Direct ab initio MD simulation of silver ion diffusion in chalcogenide glasses

In this paper, we present new models of germanium selenide chalcogenide glasses heavily doped with silver. The models were readily obtained with ab initio molecular dynamics and their structure agrees closely with diffraction measurements. Thermal molecular dynamics simulation reveals the dynamics of Ag+ ions and the existence of trapping centers as conjectured in other theory work. We show that first principles simulation is a powerful tool to reveal the motion of ions in glass.Comment: 3 pages, 3 figures, submitted to Phys. Stat. Sol. {b} Rapid Research Letter

ON-LINE DRINKING WATER CONTAMINATION EVENT DETECTION METHODS

A task of water supply systems is to provide safe drinking water to every customer, which is a basic human need. Aging of water supply networks and increased precaution of terrorism risks led to re-evaluation of drinking water supply system reliability and vulnerability to accidental and intentional contamination. Contamination of drinking water can cause health, social, psychological and economic issues. During the last decade, early warning systems (EWS) were often used to ensure the safety of drinking water. EWS are driven by conventional sets of drinking water quality sensors, and the collected data are analyzed in real time. For detection of contamination events, numbers of algorithms have been developed. Most of the algorithms are based on statistical analysis or machine learning. The aim of this study was to compare existing methods and to identify the method, which is suitable for contamination detection in drinking water from non-compound specific sensors and requires relatively low computational resource. A detailed review of 11 different algorithms was presented in the current study with the primary focus on detection probability. Cluster analysis in combination with Mahalanobis distances of feature vectors and Canonical correlation analysis (CCA) approach were selected as the most promising methods for application in a new generation of EWS to detect and classify possible contamination events and agents. While canonical correlation analysis method was the most accurate for detection of contamination events, an advantage of Mahalanobis distances was that it not only detects the contamination events but also could identify the type of contaminant. In this study, we conclude that CCA and Mahalanobis distance methods might be applied for detection of contamination events with relatively high and reliable precision

A comparison of an elliptical multipole wiggler and crystal optics for the production of circularly polarized x-rays

Recently, there has been a great deal of interest in polarization modulated x-ray diffraction and spectroscopy techniques. In particular, the importance of photon helicity in spin-dependent magnetic interactions has expanded the need for high quality circularly polarized x-ray sources with fast switching capabilities. Because circularly polarized photons couple differently with the magnetic moment of an atom than do neutrons, they are able to provide unique magnetic information not accessible by neutron techniques. The development of experiments utilizing circularly polarized x-rays, however, has been hampered by the lack of efficient sources. Two different approaches for the production of circularly polarized x-rays have attracted the most attention; (i) employing specialized insertion devices, and (ii) utilizing x-ray phase retarders based on perfect crystal optics. For soft x-rays (0.1--3.0 keV), source development has centered primarily on insertion devices because there are currently no crystal or multilayer polarizing optics available that cover that full energy range. For harder x-rays (>3.0 keV), however, phase retarding optics have been demonstrated, but whether these optics or insertion devices provide the most efficient circularly polarized x-ray source in this energy regime has remained a matter of contention. Advocates of each method have made qualitative statements about their advantages, i.e., insertion devices provide a larger flux and phase retarders provide a higher degree of circular polarization, yet a detailed quantitative comparison has been lacking. In this paper, we attempt to provide such a comparison by examining the efficiencies of an elliptical multipole wiggler (EMW) and a standard undulator followed by phase retarding crystal optics

An integral equation based computer code for high-gain free-electron lasers

A computer code for gain optimization of high-gain free-electron lasers (FELs) is described. The electron motion is along precalculated period-averaged trajectories, and the finite-emittance electron beam is represented by a set of thin partial beams. The radiation field amplitudes are calculated at these thin beams only. The system of linear integral equations for these field amplitudes and the Fourier harmonics of the current of each thin beam is solved numerically. The code is aimed for design optimization of high-gain short-wavelength FELs with nonideal magnetic systems (breaks between undulators with quadrupoles and magnetic bunchers; field and steering errors). Both self-amplified spontaneous emission (SASE) and external input signal options can be treated. A typical run for a UV FEL, several gain lengths long, takes only one minute on a Pentium II personal computer (333 MHz) which makes it possible to run the code in optimization loops. Results for the Advanced Photon Source FEL project are presented

Flame-Retardant and Tensile Properties of Polyamide 12 Processed by Selective Laser Sintering

This research was funded by the European Regional Development Fund within Measure 1.1.1.1 “Industry-Driven Research” of the Specific aid objective 1.1.1 “To increase the research and innovation capacity of scientific institutions of Latvia and their ability to attract external funding by investing in human resources and infrastructure” of the Operational Program “Growth and Employment” (Project No. 1.1.1.1/19/A/143). A.S. and A.Z. are grateful to funding received from the European Union Horizon 2020 Framework programme H2020-WIDESPREAD-01-2016-2017-TeamingPhase2 under grant agreement No. 739508, project CAMART2.Composite materials are becoming widely applied in fire-critical conditions such as, e.g., aviation interior parts. Environmental considerations motivate the use of additive manufacturing due to the decrease of polymer wastes, and therefore additional fuel sources. The aim of this work was to evaluate the effect of printing direction on flame retardancy and the tensile properties of 3D-printed test samples of polyamide 12 manufactured by selective laser sintering. The effects of printing parameters on the flammability of 3D-printed samples were investigated using vertical burn tests with varied specimen thicknesses and printing directions. It was found that these effects were substantial for the flammability at a low thickness of the test samples. No significant effects of printing direction were revealed for the tensile characteristics of polyamide 12. © 2022 by the authors. Licensee MDPI, Basel, Switzerland.ERDF project 1.1.1.1/19/A/143; Institute of Solid-State Physics, University of Latvia has received funding from the European Union's Horizon 2020 Framework Pro gramme H2020-WIDESPREAD-01-2016-2017-Teaming Phase 2 under grant agreement No. 739508, project CAMART2.

Some practical aspects of undulator radiation properties

It is important to be able to accurately predict the spectral and angular distribution of undulator radiation properties when designing beamlines; at new synchrotron radiation facilities or when performing radiation experiments at already existing beamlines. In practice, the particle beam emittance and beam energy spread must be taken into account in modeling these properties. The undulators fabricated today are made with small RMS phase errors, making them perform almost as, ideal devices. Calculation tools for numerical modeling of undulator radiation sources (ideal and nonideal) will be discussed, and the excellent agreement with experimentally obtained absolute spectral flux measurements of undulator A at the Advanced Photon Source verifies the high accuracy of the computer codes and the high quality of the undulators being built today. Our focus here is on flux properties useful in practical beamline designs, and the chosen examples demonstrate the versatility of computer programs available to beamline designers and experimentalists

On-Axis Brilliance and Power of In-Vacuum Undulators for the Advanced Photon Source.

A request for studying the spectral performance of in-vacuum undulators (IVUs) for the APS storage ring was recently put forward. In-vacuum undulators are prevalent at other synchrotron radiation facilities such as the ESRF and the Spring-8. However, they never made it into the arsenal of undulators at the APS because the brilliance tuning curves were sufficiently wide due to the fact that the undulator minimum gap could be set as low as 10.5 mm. For sector 3, which in the past used a narrow-gap vacuum chamber, the minimum undulator pole gap was allowed to be set as low as 8.5 mm, providing contiguous tuning curves between the first and third harmonic radiation for a 2.7-cm-period device. (Subsequently, the narrow-gap vacuum chamber was removed and replaced with a standard vacuum chamber, which allows a minimum gap of 10.5 mm.) For sector 4, which currently holds the only narrow-gap vacuum chamber at the APS, the minimum gap is 9.5 mm. In this sector, a permanent magnet hybrid undulator with SmCo magnets is used instead of NdFeB magnets because of their higher radiation resistance and their better protection against radiation-induced demagnetization of the magnets. In the realm of looking to the future, new concepts and technologies are being revisited. Most notable is the superconducting undulator (SCU) technology, which provides the ultimate highest magnetic field of any technology and design. The SCU program has been ongoing at the APS for several years and substantial progress has been made.3,4 However, the in-vacuum undulators may bridge some of the user demands, and it is therefore worthwhile revisiting their potential at the APS. In this work, the following were assumed or required: (1) the smallest in-vacuum beam-stay-clear gap is 5.0 mm, (2) a beam-liner of 2 x 0.060 mm, which increases the pole gap by the same amount, (3) both NdFeB and SmCo magnets shall be studied, even though SmCo magnets are the preferred choice for very small gaps, (4) compare the in-vacuum undulators with superconducting NbTi undulators with a wall thickness/space of 2 x 1.0 mm, and (5) all undulators will have an effective magnetic length of 2.4 m. Three short undulator period lengths were chosen somewhat arbitrary and studied. We will compare the performance of undulators with period lengths of 2.5 cm and 2.0 cm to one with a 1.6-cm period, which is the chosen period length of the first designed and tested short-length SCU for the APS. Additionally, we will make comparisons with the undulator A, which has a period length of 3.3 cm

Design considerations for the magnetic system of a prototype x-ray free-electron laser

A number of difficult technical challenges need to be solved in the fields of accelerator and free-electron laser (FEL) technologies in order to build an X-ray FEL. One of the tasks well suited to the Advanced Photon Source Low Energy Undulator Test Line (LEUTL) is to take the intermediate step of solving some of the problems of single-pass FEL operation in the ultraviolet range. The existing Advanced Photon Source (APS) linac, in addition to its role of supply positrons for the APS storage ring, will also be used to generate the particle beam for the LEUTL. Here, the design of the magnetic system for the high gain soft x-ray free electron laser is described

MULTI-DIMENSIONAL FREE-ELECTRON LASER SIMULATION CODES: A COMPARISON STUDY*

Abstract A self-amplified spontaneous emission (SASE) free-electron laser (FEL) is under construction at the Advanced Photon Source (APS). Five FEL simulation codes were used in the design phase: GENESIS, GINGER, MEDUSA, RON, and TDA3D. Initial comparisons between each of these independent formulations show good agreement for the parameters of the APS SASE FEL

Multi-dimensional free-electron laser simulation codes : a comparison study.

A self-amplified spontaneous emission (SASE) free-electron laser (FEL) is under construction at the Advanced Photon Source (APS). Five FEL simulation codes were used in the design phase: GENESIS, GINGER, MEDUSA, RON, and TDA3D. Initial comparisons between each of these independent formulations show good agreement for the parameters of the APS SASE FEL