Probing warm dense lithium by inelastic X-ray scattering

One of the grand challenges of contemporary physics is understanding strongly interacting quantum systems comprising such diverse examples as ultracold atoms in traps, electrons in high-temperature superconductors and nuclear matter. Warm dense matter, defined by temperatures of a few electron volts and densities comparable with solids, is a complex state of such interacting matter. Moreover, the study of warm dense matter states has practical applications for controlled thermonuclear fusion, where it is encountered during the implosion phase, and it also represents laboratory analogues of astrophysical environments found in the core of planets and the crusts of old stars, Here we demonstrate how warm dense matter states can be diagnosed and structural properties can be obtained by inelastic X-ray scattering measurements on a compressed lithium sample. Combining experiments and ab initio simulations enables us to determine its microscopic state and to evaluate more approximate theoretical models for the ionic structure.

Measurement of Short-Range Correlations in Shock-Compressed Plastic by Short-Pulse X-Ray Scattering

We have performed short-pulse x-ray scattering measurements on laser-driven shock-compressed plastic samples in the warm dense matter regime, providing instantaneous snapshots of the system evolution. Time-resolved and angularly resolved scattered spectra sensitive to the correlation effects in the plasma show the appearance of short-range order within a few interionic separations. Comparison with radiation-hydrodynamic simulations indicates that the shocked plastic is compressed with a temperature of a few electron volts. These results are important for the understanding of the thermodynamic behavior of strongly correlated matter for conditions relevant to both laboratory astrophysics and inertial confinement fusion research.

Electron-impact excitation of Fe II: Effective collision strengths for optically allowed fine-structure transitions

In this paper. we present collision strengths and Maxwellian averaged effective collision strengths for the electron-impact excitation of Fe II. We consider specifically the optically allowed lines for transitions from the 3d(6)4s and 3d(7) even parity configuration states to the 3d(6)4p odd parity configuration levels. The parallel suite of Breit-Pauli codes are utilized to compute the collision cross-sections where relativistic effects are included explicitly in both the target and the scattering approximation. A total of 100 LS or 262-jj levels formed from the basis configurations 3d(6)4s, 3d(7) and 3d(6)4p were included in the wave-function representation of the target, including all doublet. quartet and sextet terms. The Maxwellian averaged effective collision strengths are computed across a wide range of electron temperatures from 100 to 100,000 K, temperatures of importance in astrophysical and plasma applications. A detailed comparison is made with previous works and significant differences were found to occur for some of the transitions considered. We conclude that in order to obtain converged collision strengths and effective collision strengths for these allowed transitions it is necessary to include contributions from partial waves up to L = 50 explicitly in the calculation, and in addition, account for contributions from even higher partial waves through a "top up" procedure.

Electron-impact excitation of Ni II: Collision strengths and effective collision strengths for low lying fine-structure forbidden transitions

Context. Considerable demand exists for electron excitation data for Ni ii, since lines from this abundant ion are observed in a wide variety of laboratory and astrophysical spectra. The accurate theoretical determination of these data can present a significant challenge however, due to complications arising from the presence of an open 3d-shell in the description of the target ion. Aims. In this work we present collision strengths and Maxwellian averaged effective collision strengths for the electron-impact ex- citation of Ni ii. Attention is concentrated on the 153 forbidden fine-structure transitions between the energetically lowest 18 levels of Ni ii. Effective collision strengths have been evaluated at 27 individual electron temperatures ranging from 30–100 000 K. To our knowledge this is the most extensive theoretical collisional study carried out on this ion to date.Methods. The parallel R-matrix package RMATRX II has recently been extended to allow for the inclusion of relativistic effects. This suite of codes has been utilised in the present work in conjunction with PSTGF to evaluate collision strengths and effective collision strengths for all of the low-lying forbidden fine-structure transitions. The following basis configurations were included in the target model – 3d9 , 3d8 4s, 3d8 4p, 3d7 4s2 and 3d7 4s4p – giving rise to a sophisticated 295 j j-level, 1930 coupled channel scattering problem. Results. Comprehensive comparisons are made between the present collisional data and those obtained from earlier theoretical evaluations. While the effective collision strengths agree well for some transitions, significant discrepancies exist for others.

Electron-impact excitation of Cr II A theoretical calculation of collision and effective collision strengths for forbidden transitions

Context. Absorption or emission lines of Cr II are observed in a wide variety of astrophysical spectra and accurate atomic data are urgently needed to interpret these lines. Many of these data are impossible to measure experimentally and a full theoretical treatment is the only means by which these data can be obtained.

Aims. In this paper, we present collision strengths and effective collision strengths for electron-impact excitation of Cr II for forbidden transitions among the lowest-lying 74 fine-structure levels. Effective collision strengths have been computed for 18 individual electron temperatures of astrophysical importance, ranging from 2000-100 000 K.

Methods. The parallel suite of R-matrix packages, RMATRX II, which has recently been extended to allow for the inclusion of relativistic effects, has been used in the present work to compute the collision strengths and effective collision strengths for electron-impact excitation of Cr II. We concentrate in this publication on low-lying forbidden lines among the lowest 74 jj fine-structure levels with configurations 3d(5) and 3d(4)4s, although atomic data has been evaluated for all 39 060 transitions among the 280 jj levels of configurations 3d(5), 3d(4)4s and 3d(4)4p. This work constitutes the largest evaluation ever performed for this ion involving 1932 coupled channels.

Results. Collision and effective collision strengths are presented for all transitions among the lowest 74 J pi states of Cr II and comparisons made with the work of Bautista et al. (2009). While the effective collision strengths agree well for some transitions, significant discrepancies exist for others. We believe that the present atomic data represents the most accurate, most sophisticated and most complete data set for electron-impact excitation of Cr II and we would recommend them to astrophysicists and plasma physicists in their application work. We would expect that the effective collision strengths presented for the important low-lying forbidden lines are accurate to within 15%.

Convergence of partial-wave expansions for energies, scattering amplitudes and positron annihilation rates

We use many-body theory to find the asymptotic behaviour of second-order correlation corrections to the energies and positron annihilation rates in many- electron systems with respect to the angular momenta l of the single-particle orbitals included. The energy corrections decrease as 1/(l+1/2)4, in agreement with the result of Schwartz, whereas the positron annihilation rate has a slower 1/(l+1/2)2 convergence rate. We illustrate these results by numerical calculations of the energies of Ne and Kr and by examining results from extensive con?guration-interaction calculations of PsH binding and annihilation.

Comment on “Electron transport through correlated molecules computed using the time-independent Wigner function: Two critical tests”

The many-electron-correlated scattering (MECS) approach to quantum electronic transport was investigated in the linear-response regime [I. Bâldea and H. Köppel, Phys. Rev. B 78, 115315 (2008). The authors suggest, based on numerical calculations, that the manner in which the method imposes boundary conditions is unable to reproduce the well-known phenomena of conductance quantization. We introduce an analytical model and demonstrate that conductance quantization is correctly obtained using open system boundary conditions within the MECS approach.

Dissociative electron attachment to the highly reactive difluoromethylene molecule–importance of CF2 for negative ion formation in fluorocarbon plasmas

Dissociative electron attachment to the highly reactive difluoromethylene molecule, CF2, produced in a C3F6/He microwave plasma and stepwise via the fast atom reaction CF3I+H?CF3+HI and CF3+H?CF2+HF, has been investigated. The upper limit for the cross section of formation of F- via dissociative electron attachment to CF2 is estimated to be 5×10-4?Å2. This value is four orders of magnitude smaller than the cross section previously predicted from scattering calculations. It is concluded that difluoromethylene plays a negligible role in negative ion formation in fluorocarbon plasmas.

Electron-impact excitation of Ni II: Effective collision strengths for optically allowed fine-structure transitions

In this paper, we present collision strengths and Maxwellian averaged effective collision strengths for the electron-impact excitation of Ni II. Attention is expressly concentrated on the optically allowed fine-structure transitions between the 3d 9, 3d 84s, and 3d 74s 2 even parity levels and the 3d 84p and 3d 74s 4p odd parity levels. The parallel RMATRXII R-matrix package has been recently extended to allow for the inclusion of relativistic fine-structure effects. This suite of codes has been utilized in conjunction with the parallel PSTGF and PSTGICF programs in order to compute converged total collision strengths for the allowed transitions with which this study is concerned. All 113 LS terms identified with the 3d 9, 3d 84s, 3d 74s 2, 3d 84p, and 3d 74s 4p basis configurations were included in the target wavefunction representation, giving rise to a sophisticated 295 jj-level, 1930 coupled channel scattering complex. Maxwellian averaged effective collision strengths have been computed at 30 individual electron temperatures ranging from 30 to 1,000,000 K. This range comfortably encompasses all temperatures significant to astrophysical and plasma applications. The convergence of the collision strengths is exhaustively investigated and comparisons are made with previous theoretical works, where significant discrepancies exist for the majority of transitions. We conclude that intrinsic in achieving converged collision strengths and thus effective collision strengths for the allowed transitions is the combined inclusion of contributions from the (N + 1) partial waves extending to a total angular momentum value of L = 50 and further contributions from even higher partial waves accomplished by employing a "top-up" procedure.

Electron-impact excitation of CrII: A theoretical calculation of effective collision strengths for optically allowed transitions.

In this paper, we present electron-impact excitation collision strengths and Maxwellian averaged effective collision strengths for the complicated iron-peak ion Cr II. We consider specifically the allowed lines for transitions from the 3d(5) and 3d(4)4s even parity configuration states to the 3d(4)4p odd parity configuration levels. The parallel suite of R-Matrix packages, RMATRX II, which have recently been extended to allow for the inclusion of relativistic effects, were used to compute the collision cross sections. A total of 108 LS pi/280 J pi levels from the basis configurations 3d(5), 3d(4)4s, and 3d(4)4p were included in the wavefunction representation of the target including all doublet, quartet, and sextet terms. Configuration interaction and correlation effects were carefully considered by the inclusion of seven more configurations and a pseudo-corrector (4d) over bar type orbital. The 10 configurations incorporated into the Cr II model thus listed are 3d(5), 3d(4)4s, 3d(4)4p, 3d(3)4s(2), 3d(3)4p(2), 3d(3)4s4p, 3d(4)(4d) over bar, 3d(3)4s (4d) over bar, 3d(3)4p (4d) over bar, and 3d(3)(4d) over bar (2), constituting the largest Cr II target model considered to date in a scattering calculation. The Maxwellian averaged effective collision strengths are computed for a wide range of electron temperatures 2000-100,000 K which are astrophysically significant. Care has been taken to ensure that the partial wave contributions to the collision strengths for these allowed lines have converged with "top-up" from the Burgess-Tully sum rule incorporated. Comparisons are made with the results of Bautista et al. and significant differences are found for some of the optically allowed lines considered.

Characterization of novel Ag on TiO2 films for surface-enhanced Raman scattering

Novel Ag on TiO₂ films are generated by semiconductor photocatalysis and characterized by ultraviolet-visible (UV/Vis) spectroscopy, scanning electron microscopy (SEM), and atomic force microscopy (AFM), as well as assessed for surface-enhanced Raman scattering (SERS) activity. The nature and thickness of the photodeposited Ag, and thus the degree of SERS activity, is controlled by the time of exposure of the TiO₂ film to UV light. All such films exhibit the optical characteristics (λ_max ≅ 390 nm) of small (<20 nm) Ag particles, although this feature becomes less prominent as the film becomes thicker. The films comprise quite large (>40 nm) Ag islands that grow and merge with increasing levels of Ag photodeposition. Tested with a benzotriazole dye probe, the films are SERS active, exhibiting activity similar to that of 6-nm-thick vapordeposited films. The Ag/TiO₂ films exhibit a lower residual standard deviation (∼25%) compared with Ag vapor-deposited films (∼45%), which is, however, still unacceptable for quantitative work. The sample-to-sample variance could be reduced significantly (<7%) by spinning the film during the SERS measurement. The Ag/TiO₂ films are mechanically robust and resistant to removal and damage by scratching, unlike the Ag vapor-deposited films. The Ag/TiO₂ films also exhibit no obvious loss of SERS activity when stored in the dark under otherwise ambient conditions. The possible extension of this simple, effective method of producing Ag films for SERS, to metals other than Ag and to semiconductors other than TiO₂, is briefly discussed. 

Electron-impact excitation of Sc II: collision strengths and effective collision strengths for fine-structure transitions.

Accurate fine-structure atomic data for the Fe-peak elements are essential for interpreting astronomical spectra. There is a severe paucity of data available for Sc II, highlighted by the fact that no collision strengths are readily available for this ion. We present electron-impact excitation collision strengths and Maxwellian averaged effective collision strengths for Sc II. The collision strengths were calculated for all 3916 transitions amongst 89 jj levels (arising from the 3d4s, 3d2, 4s2, 3d4p, 4s4p, 3d5s, 3d4d, 3d5p, 4p2 and 3d4f configurations), resulting in a 944 coupled channel problem. The R-matrix package RMATRXII was utilized, along with the transformation code FINE and the external region code PSTGF, to calculate the collision strengths for a range of incident electron energies in the 0 to 8.3 Rydberg region. Maxwellian averaged effective collision strengths were then produced for 27 temperatures lying within the astrophysically significant range of 30 to 105 K.
The collision strengths and effective collision strengths were produced for two different target models. The purpose was to systematically examine the effect of including open 3p correlation terms into the configuration interaction expansion for the wavefunction. The first model consisted of all 36 CI terms that could be generated with the 3p core closed. The second model incorporated an additional six configurations which allowed for single-electron excitations from within the 3p core. Comparisons are made between the two models and the results of Bautista et al., obtained by private communication. It is concluded that the first model produced the most reliable set of collision and effective collision strengths for use in astrophysical and plasma applications.

Particle simulation study of electron heating by counter-streaming ion beams ahead of supernova remnant shocks

The growth and saturation of Buneman-type instabilities is examined with a particle-in-cell (PIC) simulation for parameters that are representative for the foreshock region of fast supernova remnant shocks. A dense ion beam and the electrons correspond to the upstream plasma and a fast ion beam to the shock-reflected ions. The purpose of the 2D simulation is to identify the nonlinear saturation mechanisms, the electron heating and potential secondary instabilities that arise from anisotropic electron heating and result in the growth of magnetic fields. We confirm that the instabilities between both ion beams and the electrons saturate by the formation of phase space holes by the beam-aligned modes. The slower oblique modes accelerate some electrons, but they cannot heat up the electrons significantly before they are trapped by the faster beam-aligned modes. Two circular electron velocity distributions develop, which are centred around the velocity of each ion beam. They develop due to the scattering of the electrons by the electrostatic wave potentials. The growth of magnetic fields is observed, but their amplitude remains low.

Surface-Enhanced Raman Scattering from Metallic Nanostructures: Bridging the Gap between the Near-Field and Far-Field Responses

We present here a detailed study of the complex relationship between the electromagnetic near-field and far-field responses of "real" nanostructured metallic surfaces. The near-field and far-field responses are specified in terms of (spectra of) the surface-enhanced Raman-scattering enhancement factor (SERS EF) and optical extinction, respectively. First, it is shown that gold nanorod- and nanotube-array substrates exhibit three distinct localized surface plasmon resonances (LSPRs): a longitudinal, a transverse, and a cavity mode. The cavity mode simultaneously has the largest impact on the near-field behavior (as observed through the SERS EF) and the weakest optical interaction: It has a "near-field-type" character. The transverse and longitudinal modes have a significant impact on the far-field behavior but very little impact on SERS: They have a "far-field-type" character. We confirm the presence of the cavity mode using a combination of SERS EF spectra, electron microscopy, and electromagnetic modeling and thus clearly illustrate and explain the (lack of) correlation between the SERS EF spectra and the optical response in terms of the contrasting character of the three LSPRs. In doing so, we experimentally demonstrate that, for a surface that supports multiple LSPRs, the near-field and far-field properties can in fact be tuned almost independently. It is further demonstrated that small changes in geometrical parameters that tune the spectral location of the LPSRs can also drastically influence the character of these modes, resulting in certain unusual behavior, such as the far-field resonance redshift as the near-field resonance blueshifts. DOI: 10.1103/PhysRevX.3.011001

Investigation of magnesium laser ablated plumes with Thomson scattering

Optical Thomson scattering has been implemented as a diagnostic of laser ablated plumes generated with second harmonic Nd:YAG laser radiation at 532 nm. Thomson scattering data with both spatial and temporal resolution has been collected, giving both electron density, and temperature distributions within the plume as a function of time. Although the spatial profiles do not match very well for simple models assuming either isothermal or isentropic expansion, consideration of the measured ablated mass indicates an isothermal expansion fits better than an isentropic expansion and indeed, at late time, the spatial profile of temperature is almost consistent with an isothermal approximation.