Peer-Review Publications

To celebrate the leading role Computer Physics Communications (CPC) has played in publishing open-source software in computational physics for over 50 years the editors are delighted to announce this Virtual Special Issue. Since 2018, coinciding with the 50th anniversary of the start of the CPC venture, thirty-two invited articles have been published. Each has been peer reviewed and each bears the header ‘CPC 50th anniversary article’. The special issue is in keeping with CPC's ethos: it is focused on computational physics software and is accompanied by twenty-five software systems. The introduction to the collection also includes a personal reflection on Phil Burke, CPC's founder, by Alan Hibbert, a lifelong colleague, who joined Queen's University with Phil in the autumn of 1967. The distinctive feature of CPC is its Program Library which houses and distributes over 3500 open-source programs in computational physics. The introduction concludes with a description of key events in the history of the Program Library, its association with Queen's University Belfast and its transfer to Elsevier's Mendeley Data repository.

Using quantum-mechanical, one-dimensional, non-Born-Oppenheimer simulations we study the control over the strong-field dynamics of the helium hydride molecular ion HeH+ due to interaction driven by short and strong two-color laser pulses. We calculate yields of two competing fragmentation channels: electron removal and dissociation. We find that by changing the relative phase of the two colors, we can select the dominating channel. Nuclear motion is decisive for explaining ionization in this target. Ionization yields are vastly underestimated when nuclear motion is excluded and they are substantially reduced in the heavier isotopologue HeD+. Coupling of the two lowest electronic states is crucial even for the ground-state dissociation process.

The propagation of ultra-intense circularly polarized laser pulses in a relativistically transparent plasma is investigated with the help of particle-in-cell (PIC) simulations. When the incident laser pulse is strong enough to expel almost all electrons from the focal volume, the propagation of the laser front edge is found to be dominated by the balance between the laser radiation pressure and the laser-driven electrostatic pressure. Based on a one-dimensional (1D) model, the laser front edge velocity is predicted to depend on , where n0 is the initial plasma density, nc the critical density and a0 the laser amplitude. PIC simulations show that the theoretical prediction works well for not only 1D but also 2D and 3D geometries.

One of the most important properties influencing the chemical behavior of an element is the electron affinity (EA). Among the remaining elements with unknown EA is astatine, where one of its isotopes, 211At, is remarkably well suited for targeted radionuclide therapy of cancer. With the At− anion being involved in many aspects of current astatine labeling protocols, the knowledge of the electron affinity of this element is of prime importance. Here we report the measured value of the EA of astatine to be 2.41578(7)\thinspaceeV. This result is compared to state-of-the-art relativistic quantum mechanical calculations that incorporate both the Breit and the quantum electrodynamics (QED) corrections and the electron—electron correlation effects on the highest level that can be currently achieved for many-electron systems. The developed technique of laser-photodetachment spectroscopy of radioisotopes opens the path for future EA measurements of other radioelements such as polonium, and eventually super-heavy elements.

Charge-state selective recombination rate coefficients were measured by time of flight (TOF) analyzed highly charged Si ions extracted from an electron-beam ion trap. Additionally, the combination of simultaneous TOF and x-ray measurements and a separation of the dielectronic recombination contribution in the x-ray spectra is used for extracting electron-impact excitation rate coefficients for several overlaying charge states. Experimentally derived dielectronic recombination spectra for XIII and XIV Si are compared and found in excellent agreement with the results of relativistic many-body perturbation theory calculations.

We demonstrate that tailored laser beams provide a powerful means to make quantum vacuum signatures in strong electromagnetic fields accessible in experiment. Typical scenarios aiming at the detection of quantum vacuum nonlinearities at the high-intensity frontier envision the collision of focused laser pulses. The effective interaction of the driving fields mediated by vacuum fluctuations gives rise to signal photons encoding the signature of quantum vacuum nonlinearity. Isolating a small number of signal photons from the large background of the driving laser photons poses a major experimental challenge. The main idea of the present work is to modify the far-field properties of a driving laser beam to exhibit a fieldfree hole in its center, thereby allowing for an essentially backgroundfree measurement of the signal scattered in the forward direction. Our explicit construction makes use of a peculiar far-field/focus duality.

For more than 40 years, most astrophysical observations and laboratory studies of two key soft x-ray diagnostic 2p-3d transitions, 3C and 3D, in Fe XVII ions found oscillator strength ratios f(3C)/f(3D) disagreeing with theory, but uncertainties had precluded definitive statements on this much studied conundrum. Here, we resonantly excite these lines using synchrotron radiation at PETRA III, and reach, at a millionfold lower photon intensities, a 10 times higher spectral resolution, and 3 times smaller uncertainty than earlier work. Our final result of f(3C)/f(3D)=3.09(8)(6) supports many of the earlier clean astrophysical and laboratory observations, while departing by five sigmas from our own newest large-scale ab initio calculations, and excluding all proposed explanations, including those invoking nonlinear effects and population transfers.

We report on the use of synthetic single-crystal diamonds for high definition x-ray polarimetry. The diamonds are precision mounted to form artificial channel-cut crystals (ACCs). Each ACC supports four consecutive reflections with a scattering angle 2ΘB of 90°. We achieved a polarization purity of 3.0×10−10 at beamline ID18 of the European Synchrotron Radiation Facility (ESRF). When the x-ray beam's horizontal divergence was reduced through additional collimation from 17 to 8.4μrad, the polarization purity improved to 1.4×10−10. Precision x-ray polarimetry thus has reached the limit, where the purity is determined by the divergence of the beam. In particular, this result is important for polarimetry at fourth generation x-ray sources, which provide diffraction-limited x-ray beams. The sensitivity expected as a consequence of the present work will pave the way for exploring new physics such as the investigation of vacuum birefringence.

We present an in-depth analysis of an ultrafast electron trajectory type that produces attosecond electromagnetic pulses in both the reflected and forward directions during normal incidence, relativistic laser-plasma interactions. Our particle-in-cell simulation results show that for a target which is opaque to the frequency of the driving laser pulse the emission trajectory is synchrotronlike but differs significantly from the previously identified figure-eight type which produces bright attosecond bursts exclusively in the reflected direction. The origin and characteristics of this trajectory type are explained in terms of the driving electromagnetic fields, the opacity of the plasma, and the conservation of canonical momentum.

Since the invention of chirped pulse amplification, which was recognized by a Nobel prize in physics in 2018, there has been a continuing increase in available laser intensity. Combined with advances in our understanding of the kinetics of relativistic plasma, studies of laser-plasma interactions are entering a new regime where the physics of relativistic plasmas is strongly affected by strong-field quantum electrodynamics (QED) processes, including hard photon emission and electron-positron (e^+-e^−) pair production. This coupling of quantum emission processes and relativistic collective particle dynamics can result in dramatically new plasma physics phenomena, such as the generation of dense e^+-e^− pair plasma from near vacuum, complete laser energy absorption by QED processes or the stopping of an ultrarelativistic electron beam, which could penetrate a cm of lead, by a hair's breadth of laser light. In addition to being of fundamental interest, it is crucial to study this new regime to understand the next generation of ultra-high intensity laser-matter experiments and their resulting applications, such as high energy ion, electron, positron, and photon sources for fundamental physics studies, medical radiotherapy, and next generation radiography for homeland security and industry.

With the recent realization of kilotesla quasistatic magnetic fields, the interaction of a laser with magnetized solids enters an unexplored new regime. In particular, a circularly polarized (CP) laser pulse may propagate in a highly magnetized plasma of any high density without encountering cutoff reflection in the whistler mode. With this, we propose a scheme for producing uniform warm dense matter (WDM) by direct laser heating with a CP laser irradiating onto the target along the magnetic field. It is shown by particle-in-cell simulations, which include advanced ionization dynamics and collision dynamics, moderately intense right-hand CP laser light at 1015W/cm2 can propagate in solid aluminum and heat it efficiently to the 100 eV level within picoseconds. By using two laser pulses irradiating from two sides of a thin solid target, uniform heating to WDM can be achieved. This provides a controllable way to create WDM at different temperatures.

We report on a compact high-photon-flux extreme ultraviolet (XUV) source based on high harmonic generation. A high XUV-photon flux (>10¹³ photons/s) is achieved at 21.8 eV and 26.6 eV. The narrow spectral bandwidth (ΔE/E < 10⁻³) of the generated harmonics is in the range of state-of-the-art synchrotron beamlines and enables high resolution spectroscopy experiments. The robust design based on a fiber– laser system enables turnkey-controlled and even remotely controlled operation outside specialized laser laboratories, which opens the way for a variety of applications.

Ultrafast measurements in the extreme ultraviolet (XUV) spectral region targeting femtosecond timescales rely until today on two complementary XUV laser sources: free electron lasers (FELs) and high-harmonic generation (HHG) based sources. The combination of these two source types was until recently not realized. The complementary properties of both sources including broad bandwidth, high pulse energy, narrowband tunability and femtosecond timing, open new opportunities for two-color pump-probe studies. Here we show first results from the commissioning of a high-harmonic beamline that is fully synchronized with the free-electron laser FLASH, installed at beamline FL26 with permanent end-station including a reaction microscope (REMI). An optical parametric amplifier synchronized with the FEL burst mode drives the HHG process. First commissioning tests including electron momentum measurements using REMI, demonstrate long-term stability of the HHG source over more than 14 hours. This realization of the combination of these light sources will open new opportunities for time-resolved studies targeting different science cases including core-level ionization dynamics or the electron dynamics during the transformation of a molecule within a chemical reaction probed on femtosecond timescales in the ultraviolet to soft X-ray spectral region.

The spontaneous parametric down-conversion of photons has been widely applied for generating entangled photon pairs. We theoretically explore the entangled down-converted state of the photon pair, also known as biphoton state, for both degenerate and nondegenerate photon pairs. In particular, the spatial structure of the biphoton state has been expressed in Bessel modes to better understand the correlation with regard to the opening angle Ï'k of Bessel modes. In fact, the opening angles of the down-converted photon pair are not independent of each other, but rather are correlated. Furthermore, we confirm the experimentally observed conditions concerning the optimization of generating high-degree spatial entanglement by controlling the beam waist of the pump beam. We also introduce a new experimental setup for efficient measurement of the spatial entanglement of the biphoton state using geometrical optics arguments.

The Facility for Antiproton and Ion Research (FAIR) will employ the World's highest intensity relativistic beams of heavy nuclei to uniquely create and investigate macroscopic (millimeter-sized) quantities of highly energetic and dense states of matter. Four principal themes of research have been identified: properties of materials driven to extreme conditions of pressure and temperature, shocked matter and material equation of state, basic properties of strongly coupled plasma and warm dense matter, and nuclear photonics with a focus on the excitation of nuclear processes in plasmas, laser-driven particle acceleration, and neutron production. The research program, principally driven by an international collaboration of scientists, called the HED@FAIR collaboration, will evolve over the next decade as the FAIR project completes and experimental capabilities develop. The first programmatic research element, called “FAIR Phase 0, officially began in 2018 to test components, detectors, and experimental techniques. Phase-0 research employs the existing and enhanced infrastructure of the GSI Helmholtzzentrum für Schwerionenforschung (GSI) heavy-ion synchrotron coupled with the PHELIX high-energy, high-intensity laser. The “FAIR Day one” experimental program, presently scheduled to begin in 2025, commences the use of FAIR's heavy-ion synchrotron, coupled to new experimental and diagnostic infrastructure, to realize the envisaged high-energy-density-science research program.

In the present work, we report an investigation of plasma environment effects on the atomic parameters associated with the K-vacancy states in highly charged iron ions within the astrophysical context of accretion disks around black holes. More particularly, the sensitivity of K-line X-ray fluorescence parameters (wavelengths, radiative transition probabilities, and Auger rates) in Fe XVII–Fe XXV ions has been estimated for plasma conditions characterized by an electron temperature ranging from 10⁵ to 10⁷ K and an electron density ranging from 10¹⁸ to 10²² cm⁻³. In order to do this, relativistic multiconfiguration Dirac-Fock atomic structure calculations have been carried out by considering a time averaged Debye-Hückel potential for both the electron–nucleus and electron–electron interactions.

The room-temperature electrostatic heavy ion storage ring FLSR was originally designed to study the collision dynamics of atoms and molecules. Recently it has been equipped with a RF plasma ion source combined with a charge exchange cell to be able to perform studies with negative ions in the ring. In preliminary experiments beams of He−, O− and OH− could successfully be stored. The measured lifetime of the metastable He−—ion is in good agreement with previous results, showing that the lifetime measurement in this case is not limited by the storage time due to collisional detachment. In the case of O− and OH− storage times in the order of seconds have been achieved. In a next step laser beams will be introduced in the ring allowing photodetachment studies of vibrationally cold molecules.