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S. Nelson

Publications and source records attributed to S. Nelson.

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Collaborative Experience between Scientific Software Projects using Agile Scrum Development

Developing sustainable software for the scientific community requires expertise in software engineering and domain science. This can be challenging due to the unique needs of scientific software, the insufficient resources for software engineering practices in the scientific community, and the complexity of developing for evolving scientific contexts. While open-source software can partially address these concerns, it can introduce complicating dependencies and delay development. These issues can be reduced if scientists and software developers collaborate. We present a case study wherein scientists from the SuperNova Early Warning System collaborated with software developers from the Scalable Cyberinfrastructure for Multi-Messenger Astrophysics project. The collaboration addressed the difficulties of open-source software development, but presented additional risks to each team. For the scientists, there was a concern of relying on external systems and lacking control in the development process. For the developers, there was a risk in supporting a user-group while maintaining core development. These issues were mitigated by creating a second Agile Scrum framework in parallel with the developers' ongoing Agile Scrum process. This Agile collaboration promoted communication, ensured that the scientists had an active role in development, and allowed the developers to evaluate and implement the scientists' software requirements. The collaboration provided benefits for each group: the scientists actuated their development by using an existing platform, and the developers utilized the scientists' use-case to improve their systems. This case study suggests that scientists and software developers can avoid scientific computing issues by collaborating and that Agile Scrum methods can address emergent concerns.

cs.SE

Multiple Fourier Component Analysis of X-ray Second Harmonic Generation in Diamond

The unprecedented brilliance of X-ray free-electron lasers (XFELs) [1, 2] has enabled first studies of nonlinear interactions in the hard X-ray range. In particular, X-ray-optical mixing [3], X-ray second harmonic generation (XSHG) [4] and nonlinear Compton scattering (NLCS) [5] have been recently observed for the first time using XFELs. The former two experiments as well as X-ray parametric downconversion (XPDC)[6, 7] are well explained by nonlinearities in the impulse approximation[8], where electrons in a solid target are assumed to be quasi free for X-ray interactions far from atomic resonances. However, the energy of the photons generated in NLCS at intensities reaching up to 4 x 1020 W/cm2 exhibit an anomalous red-shift that is in violation with the free-electron model. Here we investigate the underlying physics of X-ray nonlinear interactions at intensities on order of 1016 W/cm2. Specifically, we perform a systematic study of XSHG in diamond. While one phase-matching geometry has been measured in Shwartz et al.[4], we extend these studies to multiple Fourier components and with significantly higher statistics, which allows us to determine the second order nonlinear structure factor. We measure the efficiency, angular dependence, and contributions from different source terms of the process. We find good agreement of our measurements with the quasi-free electron model.

physics.optics

The Astropy Project: Building an inclusive, open-science project and status of the v2.0 core package

The Astropy project supports and fosters the development of open-source and openly-developed Python packages that provide commonly-needed functionality to the astronomical community. A key element of the Astropy project is the core package Astropy, which serves as the foundation for more specialized projects and packages. In this article, we provide an overview of the organization of the Astropy project and summarize key features in the core package as of the recent major release, version 2.0. We then describe the project infrastructure designed to facilitate and support development for a broader ecosystem of inter-operable packages. We conclude with a future outlook of planned new features and directions for the broader Astropy project.

astro-ph.IM

Optimal pulse processing, pile-up decomposition and applications of silicon drift detectors at LCLS

Silicon drift detectors (SDDs) revolutionized spectroscopy in fields as diverse as geology and dentistry. For a subset of experiments at ultra-fast, x-ray free-electron lasers (FELs), SDDs can make substantial contributions. Often the unknown spectrum is interesting, carrying science data, or the background measurement is useful to identify unexpected signals. Many measurements involve only several discrete photon energies known a priori, allowing single event decomposition of pile-up and spectroscopic photon counting. We designed a pulse function and demonstrated that the signal amplitude and rise time are obtained for each pulse by fitting, thus removing the need for pulse shaping. By avoiding pulse shaping, rise times of tens of nanoseconds resulted in reduced pulse pile-up and allowed decomposition of remaining pulse pile-up at photon separation times down to hundreds of nanoseconds while yielding time-of-arrival information with precision of 10 nanoseconds. Waveform fitting yields simultaneously high energy resolution and high counting rates (2 orders of magnitude higher than current digital pulse processors). We showed that pile-up spectrum fitting is relatively simple and preferable to pile-up spectrum deconvolution. We developed a photon pile-up statistical model for constant intensity sources, extended it to variable intensity sources (typical for FELs) and used it to fit a complex pile-up spectrum. We subsequently developed a Bayesian pile-up decomposition method that allows decomposing pile-up of single events with up to 6 photons from 6 monochromatic lines with 99% accuracy. The usefulness of SDDs will continue into the x-ray FEL era of science. Their successors, the ePixS hybrid pixel detectors, already offer hundreds of pixels, each with similar performance to an SDD, in a compact, robust and affordable package

physics.ins-det

Self-referenced coherent diffraction x-ray movie of Angstrom- and femtosecond-scale atomic motion

Time-resolved femtosecond x-ray diffraction patterns from laser-excited molecular iodine are used to create a movie of intramolecular motion with time and space resolution of $30~$fs and $0.3$ \AA . The high spatial fidelity is due to interference between the moving excitation and the static initial charge distribution. This x-ray interference has not been employed to image internal motion in molecules before. The initial state is used as the local oscillator for heterodyne amplification of the excited charge distribution to retrieve real-space movies of atomic motion on \AA ngstrom and femtosecond scales. Coherent vibrational motion and dispersion, dissociation, and rotational dephasing are all clearly visible in the data, thereby demonstrating the stunning sensitivity of heterodyne methods.

physics.atom-ph

Photoinduced Enhancement of the Charge Density Wave Amplitude

Symmetry breaking and the emergence of order is one of the most fascinating phenomena in condensed matter physics. It leads to a plethora of intriguing ground states found in antiferromagnets, Mott insulators, superconductors, and density-wave systems. Exploiting states of matter far from equilibrium can provide even more striking routes to symmetry-lowered, ordered states. Here, we demonstrate for the case of elemental chromium that moderate ultrafast photo-excitation can transiently enhance the charge-density-wave (CDW) amplitude by up to 30% above its equilibrium value, while strong excitations lead to an oscillating, large-amplitude CDW state that persists above the equilibrium transition temperature. Both effects result from dynamic electron-phonon interactions, providing an efficient mechanism to selectively transform a broad excitation of the electronic order into a well defined, long-lived coherent lattice vibration. This mechanism may be exploited to transiently enhance order parameters in other systems with coupled degrees of freedom.

cond-mat.str-el

Light on curved backgrounds

We consider the motion of light on different spacetime manifolds by calculating the deflection angle, lensing properties and by probing into the possibility of bound states. The metrics in which we examine the light motion include, among other, a general relativistic Dark Matter metric, a dirty Black Hole and a Worm Hole metric, the last two inspired by non-commutative geometry. The lensing in a Holographic Screen metric is discussed in detail. We study also the bending of light around naked singularities like, e.g., the Janis-Newman-Winicour metric and include other cases. A generic property of light behaviour in these exotic metrics is pointed out. For the standard metric like the Schwarzschild and Schwarzschild-de Sitter cases we improve the accuracy of the lensing results for the weak and strong regime.

gr-qc