy density functional (EDF) calculations cannot be achieved whenever the Pauli principle is not strictly enforced, as is for example the case when many-body correlations are parametrized under the form of empirical density dependencies. Our proposal is to exploit a newly developed ab initio many-body formalism to guide the construction of safe, explicitly correlated and systematically improvable parametrizations of the {\it off-diagonal} energy and norm kernels that lie at the heart of the nuclear EDF method. The many-body formalism of interest relies on the concepts of symmetry breaking {\it and} restoration that have made the fortune of the nuclear EDF method and is, as such, amenable to this guidance. After elaborating on our proposal, we briefly outline the project we plan to execute in the years to come.

nucl-th↗

arXiv2015

Beyond mean-field study of elastic and inelastic electron scattering off nuclei

Electron scattering provides a powerful tool to determine charge distributions and transition densities of nuclei. This tool will soon be available for short-lived neutron-rich nuclei. [Purpose] Beyond mean-field methods have been successfully applied to the study of excitation spectra of nuclei in the whole nuclear chart. These methods permit to determine energies and transition probabilities starting from an effective in-medium nucleon-nucleon interaction but without other phenomenological ingredients. Such a method has recently been extended to calculate the charge density of nuclei deformed at the mean-field level of approximation [J. M. Yao et al., Phys. Rev. C86, 014310 (2012)]. The aim of this work is to further extend the method to the determination of transition densities between low-lying excited states. [Method] The starting point of our method is a set of Hartree-Fock-Bogoliubov wave functions generated with a constraint on the axial quadrupole moment and using a Skyrme energy density functional. Correlations beyond the mean field are introduced by projecting mean-field wave functions on angular-momentum and particle number and by mixing the symmetry restored wave functions.[Results] We give in this paper detailed formulae derived for the calculation of densities and form factors. These formulae are rather easy to obtain when both initial and final states are $0^+$ states but are far from being trivial when one of the states has a finite $J$-value. Illustrative applications to $^{24}$Mg and to the even-mass $^{58-68}$Ni have permitted to analyse the main features of our method, in particular the effect of deformation on densities and form factors. An illustration calculation of both elastic and inelastic scattering form factors is presented....

nucl-th↗

arXiv2014

Local formation of nitrogen-vacancy centers in diamond by swift heavy ions

We exposed nitrogen-implanted diamonds to beams of swift uranium and gold ions (~1 GeV) and find that these irradiations lead directly to the formation of nitrogen vacancy (NV) centers, without thermal annealing. We compare the photoluminescence intensities of swift heavy ion activated NV- centers to those formed by irradiation with low-energy electrons and by thermal annealing. NV- yields from irradiations with swift heavy ions are 0.1 of yields from low energy electrons and 0.02 of yields from thermal annealing. We discuss possible mechanisms of NV-center formation by swift heavy ions such as electronic excitations and thermal spikes. While forming NV centers with low efficiency, swift heavy ions enable the formation of three dimensional NV- assemblies over relatively large distances of tens of micrometers. Further, our results show that NV-center formation is a local probe of (partial) lattice damage relaxation induced by electronic excitations from swift heavy ions in diamond.

cond-mat.mtrl-sci↗

arXiv2014

Beyond Mean-Field Calculations for Odd-A Nuclei

Beyond mean-field methods are very successful tools for the description of large-amplitude collective motion for even-even atomic nuclei. The state-of-the-art framework of these methods consists in a Generator Coordinate Method based on angular-momentum and particle-number projected triaxially deformed Hatree-Fock-Bogoliubov (HFB) states. The extension of this scheme to odd-mass nuclei is a long-standing challenge. We present for the first time such an extension, where the Generator Coordinate space is built from self-consistently blocked one-quasiparticle HFB states. One of the key points for this success is that the same Skyrme interaction is used for the mean-field and the pairing channels, thus avoiding problems related to the violation of the Pauli principle. An application to 25Mg illustrates the power of our method, as agreement with experiment is obtained for the spectrum, electromagnetic moments, and transition strengths, for both positive and negative parity states and without the necessity for effective charges or effective moments. Although the effective interaction still requires improvement, our study opens the way to systematically describe odd-A nuclei throughout the nuclear chart.

nucl-th↗

arXiv2014

Solution of the Skyrme HF+BCS equation on a 3D mesh. II. A new version of the Ev8 code

We describe a new version of the EV8 code that solves the nuclear Skyrme-Hartree-Fock+BCS problem using a 3-dimensional cartesian mesh. Several new features have been implemented with respect to the earlier version published in 2005. In particular, the numerical accuracy has been improved for a given mesh size by (i) implementing a new solver to determine the Coulomb potential for protons (ii) implementing a more precise method to calculate the derivatives on a mesh that had already been implemented earlier in our beyond-mean-field codes. The code has been made very flexible to enable the use of a large variety of Skyrme energy density functionals that have been introduced in the last years. Finally, the treatment of the constraints that can be introduced in the mean-field equations has been improved. The code Ev8 is today the tool of choice to study the variation of the energy of a nucleus from its ground state to very elongated or triaxial deformations with a well-controlled accuracy.

nucl-th↗

arXiv2013

Spurious finite-size instabilities in nuclear energy density functionals

It is known that some well-established parametrizations of the EDF do not always provide converged results for nuclei and a qualitative link between this finding and the appearance of finite-size instabilities of SNM near saturation density when computed within the RPA has been pointed out. We seek for a quantitative and systematic connection between the impossibility to converge self-consistent calculations of nuclei and the occurrence of finite-size instabilities in SNM for the example of scalar-isovector (S=0, T=1) instabilities of the standard Skyrme EDF. We aim to establish a stability criterion based on computationally-friendly RPA calculations of SNM that is independent on the functional form of the EDF and that can be utilized during the adjustment of its coupling constants. Tuning the coupling constant $C^{ρΔρ}_{1}$ of the gradient term that triggers scalar-isovector instabilities of the standard Skyrme EDF, we find that the occurrence of instabilities in finite nuclei depends strongly on the numerical scheme used to solve the self-consistent mean-field equations. The link to instabilities of SNM is made by extracting the lowest density $ρ_{\text{crit}}$ at which a pole appears at zero energy in the RPA response function when employing the critical value of the coupling constant $C^{ρΔρ}_{1}$ extracted in nuclei. Our analysis suggests a two-fold stability criterion to avoid scalar-isovector instabilities: (i) The density $ρ_{\text{min}}$ corresponding to the lowest pole in the RPA response function should be larger than about 1.2 times the saturation density; (ii) one needs to verify that $ρ_{p}(q_{\text{pq}})$ exhibits a distinct global minimum and is not a decreasing function for large transferred momenta.

nucl-th↗

arXiv2013

Skyrme functional from a three-body pseudo-potential of second-order in gradients. Formalism for central terms

In one way or the other, all modern parametrizations of the nuclear energy density functional (EDF) do not respect the exchange symmetry associated with Pauli's principle. It has been recently shown that this practice jeopardizes multi-reference (MR) EDF calculations by contaminating the energy with spurious self-interactions that, for example, lead to finite steps or even divergences when plotting it as a function of collective coordinates. As of today, the only viable option to bypass these pathologies is to rely on EDF kernels that enforce Pauli's principle from the outset by strictly and exactly deriving from a genuine, i.e. density-independent, Hamilton operator. We wish to develop the most general Skyrme-like EDF parametrization containing linear, bilinear and trilinear terms in the density matrices with up to two gradients, under the key constraint that it derives strictly from an effective Hamilton operator. The most general three-body Skyrme-like pseudo-potential containing up to two gradient operators is constructed to generate the trilinear part. The present study is limited to central terms. Spin-orbit and tensor will be addressed in a forthcoming paper. (See paper for full abstract)

nucl-th↗

arXiv2013

Radiation Hardness of Graphene and MoS2 Field Effect Devices Against Swift Heavy Ion Irradiation

We have investigated the deterioration of field effect transistors based on twodimensional materials due to irradiation with swift heavy ions. Devices were prepared with exfoliated single layers of MoS2 and graphene, respectively. They were characterized before and after irradiation with 1.14 GeV U228+2 ions using three different fluences. By electrical characterization, atomic force microscopy and Raman spectroscopy we show that the irradiation leads to significant changes of structural and electrical properties. At the highest fluence of 4 x 102^11 ions/cm^2, the MoS2 transistor is destroyed, while the graphene based device remains operational, albeit with an inferior performance.

cond-mat.mtrl-sci↗

arXiv2012

Skyrme pseudo-potential-based EDF parametrisation for spuriousity-free MR-EDF calculations

First exploratory steps towards a pseudo-potential-based Skyrme energy density functional for spuriousity-free multi-reference calculations are presented. A qualitatively acceptable fit can be accomplished by adding simple three- and four-body contact terms to the standard central plus spin-orbit two-body terms. To achieve quantitative predictive power, higher-order terms, e.g. velocity-dependent three-body terms, will be required.

nucl-th↗

arXiv2012

Systematics of low-lying states of even-even nuclei in the neutron-deficient lead region from a beyond-mean-field calculation

Nuclei located in the neutron-deficient Pb region have a complex structure, rapidly evolving as a function of neutron and proton numbers. The most famous example is $^{186}$Pb where the three lowest levels are $0^+$ states, the two excited $0^+$ ones being located at low excitation energy around 600 keV. Coexisting structures with different properties are found in the neighboring nuclei. Many experiments have been performed over the last few years in which in-band and out-of-band $γ$ transition probabilities have been measured. A detailed interpretation of experimental data requires the use of a method going beyond a mean-field approach that permits to determine spectra and transition probabilities. Such methods have already been applied to selected isotopes in this mass region. Our aim is to provide a systematic investigation of this mass region in order to determine how well experimental data can be understood using a state-of-the-art method for nuclear structure. The starting point of our method is a set of mean-field wave functions generated with a constraint on the axial quadrupole moment and using a Skyrme energy density functional. Correlations beyond the mean field are introduced by projecting mean-field wave functions on angular-momentum and particle number and by mixing the symmetry restored wave functions as a function of the axial quadrupole moment. A detailed comparison with the available data is performed for energies, charge radii, spectroscopic quadrupole moments, $E0$ and $E2$ transition probabilities for the isotopic chains of neutron deficient Hg, Pb, Po and Rn. The connection between our results and the underlying mean field is also analyzed. Qualitative agreement with the data is obtained although our results indicate that the actual energy density functionals have to be improved further to achieve a quantitative agreement.

nucl-th↗

arXiv2012

Structure of superheavy nuclei

Properties of transactinide nuclei needed for the interpretation of spectroscopic data and for the extrapolation to the expected "island of stability" of superheavy nuclei are reviewed from a theorist's point of view in the framework of self-consistent mean-field models.

nucl-th↗

arXiv2012

New parameterization of Skyrme's interaction for regularized multi-reference energy density functional calculations

[Background] Symmetry restoration and configuration mixing in the spirit of the generator coordinate method based on energy density functionals have become widely used techniques in low-energy nuclear structure physics. Recently, it has been pointed out that these techniques are ill-defined for standard Skyrme functionals, and a regularization procedure has been proposed to remove the resulting spuriosities from such calculations. This procedure imposes an integer power of the density for the density dependent terms of the functional. At present, only dated parameterizations of the Skyrme interaction fulfill this condition. [Purpose] To construct a set of parameterizations of the Skyrme energy density functional for multi-reference energy density functional calculations with regularization using the state-of-the-art fitting protocols. [Method] The parameterizations were adjusted to reproduce ground state properties of a selected set of doubly magic nuclei and properties of nuclear matter. Subsequently, these parameter sets were validated against properties of spherical and deformed nuclei. [Results] Our parameter sets successfully reproduce the experimental binding energies and charge radii for a wide range of singly-magic nuclei. Compared to the widely used SLy5 and to the SIII parameterization that has integer powers of the density, a significant improvement of the reproduction of the data is observed. Similarly, a good description of the deformation properties at $A\sim 80$ was obtained. [Conclusions] We have constructed new Skyrme parameterizations with integer powers of the density and validated them against a broad set of experimental data for spherical and deformed nuclei. These parameterizations are tailor-made for regularized multi-reference energy density functional calculations and can be used to study correlations beyond the mean-field in atomic nuclei.

nucl-th↗

arXiv2011

The tensor part of the Skyrme energy density functional. III. Time-odd terms at high spin

This article extends previous studies on the effect of tensor terms in the Skyrme energy density functional by breaking of time-reversal invariance. We have systematically probed the impact of tensor terms on properties of superdeformed rotational bands calculated within the cranked Hartree-Fock-Bogoliubov approach for different parameterizations covering a wide range of values for the isoscalar and isovector tensor coupling constants. We analyze in detail the contribution of the tensor terms to the energies and dynamical moments of inertia and study their impact on quasi-particle spectra. Special attention is devoted to the time-odd tensor terms, the effect of variations of their coupling constants and finite-size instabilities.

nucl-th↗