bluuebunny/crossref_metadata_2025 huggingface dataset:
Identification of a multi-dimensional reaction coordinate for crystal nucleation in Ni3Al
Authors: Liang Yanyan , Díaz Leines Grisell , Drautz Ralf , Rogal Jutta
Published: June 2020

Nucleation during solidification in multi-component alloys is a complex process that comprises competition between different crystalline phases as well as chemical composition and ordering. Here, we combine transition interface sampling with an extensive committor analysis to investigate the atomistic mechanisms during the initial stages of nucleation in Ni3Al. The formation and growth of crystalline clusters from the melt are strongly influenced by the interplay between three descriptors: the size, crystallinity, and chemical short-range order of the emerging nuclei. We demonstrate that it is essential to include all three features in a multi-dimensional reaction coordinate to correctly describe the nucleation mechanism, where, in particular, the chemical short-range order plays a crucial role in the stability of small clusters. The necessity of identifying multi-dimensional reaction coordinates is expected to be of key importance for the atomistic characterization of nucleation processes in complex, multi-component systems.
Chemical bath deposition of aluminum doped zinc sulfide thin films using non-toxic complexing agent: Effect of aluminum doping on optical and electrical properties
Authors: Maria Kazi Hanium , Sultana P. , Asfia M. B.
Published: June 2020

Zinc sulfide (ZnS) and aluminum doped zinc sulfide (ZnS:Al) thin films have been prepared by chemical bath deposition onto glass substrates at 85 °C using non-toxic complexing agents by varying the Al concentration between 0 wt. % and 18 wt. %. The ZnS and ZnS:Al thin films exhibited a hexagonal wurtzite crystal structure and showed (008) preferential orientation. The Field Emission Scanning Electron Microscope (FESEM) images of the film showed that the glass substrate was nicely covered by compact and dense mosaic like nanostructures. The elemental composition of ZnS and ZnS:Al thin films was measured by energy dispersive x-ray spectroscopy. X-ray photoelectron spectroscopy (XPS) demonstrates the doping of Al into ZnS. From the XPS spectra, the binding energy (BE) values were observed to shift toward the lower BE side for increasing aluminum content. Raman spectra were obtained for the undoped and Al doped ZnS films, which exhibit first-order phonon modes at 328.33 cm−1 and 341.66 cm−1 for the A1/E1 longitudinal optical phonons, and the bands at 253.33 cm−1 and 263.33 cm−1 revealed longitudinal optical phonon–plasmon coupled modes. UV–visible spectrophotometric measurement showed that approximately 70%–80% transmission happened in the visible to near infrared region, with a direct allowed bandgap in the range of 3.52 eV–3.76 eV. A maximum transmittance of 80% was observed for 6 wt. % Al doped ZnS thin films, and the absorption edge shifted toward the blue spectrum region. ZnS and ZnS:Al thin films showed n-type electrical conductivity with carrier concentrations varying from 1.55 × 1017/cm3 to 3.13 × 1017/cm3. Resistivity of the ZnS:Al thin films was decreased with the increase in Al concentration.
Mutual interference induced by single event effects in CMOS circuits
Authors: Ding Lili , Chen Wei , Wang Tan , Zhang Fengqi , Luo Yinhong , Yang Guo-Qing
Published: June 2020

Single event effect (SEE) induced mutual interference in CMOS circuits, including single event (SE) induced coupling effects (crosstalk) and modulation in local supply voltage on power-supply rails, was studied based on the increase in metal interconnect density. The dependence of SE vulnerability on metal interconnects was experimentally investigated using heavy ions and pulsed laser. Numerical simulation was performed to evaluate the modulation in local supply voltage induced by SEEs. Two groups of test structures with various metal interconnects between well contacts and the first metal layer were designed and fabricated. All other parts, including well contacts in the active regions, are of the same structures. Experimental results show that the upset cross section decreases with an increase in metal interconnect contact (CT) density between the active region and the first metal layer, suggesting a dominant contribution of rail voltage drop induced by charge sharing rather than SE-induced crosstalk. The differences in upset cross sections with cells of different CT hole densities appear the most evident ones under low frequency and high linear energy transfer value conditions. When transient-induced upsets play a more important role, the differences get weakened due to masking effects.
General practitioner identification and retention for people with spinal cord damage: establishing factors to inform a general practitioner satisfaction measure
Authors: Lakhani Ali , Watling David P. , Duncan Ross , Grimbeek Peter , Harre Peter , Stocker Jos , Parekh Sanjoti
Published: June 2020

People with spinal cord damage (SCD) report a high level of GP use. There is a dearth of research investigating factors that contribute to GP identification and retention for people with SCD. Furthermore, a GP satisfaction measure developed specifically for people with SCD is non-existent. This preliminary study sought to identify factors contributing to GP identification and retention. A total of 266 people with SCD primarily based in Queensland, Australia, completed a cross-sectional survey that aimed to fill these knowledge gaps. Descriptive statistics and correlational analyses clarified the factors contributing to GP identification and GP retention respectively. An exploratory factor analysis utilising the principal components analysis method clarified a set of items that could underpin key domains for a SCD-specific GP satisfaction measure. The findings confirm that knowledge about SCD, physically accessible services, and trust are seminal considerations aligned with GP identification and retention for people with SCD.
Climatic correlates of migrant Natal long-fingered bat (Miniopterus natalensis) phenology in north-eastern South Africa
Authors: Pretorius Mariëtte , Broders Hugh , Seamark Ernest , Keith Mark
Published: June 2020

Abstract
ContextFor migratory animals, particularly those with long generation times, changing weather patterns may cause a mismatch between periods of expected and actual resource availability, termed phenological mismatch. The cave-dwelling Natal long-fingered bat (Miniopterus natalensis) is a regional migrant within South Africa for which the (hitherto unknown) phenology of migration may be affected by climate.
AimsTo investigate the migration phenology of the Natal long-fingered bat in relation to climate at a maternity cave in South Africa.
MethodsFive years (2014–18) of echolocation data from a maternity cave site in Limpopo, South Africa, were studied. Separate stepwise General Linear Models (GLMs) were constructed for each season using photoperiod, minimum temperature, dew point, rainfall, barometric pressure, humidity and maximum wind speed. Arrival and departure dates among years were also compared.
Key resultsPhotoperiod had the greatest effect on the magnitude of Natal long-fingered bat phenological patterns in activity across all seasons. Although spring (September - November) arrival at the maternity site was variable across years, summer departure dates did not differ, resulting in a shorter breeding period in the 2017–18 sample year. During the 2016–17 sample year, the magnitude of Natal long-fingered bat activity was significantly lower than in other years, which coincided with El Niño-induced drought conditions and likely impacted resources and led to a reduction in activity and population size.
ConclusionsPhotoperiod is a strong predictive cue of the phenology of migration of the Natal long-fingered bat and likely cues migration for this species. The narrow departure dates of these bats from the maternity site supports these results.
ImplicationsThe present study indicates that Natal long-fingered bats use photoperiod as a migration cue and do not appear to shift their spring–summer breeding season, likely making them vulnerable to phenological mismatch and population decline. The research highlights the need for systematic population monitoring for the Natal long-fingered bat.
Living with the enemy: a threatened prey species coexisting with feral cats on a fox-free island
Authors: Miritis Vivianna , Rendall Anthony R. , Doherty Tim S. , Coetsee Amy L. , Ritchie Euan G.
Published: June 2020

Abstract
ContextFeral domestic cats (Felis catus) have contributed to substantial loss of Australian wildlife, particularly small- and medium-sized terrestrial mammals. However, mitigating cat impacts remains challenging. Understanding the factors that facilitate coexistence between native prey and their alien predators could aid better pest management and conservation actions.
AimsWe estimated feral cat density, examined the impact of habitat cover on long-nosed potoroos (Potorous tridactylus tridactylus), and assessed the spatial and temporal interactions between cats and potoroos in the ‘Bluegums’ area of French Island, south-eastern Australia.
Materials and methodsWe operated 31 camera stations across Bluegums for 99 consecutive nights in each of winter 2018 and summer 2018/19. We used a spatially explicit capture–recapture model to estimate cat density, and two-species single-season occupancy models to assess spatial co-occurrence of cats and potoroos. We assessed the influence of vegetation cover and cat activity on potoroo activity by using a dynamic occupancy model. We also used image timestamps to describe and compare the temporal activities of the two species.
Key resultsBluegums had a density of 0.77 cats per km2 across both seasons, although this is a conservative estimate because of the presence of unidentified cats. Cats and long-nosed potoroos were detected at 94% and 77% of camera stations, respectively. Long-nosed potoroo detectability was higher in denser vegetation and this pattern was stronger at sites with high cat activity. Cats and potoroos overlapped in their temporal activity, but their peak activity times differed.
Conclusions Feral cat density at Bluegums, French Island, is higher than has been reported for mainland Australian sites, but generally lower than in other islands. Long-nosed potoroos were positively associated with cats, potentially indicating cats tracking potoroos as prey or other prey species that co-occur with potoroos. Temporal activity of each species differed, and potoroos sought more complex habitat, highlighting possible mechanisms potoroos may use to reduce their predation risk when co-occurring with cats.
ImplicationsOur study highlighted how predator and prey spatial and temporal interactions, and habitat cover and complexity (ecological refuges), may influence the ability for native prey to coexist with invasive predators. We encourage more consideration and investigation of these factors, with the aim of facilitating more native species to persist with invasive predators or be reintroduced outside of predator-free sanctuaries, exclosures and island safe havens.
Enriched East Asian oxygen isotope of precipitation indicates reduced summer seasonality in regional climate and westerlies
Authors: Chiang John C. H. , Herman Michael J. , Yoshimura Kei , Fung Inez Y.
Published: June 2020

Speleothem oxygen isotope records over East Asia reveal apparently large and rapid paleoclimate changes over the last several hundred thousand years. However, what the isotopic variation actually represent in terms of the regional climate and circulation is debated. We present an answer that emerges from an analysis of the interannual variation in amount-weighted annual δ
18
O of precipitation over East Asia as simulated by an isotope-enabled model constrained by large-scale atmospheric reanalysis fields.
18
O-enriched years have reduced summer seasonality both in terms of precipitation isotopes and in the large-scale circulation. Changes occur between June and October, where the δ
18
O of precipitation (δ
18
O
p
) transitions from the isotopically heavier winter to the lighter summer regime. For
18
O-enriched years, this transition is less pronounced. Variations in precipitation amount alone are insufficient to explain the amount-weighted annual δ
18
O
p
between
18
O-enriched and
18
O-depleted years. Reduced summer seasonality is also expressed in the low-level monsoonal southerlies and upper-level westerlies; for the latter, the northward migration across the Tibetan Plateau in the summer is less pronounced. Our result thus implicates the westerlies across the plateau as the proximate cause of East Asian paleomonsoon changes, manifested as a modulation of its summer peak.
Microribbons composed of directionally self-assembled nanoflakes as highly stretchable ionic neural electrodes
Authors: Zhang Mingchao , Guo Rui , Chen Ke , Wang Yiliang , Niu Jiali , Guo Yubing , Zhang Yong , Yin Zhe , Xia Kailun , Zhou Binghan , Wang Huimin , He Wenya , Liu Jing , Sitti Metin , Zhang Yingying
Published: June 2020

Significance

Direct-ink writing has been attracting significant attention as a three-dimensional printing method while symmetric structures can be mainly printed when a single ink is used. Here, we present the formation of asymmetric microstructures during printing and ink drying, induced by a symmetry-breaking self-assembly process of aligned two-dimensional nanoflakes in the viscous polymer matrix. The obtained structural variation in the printed microribbons can be controlled in a reproducible and standardizable manner by tuning the rheological properties of the printing ink. We further demonstrated the spontaneous transformation of as-printed microribbons to ultrastretchable springs upon stimulation that show superior nanoscale ionic transport behavior as soft and highly stretchable neural electrodes.
PRN Medication Events in a Forensic Psychiatric Hospital: A Document Analysis of the Prevalence and Reasons
Authors: Hipp Kirsi , Repo-Tiihonen Eila , Kuosmanen Lauri , Katajisto Jouko , Kangasniemi Mari
Published: June 2020

The aim of this study was to describe and explain the prevalence and reasons for as needed medication (pro re nata, PRN) in a forensic psychiatric hospital. We reviewed the documents of 67 long-term inpatients (87% male) over the one-year study period and identified 8626 PRN events. Virtually all of the patients received PRN for physical reasons, just over half for psychiatric reasons, and just over one-third for insomnia. The number of PRN events per patient was unevenly distributed. The prevalence of PRN events for both psychiatric reasons (26%) and insomnia (14%) were associated with the female gender, more severe psychiatric symptoms, and lower daily functioning. Half of the patients did not receive PRN for psychiatric reasons. It is likely that the use of such medication was successfully mitigated with scheduled medication and psychosocial approaches. The high number of PRN events for physical reasons (60%) was not explained by the patient characteristics and urgent research is needed on this aspect. Protracted PRN use should be recognized in clinical practice, and consider more structured solutions to develop PRN protocols and evidence-based care. Future research should examine how PRN is integrated with patients’ regular treatment and non-pharmacological methods.
How hot are single cells?
Authors: Balaban Robert S.
Published: June 2020

Large changes in energy metabolism are associated with minimal alterations in surface temperature of isolated mammalian cells.
Single-shot temporal characterization of XUV pulses with duration from ∼10 fs to ∼350 fs at FLASH
Authors: Ivanov Rosen , Bermúdez Macias Ivette J , Liu Jia , Brenner Günter , Roensch-Schulenburg Juliane , Kurdi Gabor , Frühling Ulrike , Wenig Katharina , Walther Sophie , Dimitriou Anastasios , Drescher Markus , Sazhina Irina P , Kazansky Andrey K , Kabachnik Nikolay M , Düsterer Stefan
Published: June 2020

Ultra-short extreme ultraviolet pulses from the free-electron laser FLASH are characterized using terahertz-field driven streaking. Measurements at different ultra-short extreme ultraviolet wavelengths and pulse durations as well as numerical simulations were performed to explore the application range and accuracy of the method. For the simulation of streaking, a standard classical approach is used which is compared to quantum mechanical theory, based on strong field approximation. Various factors limiting the temporal resolution of the presented terahertz streaking setup are investigated and discussed. Special attention is paid to the cases of very short (∼10 fs) and long (up to ∼350 fs) pulses.
A novel calibration method for ball joint position in a posture adjustment system
Authors: Chu Wenmin , Huang Xiang , Li Shuanggao
Published: June 2020

In posture adjustment systems for large components of aircraft (LCA), composed of several numerical control locators (NCLs), the position deviation of the ball joint (BJ) connecting the LCA to the NCL is an important factor affecting the adjustment accuracy of LCA. Due to manufacturing and installation errors, it is impossible to calculate the precise position of the ball joint center (BJC) relative to the LCA via theoretical design models. To address this problem, a novel calibration method of the BJC position is proposed in this paper. Firstly, the influence of the position deviation of the BJC on the posture adjustment precision of the LCA is studied. Secondly, the calculation model of the BJC position is established in accordance with the relationship between the Z-axle displacement of the NCL and the position and posture variation of the LCA after each NLC rise. Thirdly, based on this model, the uncertainty of the BJC calibration is analyzed by Monte Carlo simulation. Finally, a simulated posture adjustment system, built in the laboratory and the BJC position is calibrated, using the method of force-position hybrid control (FPHC). The experimental results show that, compared with the conventional calibration method, the method proposed in this paper can calibrate the BJC position more accurately, and can greatly improve the precision of posture adjustment.
Highly transparent and conductive electrodes enabled by scalable printing-and-sintering of silver nanowires
Authors: Li Weiwei , Yarali Emre , Bakytbekov Azamat , Anthopoulos Thomas D , Shamim Atif
Published: June 2020

Silver nanowires (Ag NWs) have good promised for flexible and transparent electronics. However, It remains an open question on how to achieve large-scale printing of Ag NWs with high optical transparency, electrical conductivity, and mechanical durability for practical applications, though extensive research has been conducted for more than a decade. In this work, we propose a possible solution that integrates screen printing of Ag NWs with flash-light sintering (FLS). We demonstrate that the use of low-concentration, screen-printable Ag NW ink enables large-area and high-resolution patterning of Ag NWs. A critical advantage comes from the FLS process that allows low-temperature processing, short operational time, and high output rate—characteristics that fit the scalable manufacturing. Importantly, we show that the resultant Ag NW patterns feature low sheet resistance (1.1–9.2 Ohm sq−1), high transparency (75.2–92.6%), and thus a remarkable figure of merit comparable to state of the art. These outstanding properties of Ag NW patterns, together with the scalable fabrication method we propose, would facilitate many Ag NW-based applications, such as transparent heaters, stretchable displays, and wearable devices; here, we demonstrate the novel design of flexible and transparent radio frequency 5G antennas.
Spoof surface plasmon polaritons excited leaky-wave antenna with continuous scanning range from endfire to forward
Authors: Zhong Tao , Zhang Hou
Published: June 2020

A novel leaky-wave antenna (LWA) utilizing spoof surface plasmon polaritons (SSPPs) excitation is proposed with continuous scanning range from endfire to forward. The designed transmission line unit supports two SSPPS modes, of which the 2nd order mode is applied in the design. A novel strategy has been devised to excite the spatial radiation of the –1st order harmonics by arranging periodic counter changed sinusoidal structures on both sides of the SSPPs transmission line. Both full-wave simulation and measurement results show that the proposed LWA presents wide scanning angle from endfire to forward. In the frequency range from 4 GHz to 10 GHz, LWAs achieve scanning from 90° to +20°, covering the entire backward quadrant continuously.
Effects of water on the structure and transport properties of room temperature ionic liquids and concentrated electrolyte solutions*
Authors: Zhang Jinbing , Wang Qiang , Cao Zexian
Published: June 2020

Transport properties and the associated structural heterogeneity of room temperature aqueous ionic liquids and especially of super-concentrated electrolyte aqueous solutions have received increasing attention, due to their potential application in ionic battery. This paper briefly reviews the results reported mainly since 2010 about the liquid–liquid separation, aggregation of polar and apolar domains in neat RTILs, and solvent clusters and 3D networks chiefly constructed by anions in super-concentrated electrolyte solutions. At the same time, the dominating effect of desolvation process of metal ions at electrode/electrolyte interface upon the transport of metal ions is stressed. This paper also presents the current understanding of how water affects the anion–cation interaction, structural heterogeneities, the structure of primary coordination sheath of metal ions and consequently their transport properties in free water-poor electrolytes.
Pre-warning information dissemination models of different media under emergencies*
Authors: Chen Anying , Zhu Haoran , Ni Xiaoyong , Su Guofeng
Published: June 2020

Pre-warning plays an important role in emergency handling, especially in urban areas with high population density like Beijing. Knowing the information dissemination mechanisms clearly could help us reduce losses and ensure the safety of human beings during emergencies. In this paper, we propose the models of pre-warning information dissemination via five classical media based on actual pre-warning issue processes, including television, radio, short message service (SMS), electronic screens, and online social networks. The population coverage ability and dissemination efficiency at different issue time of these five issue channels are analyzed by simulation methods, and their advantages and disadvantages are compared by radar graphs. Results show that SMS is the most appropriate way to issue long-term pre-warning for its large population coverage, but it is not suitable for issuing urgent warnings to large population because of the limitation of telecom company’s issue ability. TV shows the best performance to combine the dissemination speed and range, and the performance of radio and electronic screens are not as satisfactory as the others. In addition, online social networks might become one of the most promising communication method for its potential in further diffusion. These models and results could help us make pre-warning issue plans and provide guidance for future construction of information diffusion systems, thus reducing injuries, deaths, and other losses under different emergencies.
Suppression of auto-resonant stimulated Brillouin scattering in supersonic flowing plasmas by different forms of incident lasers*
Authors: Ban S S , Wang Q , Liu Z J , Zheng C Y , He X T
Published: June 2020

In supersonic flowing plasmas, the auto-resonant behavior of ion acoustic waves driven by stimulated Brillouin backscattering is self-consistently investigated. A nature of absolute instability appears in the evolution of the stimulated Brillouin backscattering. By adopting certain form of incident lights combined by two perpendicular linear polarization lasers or polarization rotation lasers, the absolute instability is suppressed significantly. The suppression of auto-resonant stimulated Brillouin scattering is verified with the fully kinetic Vlasov code.
Photoresponse studies of Ar and K
+ confined in neutral and charged Fullerenes
Authors: Thuppilakkadan A , Varma H R
Published: June 2020

Synopsis

The present work we study the photoresponse of isoelectronic systems (IES) such as Ar and K+
when they are confined inside neutral and charged fullerenes. The nature of the external cage (charged or neutral) play a significant role in determining the photoionization parameters along these isoelectronic members.
Ultrafast Structural Changes in Chiral Molecules Measured with Free-Electron Lasers
Authors: Schmidt P , Music V , Hartmann G , Boll R , Erk B , Bari S , Allum F , Baumann T M , Brenner G , Brouard M , Burt M , Coffee R , Dörner S , Galler A , Grychtol P , Heathcote D , Inhester L , Kazemi M , Larsson M , Lee J , Li Z , Lutmann A , Manschwetus B , Marder L , Mason R , Moeller S , Osipov T , Otto H , Passow C , Rolles D , Rupprecht P , Schubert K , Schwob L , Thomas R , Vallance C , von Korff Schmising C , Wagner R , Walter P , Wolf T J A , Zhaunerchyk V , Meyer M , Ehresmann A , Knie A , Demekhin Ph V , Ilchen M
Published: June 2020

Synopsis

(X-ray) free-electron lasers are employed to site specifically interrogate atomic fragments during ultra-fast photolysis of chiral molecules via time-resolved photoelectron circular dichroism.
Excitation of vibrationally-excited ultralong-range strontium Rydberg molecules in quantum gases
Authors: Ding R , Whalen J D , Kanungo S K , Killian T C , Dunning F B , Yoshida S , Burgdörfer J
Published: June 2020

Synopsis

The photoexcitation rate for ultralong-range Rydberg molecules is sensitive to the initial spatial sepa-ration of the atoms from which they are formed. Here we explore the photoexcitation of different molecular vibrational states as a probe of spatial correlations in a cold atomic gas.
Modeling ultracold lithium ion-atom collision
Authors: Pandey A , Niranjan M , Joshi N , Rangwala S A , Dulieu O
Published: June 2020

Synopsis

Accurate estimation of the scattering properties at the ultracold temperatures is challenging due to the demand for the precise knowledge of interactions between the colliding partners. We identify the aspects of interactions that play the defining roles in the scattering calculations. We compute potential energy curves for the 7Li+-7Li, X2∑g
+ and A2∑u
+, and determine their collisional properties.
Mutual Neutralization in Cl− + C+ Collisions
Authors: Hedvall P , Larson  , Orel A E
Published: June 2020

Synopsis

The mutual neutralization reaction of Cl− + C+ → Cl + C is studied from first principles. The cross section and the thermal rate coefficient are calculated for low collision energies, and the effect of spin-orbit coupling is estimated using a semi-empirical method. Recent experiment has measured a thermal rate coefficient [1], which allows for a comparison between theoretical and experimental studies of the reaction.
Ionization of large helium nanodroplets
Authors: Lundberg L , Laimer F , Martini P , Kranabetter L , Tiefenthaler L , Albertini S , Zappa F , Gatchell M , Scheier P
Published: June 2020

Synopsis

We have produced and mass-selected large, highly charged helium droplets containing up to 1010 He atoms and several tens of charges. They are stable with both multiple positive and negative charge carriers and are stabilized by losing small fragments of excess charge instead of disintegrating (highly asymmetric fission).
A linear polar molecule in a two-color laser field: a symmetry analysis
Authors: Mellado-Alcedo D , Quintero N R , González-Férez R
Published: June 2020

Synopsis

We describe the field-dressed rotational dynamics of a linear polar molecule in a a non-resonant two-color cw laser field, and analyze the orientation and alignment as the field parameters are varied.
Oscillator strengths and integral cross sections of the valence-shell excitations of HCl studied by fast electron scattering
Authors: Xu Y-C , Du X-J , Liu Y-W , Zhu L-F
Published: June 2020

Synopsis

Oscillator strengths and integral cross sections (ICSs) of HCl are of great importance for the understanding of many different aspects of atmospheric physics. Based on the generalized oscillator strengths (GOSs) of the valence-shell excitations of HCl measured by the high-energy electron scattering, the optical oscillator strengths (OOSs) have been obtained by extrapolating the GOSs to the limit of the squared momentum transfer K2 → 0. Furthermore, the ICSs of the valence-shell excitations from the threshold to 5000 eV have been obtained systematically with the aid of the BE-scaling method.
Energy levels structure of Pr II - Gd II ions
Authors: Radžiūtė L , Gaigalas G , Rynkun P , Kato D , Tanaka M
Published: June 2020

Synopsis

Observations of a kilonova associated with GW170817 provide a unique opportunity to study heavy element synthesis in the universe. However, the atomic data of r-process elements are not yet complete enough to decipher the light curves and spectral features of kilonovae. We performed extended atomic calculations for singly ionized elements with Z = 59 – 64, by employing GRASP2K package. These computations are based on strategies of Nd II published in [1]. Accuracy of data is evaluated by comparing computed energy levels with the NIST database and other authors.
Development of the numerical Hartree-Fock method for screened atoms with Debye-Hückel potential
Authors: Jiao L G , Ma J , Ho Y K
Published: June 2020

Synopsis

The difficulties in developing the numerical Hartree-Fock programs for atoms interacting with screened Coulomb potential have been overcome. The binding energies of atoms for various screening parameters are obtained in high accuracy. C4+ ion is investigated to demonstrate the validity of our program.
Theoretical study on KLL dielectronic and higher-order recombination of boron-like isoelectronic sequence
Authors: Xie L Y , Lu S M , Zhang D H , Jiang J , Wu Z W , Dong C Z
Published: June 2020

Synopsis

The K-shell dielectronic (DR), trielectronic (TR), and quadruelectronic (QR) recombination have been systematically studied for highly charged B-like ions with Z=14-50 by using the FAC code. Strong configuration mixing are found that significant influence the Auger rate, and TR strengths, and leads to irregular changes of TR/DR strength ratio along B-like sequence.
The radiative decay process of 2s2p configuration of He-like ions
Authors: Cao M X , Ding X B , Zhang D H , Zhang M W , Xue Y L , Yu D Y , Dong C Z
Published: June 2020

Synopsis

The electron correlation effects are crucial to the two-electron one-photon transition of double K hole excited state. Appropriate correlation model was constructed to investigate this process of 11 selected He-like ions of Z from 10 to 47. Good agreement to the previous work and some new transition data were obtained.
Three-body fragmentation of CF4
3+ induced by 1 keV electron collision
Authors: Chen L , Shen Z J , Wang E L , Zhao X , Shan X , Chen X J
Published: June 2020

Synopsis

We report the investigation on three-body fragmentation of CF4
3+ induced by 1 keV electron collision utilizing an ion momentum spectrometer. With the help of coincidence measurement for three fragment ions, the channel CF4
3+→F++CF2++F+ is identified. By employing Dalitz plot and Newton diagram, a sequential path-way and a concerted pathway are uncovered, which are further separated by momentum correlation of two F+ ions. We find that the CF4
3+ fragmentation prefers a sequential pathway CF4
3+→F++CF3
2+→F++ F++CF2
+.
Concept and simulations of a high-resolution asymmetric von Hamos X-ray spectrometer for CRYRING@ESR electron cooler
Authors: Jagodziński P , Banaś D , Pajek M , Warczak A , Beyer H F , Gumberidze A , Weber G , Stohlker Th , Trassinelli M
Published: June 2020

Synopsis

A concept of a high resolution asymmetric von Hamos X-ray spectrometer for the CRYRING@ESR electron cooler is described and its characteristics obtained by ray-tracing Monte-Carlo simulations are presented. The spectrometer will be used to study the QED effects in H-like medium-Z ions by measuring the energies of X-rays from radiative recombination of highly charged ions with cooling electrons, with a ppm precision of energy determination.
Polarizabilities and tune-out wavelengths of the hyperfine ground states of 133Cs atom
Authors: Jiang J , Li X J , Wu Z W , Zhang D H , Xie L Y , Dong C Z
Published: June 2020

Synopsis

The static and dynamic electric dipole polarizabilities of the ground state and hyperfine ground states of the 133Cs have been calculated by using relativistic configuration interaction plus core polarization (RCICP) approach. The tune-out wavelengths of ground and hyperfine ground states are also determined.
Statistical process in nitrogen containing naphthalene derivatives in collision with fast electrons and protons
Authors: Najeeb P K , Vinitha V , Kala A , Bhatt P , Safvan C P , Vig S , Kadhane U
Published: June 2020

Synopsis

The effect of nitrogen substitution and isomerization in naphthalene under swift charged particle collision is investigated. The ratios of single ionization to capture cross-section are measured for the case of naphthalene and two of its nitrogen-containing derivatives. The propensity of HCN loss in quinoline and isoquinoline is shown to alter systematically from evaporation dominated to randomization dominated process in the case of monocation. The influence of plasmon excitation process in polycyclic aromatic nitrogen heterocycles (PANHs) is identified for the first time.
Virtual Laboratory Astrophysics and the STARK-B database VAMDC node: a resource for electron and ion impact widths and shifts of isolated lines
Authors: Sahal-Bréchot S , Dimitrijević M S , Moreau N
Published: June 2020

Synopsis

Stark broadening theories and calculations can now be considered as mature. The fast computers allow to calculate a great number of atomic data needed for accurate spectroscopic diagnostics and modeling, such as for stellar atmospheres and envelopes, laboratory and technological plasmas, and laser equipments. Thus the access to these data via an on line database is essential. The STARK-B database is intended to meet this need. It contains calculated widths and shifts of isolated atomic lines due to electron and ion impacts. It is still under development and will be presented at the Conference.
K-shell Photoionization of the N+, NH+ and

NH2+

ions
Authors: Mclaughlin B M , Mosniert J P , Kennedy E T , Sokell E , Bizau J M , Cubaynes D , Guilbaud S , Carniato S
Published: June 2020

Synopsis

Single and double photoionization cross-sections in the photon region straddling the nitrogen K-edge and up to photon energies of ∼450 eV, for the atomic N+ and molecular NH+ and

NH

2
+

species were measured at the SOLEIL radiation facility in Orsay, France. The measurements are compared with theoretical estimates.
R-matrix electron-impact excitation data for the C-like isoelectronic sequence
Authors: Mao J , Badnell N R
Published: June 2020

Synopsis

Emission and absorption features from C-like ions are served as temperature and density diagnostics of astrophysical plasmas. R-matrix electron-impact excitation data for C-like ions in literature cover merely a handful of ions. Here we present a systematic intermediate coupling frame transformation R-matrix calculations for C-like ions from N II to Kr XXXI. The effective collision strengths cover a wide range of temperature. Our results are compared with archival databases and literature results.
Coincidence time-of-flight mass spectrometry of electron impact on anthracene using a field programmable gate array
Authors: van der Burgt P J M , Gradziel M L
Published: June 2020

Synopsis

A new data acquisition system for electron-impact time-of-flight mass spectrometry has been set up, in which a field programmable gate array is used for the timing and the recording of mass spectra on an event by event basis. Fragmentation studies of anthracene have shown clear evidence for double ionization above 21 eV electron impact, which provides the motivation to look for coincident fragments. The first results for coincidence mass spectrometry of anthracene will be presented at the conference.
H2O single ionization by light particle-impact: fully differential cross sections
Authors: Acebal E , Otranto S
Published: June 2020

Synopsis

Fully differential cross sections for the single ionization of the 1b
1 and 3a
1 orbitals of H2O by electron- and positron-impact are calculated by means of the CDW-EIS model at an impact energy of 81 eV. A proper average procedure over molecular orientations is performed. Main differences between positron- and electron-impact are observed for coplanar geometries in the binary structures. In addition, an enhancement of the binary region and a decrease of the recoil lobe are observed for positron-impact.
Photoionization of superheavy elements
Authors: Khademhosseini R , Razavi A , Keating D A , Deshmukh P C , Manson S T
Published: June 2020

Synopsis

Calculations of the photoionization cross sections for the superheavy atoms of atomic numbers 102, 112 and 118 have been performed using the relativistic-random-phase approximation (RRPA) which is based on the Dirac equation. The results show that relativistic effects cause anomalies in level ordering for some inner shells, and that interchannel coupling is of great importance.
Electron emission in collisions between dressed ions and multielectronic targets: the role of the projectile distortion
Authors: Monti J M , Quinto M A , Rivarola R D
Published: June 2020

Synopsis

A further improvement of the CDW and CDW-EIS distorted wave models for ionization by dressed ion impact is made by taking into account the projectile form factor into the projectile distortions.
Photodouble ionization of water
Authors: Randazzo J M , Turri G , Bolognesi P. , Sugimoto H , Mathis J , Ancarani L U , Avaldi L
Published: June 2020

Synopsis

The photodouble ionization of water has been studied experimentally by photoelectron-photoelectron angular resolved coincidence experiments and theoretically by applying the Generalized Sturmian Functions approach. The measured differential cross sections present a rich angular distribution that can be, in part, reproduced by a first order treatment of the interaction considering a two active electrons target.
Ionization of rubidium by electron impact
Authors: Tőkési K , Mukoyama T
Published: June 2020

Synopsis

The cross sections for ionization by electron impact of rubidium 5s shell have been calculated by the Classical Trajectory Monte Carlo method. The kinetic energy of the projectile is in the range between 5 and 1000 eV. We compared our results with other theoretical and experimental data..
Coherence properties of the projectile’s beam: The missing piece of the C6+ + He ionization puzzle
Authors: Navarrete F , Ciappina M F , Barrachina R O
Published: June 2020

Synopsis

We analyze the influence of the coherence of the projectile’s beam in scattering phenomena. We focus our study in the ionization of He by C6+ projectiles at 100 MeV/amu. Our calculations, which had been previously performed for only the scattering and perpendicular collision planes and within the First Born approximation, were repeated for an ampler set of collision planes and with a more refined model. We obtain a very good agreement with the experimental results.
Multiple ionization effect in Dy, Ho and Er at low proton energy
Authors: Kaur M , Mohan H , Jain A K , Singh P S , Sharma S
Published: June 2020

Synopsis

The L shell X-ray production cross sections for elements (Z = 66, 67 and 68) at three different low proton energies i.e. 260, 280 and 300 keV have been investigated. Calculations are based on the ECPSSR model and its modified form i.e. ECPSSR-UA model. During calculations with ECPSSR theory, a significant phenomenon known as multiple ionization (MI) has been included. Theoretically calculated values are compared with the experimental values. The calculations with ECPSSR-MI shows improved results.
Triple differential cross sections for electron-impact ionization of atomic and molecular targets
Authors: Houamer S , Khatir T , Dal Cappello C
Published: June 2020

Synopsis

Triple differential cross section for ionization of atomic and molecular targets by electron impact is calculated using approximate three body waves. The post-collisionnal interaction (PCI) between the outgoing electrons as well as the distortion effects of the ejected electron are included. The effect of the short range potential is evenly investigated. Results are compared with available data.
Laser-induced deformation of an inner valence molecular orbital in ethanol
Authors: Akagi H , Otobe T , Itakura R
Published: June 2020

Synopsis

We reveal that an intense laser field deforms an inner valence orbital (10a′) in the ethanol molecule. Using photoelectron-photoion coincidence momentum imaging, we measure the recoil-frame photoelectron angular distribution (RFPAD) for the CD2OH+ production channel of CH3CD2OH induced by a circularly polarized intense (I
0 ≈ 8×1013 W/cm2) near-infrared (λ ≈ 795 nm) laser field. Ab initio simulations show that the orbital deformation depends strongly on the laser field direction, and that the measured RFPAD cannot be reproduced without taking the orbital deformation into account.
Enormous enhancement of molecular ionization at high x-ray intensity
Authors: Inhester L , Hao Y , Son S-K , Santra R
Published: June 2020

Synopsis

The ultra-intense and ultra-short x-ray pulses provided by X-ray Free-Electron Lasers (XFELs) sequentially ionize molecular samples many times. In this context, we have recently discovered that under intense x-ray radiation the total charge of a molecule is enhanced compared to the sum of charges of its constituent isolated atoms[2, 3]. We report here on new theoretical results[5] for iodobenzene (C6H5I) that show an even stronger ionization enhancement than previously observed for iodomethane (CH3I)[3].
Electron-induced decomposition of the coenzyme Q0
Authors: Ameixa J , Meißner R , Arthur-Baidoo E , Lochmann C , Ončák M , Beyer M K , Ferreira da Silva F , Denifl S
Published: June 2020

Synopsis

We report on the formation of anions through electron attachment to the coenzyme Q0 in the gas-phase. It represents the functional group of the electron carrier coenzyme Q10, which plays a key role in the electron transport chain in the mitochondrial complex. The parent anion is most abundantly formed in a near-zero eV resonance, presumably correlating with the electronic ground state of the molecule. This observation accounts for the ability of coenzyme Q10 to capture and transport electrons in biological processes.
Influence of ionizing radiation on molecular recognition in the gas phase: VUV and X-ray photoabsorption of antibiotic-receptor non-covalent complexes
Authors: Abdelmouleh M , Lalande M , Espinosa Rodriguez A , Vizcaino V , Rangama J , Schlathölter T , Poully J-C
Published: June 2020

Synopsis

The intrinsic effects of ionizing radiation on molecular recognition between an antibiotic and its re-ceptor have been probed by coupling a synchrotron beamline to a tandem mass spectrometer. Protonated vanco-mycin-receptor non-covalent complexes in the gas phase undergo inter-as well as intramolecular bond cleavage due to internal energy transfer after photoabsorption in the VUV-X energy range. The deprotonated complex undergoes electron detachment, but the native interactions underlying molecular recognition are not systematically lost.
Ab initio study of energy characteristics of small polyatomic molecules in threshold electron-impact dissociative ionization processes
Authors: Demes S , Remeta E
Published: June 2020

Synopsis

A joint theoretical study of electron-impact dissociative ionization (DI) processes of small polyatomic molecules is presented. Different organic (CH4 and C2H6) and inorganic (SF6 and Sn, n = 2-8) target molecules were examined. The investigated dissociative ionization processes take place at threshold energies, so our main focus is to study the appearance energies (E
ap) of different ion fragments as well as to analyse the corresponding DI reaction pathways.
Electron-impact ionization cross section calculations for 5-chloropyridine and 5-bromopyridine molecules
Authors: Żywicka B , Możejko P
Published: June 2020

Synopsis

The total cross sections for the single electron-impact ionization of 5-chloropyridine (5-C5H4ClN) and 5-bromopyridine (5-C5H4BrN) molecules have been calculated using binary-encounter-Bethe method for electron energies ranging from the ionization threshold up to 5 keV.
Energy-transfer in collisions of low velocity ions with CO molecules
Authors: Nakamura M , Ichimura A
Published: June 2020

Synopsis

The energy transfer in collisions of low velocity ions with CO molecules is theoretically investigated. Energy loss spectrum of ions scattered by CO molecules is obtained with using the classical trajectory (CT) calculation and the sudden-limit models. Both of the calculations well reproduce an experimental spectrum with a considerable accuracy. Rotational excitation is found to be principal energy transfer process from translational to internal motions.
Ionization and fragmentation of fluorene in collisions with 50-300 keV proton
Authors: Bagdia C , Tribedi L C
Published: June 2020

Synopsis

In this report, we present the study of ionization and fragmentation of fluorene (C13H10) molecule upon intermediate energy proton impact. We have measured the TOF spectra of fluorene molecule to identify various fragmentation channels. We have also measured the projectile energy dependence of single and double ionization of fluorene molecule.
Study of chiral asymmetries in the inner-shell photoionization of partially oriented trifluoro-methyloxirane
Authors: Nalin G , Grundmann S , Kastirke G , Fehre K , Trabert D , Rist J , Weller M , Waitz M , Siebert J , Vela-Perez I , Khan A , Anders N , Kircher M , Tomar R , Hofmann M , Trinter F , Küstner-Wetekam C , Marder L , Viehmann J , Fukuzawa H , Ueda K , Williams J B , Jahnke T , Dörner R , Schöffler M S
Published: June 2020

Synopsis

Photoelectron circular dichroism (PECD) was determined for O(1s) photoionization of methyloxirane (C3H6O) and trifluoro-methyloxirane (C3H3F3O). Several electron energies above the threshold were chosen to compare the partially fixed-in-space electron distributions.
Distorted wave model for sub-shell electron capture cross sections of noble gases by bare ion impact
Authors: Purkait M
Published: June 2020

Synopsis

Electron capture from noble gases (He, Ne and Ar) are investigated in the framework of the quantum-mechanical distorted wave model. In this model, we use an independent electron model taking particular care of the representation of the bound and continuum target states. The results for partial and total capture cross sections are compared with other theoretical calculations and experimental data. The present results are found to be in very good agreement with the available experimental findings.
Three-body fragmentation dynamics of CH2CCH2
3+ investigated by Ne8+ impact
Authors: Ma C , Xu S , Zhao D M , Guo D L , Yan S C , Feng W T , Zhu X L , Ma X
Published: June 2020

Synopsis

The three-body fragmentation dynamics of triply charged allene (CH2CCH2
3+) induced by 50-keV/u Ne8+ ion impact is studied by measuring the charged fragments in triple coincidence using reaction microscope. We focus on the fragmentation dynamics of two completely measured fragmentation channels, H++CH++C2H2
+ and H++CH2
++C2H+. Both concerted and sequential dissociation mechanisms are observed for these two channels. The estimation of relative contributions of different fragmentation pathways is presented.
Theoretical investigation of dissociative electron attachment (DEA) study for halogen targets
Authors: Vinodkumar M , Yadav H , Limbachiya C , Vinodkumar P C
Published: June 2020

Synopsis

Recently dissociative electron attachment (DEA) study has geared up due to its many fold applications in various fields. Here we have presented some of the results of DEA cross sections of few halogen targets of interest.