bluuebunny/crossref_metadata_2025_split huggingface dataset:
Overview of diagnostics on a small-scale RF source for fusion (ROBIN) and the one planned for the diagnostic beam for ITER
Authors: Bandyopadhyay M. , Singh M. J. , Pandya K. , Bhuyan M. , Tyagi H. , Bharathi P. , Shah Sejal , Chakraborty A. K. 
Published: February 2022

India is responsible for the supply of diagnostic neutral beam systems for ITER to diagnose its helium ash during the deuterium–tritium plasma phase using the charge exchange recombination spectroscopy technique. Considering the many first of its kind in terms of technologies and beam development aspects, ITER Indian domestic agency has adopted a strategy of developing the technology and beam experimentation in parallel. On the beam development front three test beds, namely, the ROBIN (Rf Operated Beam source in India for Negative ion research), the TWIN (TWo rf driver-based Indigenously built Negative ion source), and the INTF (INdian Test Facility) are presently in their various phases of operation, optimization, and setting up at IPR, respectively. Experiments related to plasma production, beam production, and acceleration up to 30 keV in volume and surface mode have been performed on ROBIN. The maximum negative hydrogen ion current density to a tune of 27 mA/cm2 is obtained in the surface mode with Cs injection. Optimal source performance requires optimal surface conditions, minimum impurities, careful characterization of the plasma, cesium feed and its redistribution, and optimal wall temperatures of the surfaces of the plasma box and the plasma grid. A combination of probe, optical, vacuum, laser based, electrical, and calorimetric diagnostic measurements enables such a control. At ROBIN, the above diagnostics are being used regularly. The operational and diagnostic experiences on ROBIN shall provide the desired experience and database for operations of TWIN and INTF in the coming years. A large number of conventional and advanced diagnostic techniques are used for plasma and beam characterization. These diagnostics are suitable not only to detect and understand the plasma but also for studies related to impurity evolution. The temporal evolution of impurities significantly impacts the plasma and beam properties. The studies help in establishing correlations between physical parameters and operational parameters to optimize the source performance ensuring adequate safety and investment protection. This paper will present a brief overview of various diagnostics implemented, lessons learned, and the results obtained from ROBIN. In addition, an outline of the diagnostics planned for INTF based on the experience and understandings developed during the present experiments on ROBIN and TWIN and considering the requirements of large systems shall be discussed.
Single and sequential double ionization of NO radical in intense laser fields
Authors: Fukahori Shinichi , Iwasaki Atsushi , Yamanouchi Kaoru , Hasegawa Hirokazu 
Published: February 2022

We examine the dependences of the single and double ionization probabilities of NO radical on the angle between the NO axis and the laser polarization direction in an intense laser field (790 nm, 100 fs, 1–10 × 1014 W/cm2) and show that the double ionization is enhanced when the NO axis is parallel to the laser polarization direction. We reveal that the angular dependence of the sequential double ionization probability is determined by the shape of the 5σ orbital of NO+ from which the second photoelectron is emitted in the ionization from NO+ to NO2+. We also reveal that the fast oscillation in the probability of the tunnel ionization of NO originating from a coherent superposition of the two spin–orbit components in the electronic ground X2Π state is described well based on the molecular Ammosov-Delone-Krainov (MO-ADK) theory in which the time evolution of the electron density distribution of the 2π orbital is taken into account.
Vertical ionization potential benchmark for unitary coupled-cluster and algebraic-diagrammatic construction methods
Authors: Dempwolff Adrian L. , Hodecker Manuel , Dreuw Andreas 
Published: February 2022

The performance of several methods for the calculation of vertical ionization potentials (IPs) or, more generally, electron-detachment energies based on unitary coupled-cluster (UCC) theory and the algebraic-diagrammatic construction (ADC) scheme is evaluated with respect to benchmark data computed at the level of equation-of-motion coupled-cluster theory, including single, double, and triple excitations (IP-EOM-CCSDT). Based on a statistical evaluation of about 200 electron-detached states of 41 molecules, the second-order methods IP-ADC(2) and IP-UCC2 show modest accuracies with IP-EOM-CCSDT as reference, exposing a mean signed error and a standard deviation of the error of −0.54 ± 0.50 and −0.49 ± 0.54 eV, respectively, accompanied by a mean absolute error (MAE) of 0.61 and 0.58 eV, respectively. The strict third-order IP-ADC method demonstrates an accuracy of 0.26 ± 0.35 eV (MAE = 0.35 eV), while the IP-UCC3 method is slightly more accurate with 0.24 ± 0.26 eV (MAE = 0.29 eV). Employing the static self-energy computed using the Dyson expansion method (DEM) improves the IP-ADC(3) performance to 0.27 ± 0.28 eV, with the mean absolute error of this method being 0.32 eV. However, employing the simpler improved fourth-order scheme Σ(4+) for the static self-energy provides almost identical results as the DEM. Based on the quality of the present benchmark results, it therefore appears not necessary to use the computationally more demanding DEM.
A hyperpromiscuous antitoxin protein domain for the neutralization of diverse toxin domains
Authors: Kurata Tatsuaki , Saha Chayan Kumar , Buttress Jessica A. , Mets Toomas , Brodiazhenko Tetiana , Turnbull Kathryn J. , Awoyomi Ololade F. , Oliveira Sofia Raquel Alves , Jimmy Steffi , Ernits Karin , Delannoy Maxence , Persson Karina , Tenson Tanel , Strahl Henrik , Hauryliuk Vasili , Atkinson Gemma C. 
Published: February 2022

Significance
Toxin–antitoxin systems are enigmatic and diverse elements of bacterial and bacteriophage genomes. We have uncovered remarkable versatility in an antitoxin protein domain that has evolved to neutralize dozens of different toxin domains. We find that antitoxins carrying this domain—Panacea—form complexes with their cognate toxins, indicating a direct neutralization mechanism, and that Panacea can be evolved to neutralize a noncognate and nonhomologous toxin with just two amino acid substitutions. This raises the possibility that this domain could be an adaptable universal or semi-universal protein neutralizer with significant biotechnological and medical potential.
Epigenetic state determines inflammatory sensing in neuroblastoma
Authors: Wolpaw Adam J. , Grossmann Liron D. , Dessau Jessica L. , Dong May M. , Aaron Bailey J. , Brafford Patricia A. , Volgina Darya , Pascual-Pasto Guillem , Rodriguez-Garcia Alba , Uzun Yasin , Arsenian-Henriksson Marie , Powell Daniel J. , Bosse Kristopher R. , Kossenkov Andrew , Tan Kai , Hogarty Michael D. , Maris John M. , Dang Chi V. 
Published: February 2022

Significance
Making immunotherapy more widely effective requires improved understanding of the pathways that regulate the interactions between tumor and immune cells. This work identified a previously unappreciated difference in these pathways between heterogenous epigenetic states that coexist in neuroblastoma. The generally rarer mesenchymal subpopulation has more active inflammatory sensing and signaling, revealing a potential immunologic vulnerability of these chemotherapy-resistant cells.
MRP5 and MRP9 play a concerted role in male reproduction and mitochondrial function
Authors: Chambers Ian G. , Kumar Praveen , Lichtenberg Jens , Wang Pengcheng , Yu Jianshi , Phillips John D. , Kane Maureen A. , Bodine David , Hamza Iqbal 
Published: February 2022

Significance
Multidrug Resistance Proteins (MRPs) are typically implicated in cancer biology. Here, we show that MRP9 and MRP5 localize to mitochondrial-associated membranes and play a concerted role in maintaining mitochondrial homeostasis and male reproductive fitness. Our work fills in significant gaps in our understanding of MRP9 and MRP5 with wider implications in male fertility. It is plausible that variants in these transporters are associated with male reproductive dysfunction.
Transmission potential of human schistosomes can be driven by resource competition among snail intermediate hosts
Authors: Civitello David J. , Angelo Teckla , Nguyen Karena H. , Hartman Rachel B. , Starkloff Naima C. , Mahalila Moses P. , Charles Jenitha , Manrique Andres , Delius Bryan K. , Bradley L. M. , Nisbet Roger M. , Kinung’hi Safari , Rohr Jason R. 
Published: February 2022

Significance
Predicting how ecological interactions among vectors or intermediate hosts of human parasites influence transmission potential to humans remains challenging. Here, we focus on human schistosomiasis and demonstrate how resource competition among snails profoundly alters the link between infected snails, the target of control, and schistosome cercariae, the cause of human infections. We integrated an individual-based bioenergetics model of snail and schistosome dynamics with experiments in artificial waterbodies and field observations to anticipate and explain how resource-sensitive schistosome infections and resource competition among snails interact to generate brief peaks in transmission potential when snail populations grow from low densities. A resource-explicit view of snail and schistosome dynamics could maximize the potential for snail control methods to contribute to control of schistosomiasis.
On overtravel and skate in cantilever-based probes for on-wafer measurements
Authors: Arscott Steve 
Published: February 2022

Abstract
Due to the deformability of a microcantilever-based probe, there is an interesting and subtle interplay between the probe overtravel, the tip skate on the surface, and the ultimate tangency of the tip of the probe with the wafer surface. The relationship between these parameters is described here. The scalable model is tested using a macroscopic cantilever and found to be accurate in its predictions. In addition, to avoid potential skate-induced damage to metallisation, the idea of zero-skate using a cantilever-based probe has been introduced; minimal skate is demonstrated using a macroscopic cantilever—the skate can be reduced by a factor of 0.176. As the model is scalable, this information could be of use to the designer of emerging miniature microelectromechanical systems (MEMS) microcantilever-based surface contact probes destined for on-wafer electrical measurements or the test engineer concerned with on-wafer probe contacting—where skate and overtravel are important practical concerns having repercussions in electrical contact quality. Some predictions of the modelling for microcantilever-based probes are provided.
Bipolar resistive switching properties of TiO
x
/graphene oxide doped PVP based bilayer ReRAM
Authors: Lodhi Anil , Saini Shalu , Dwivedi Anurag , Khandelwal Arpit , Tiwari Shree Prakash 
Published: February 2022

Abstract
In this paper, firstly, some recently explored promising materials and processes for resistive random access memory (ReRAM) devices with bipolar switching mechanism along with their performance are discussed. Further, resistive switching behaviour of TiO
x
/graphene oxide (GO):poly(4-vinylphenol) (PVP) based bilayer in ReRAM devices is demonstrated. It was found that bipolar resistive switching behaviour is significantly enhanced by embedding 2D material such as GO in the organic polymer acting as switching layer. ReRAM devices with Ag/PVP:GO/TiO
x
/fluorine doped tin oxide (FTO) structure exhibited high ON/OFF current ratio (>103), low voltage operation, and high retention time. Bipolar resistive switching from these engineered active layers will have great potential for future large area and sustainable electronics.
Low-energy elastic electron scattering cross sections of acrylic acid and its methylated derivatives
Authors: Frighetto Francisco Fernandes , Bettega M H F 
Published: February 2022

Abstract
In the present work we report elastic cross sections for electron scattering from acrylic acid (CH2 = CH-COOH) and its methylated derivatives, crotonic acid (CH3-CH = CH-COOH), methacrylic acid (H2C = C(CH3)COOH) and methyl acrylate (CH2 = CHCOOCH3). The calculations were performed with the Schwinger multichannel method for impact energies up to 15 eV. Two π* shape resonances were found in the component of the integral cross sections (ICSs) for the A″ symmetry of all molecules. The resonance positions obtained for the acrylic acid are compared with existing experimental results for dissociative electron attachment. We investigated the influence of methylation through the comparison of the positions and widths of the shape resonances in the component of the ICS of the A″, and the oscillation patterns in the differential cross sections of all molecules. We also present the momentum transfer cross section for electron scattering from all molecules studied.
An experimental and theoretical study of the Kr 3d correlation satellites
Authors: Kiselev M D , Reinhardt M , Patanen M , Kivimäki A , Powis I , Zatsarinny O , Grum-Grzhimailo A N , Holland D M P 
Published: February 2022

Abstract
The Kr 3d correlation satellites have been studied experimentally by using plane polarized synchrotron radiation to record polarization dependent photoelectron spectra (PES), and theoretically by employing the R-matrix method to calculate photoionization cross sections, PES and angular distributions. The experimental spectra have allowed the photoelectron anisotropy parameters characterizing the angular distributions, and the intensity branching ratios, related to the photoionization partial cross sections, to be evaluated. The results are discussed in terms of normal and conjugate shake-up processes. The experimental and calculated photoelectron angular distributions associated with those correlation satellites that arise predominantly through conjugate shake-up mechanisms are shown to be isotropic. In contrast, the anisotropy parameters associated with satellites due to normal shake-up processes exhibit a dependence on electron kinetic energy similar to that of the anisotropy parameters corresponding to the Kr 3d main lines. The theoretical results include an analysis of the partial waves representing the emitted photoelectron and, for certain correlation satellites, show that a particular ionization continuum dominates. This, in turn, may allow the dominant normal or conjugate shake-up mechanism forming the satellite to be identified.
Effect of mechanical nonlinearity on the electromagnetic response of a microwave tunable metamaterial
Authors: Karimi Mahabadi Rayehe , Goudarzi Taha , Fleury Romain , Orazbayev Bakhtiyar , Naghdabadi Reza 
Published: February 2022

Abstract
Tunable metamaterials functionalities change in response to external stimuli. Mechanical deformation is known to be an efficient approach to tune the electromagnetic response of a deformable metamaterial. However, in the case of large mechanical deformations, which are usually required to fully exploit the potential of the tunable metamaterials, the linear elastic mechanical analysis is no longer suitable. Nevertheless, nonlinear mechanical analysis is missing in the studies of mechanically tunable metamaterials. In this paper, we study the importance of considering nonlinearity in mechanical behavior when analyzing the response of a deformable metamaterial and its effects on electromagnetic behavior. We consider a microwave metamaterial formed by copper four-cut split ring resonators on a Polydimethylsiloxane (PDMS) substrate. Applying both displacement and force stimuli, we show that when the deformation is large, more than 10 percent strain, the use of nonlinear analysis considering the geometrical and material nonlinearities is imperative. We further show that the discrepancies between the linear and nonlinear analyses appear in overestimating the stress, underestimating the tunability of the metamaterial responses, and mispredicting the negative permeability regions.
High-performance CdS@CsPbBr3 core–shell microwire heterostructure photodetector
Authors: Dai Guozhang , Xiang Yang , Mo Xindi , Xiao Zhixing , Yuan Hua , Wan Jiaxing , Liu Biao , Yang Junliang 
Published: February 2022

Abstract
A core–shell heterojunction has been developed to fabricate efficient optoelectronic devices by optimizing the light absorption and promoting the generation and extraction of charge carriers. Herein, the CdS@CsPbBr3 core–shell microwire (MW) heterojunction was structured via a two-step chemical vapor deposition and was further used to fabricate a UV–Vis photodetector. The photodetector performance is greatly dependent on the thickness of the CsPbBr3 shell. Growth time of 60 min could produce about 80 nm thick CsPbBr3 shell with excellent coverage and adhesion, resulting in optimized performance parameters. As compared with bare cadmium sulfide (CdS) MW photodetector, the CdS@CsPbBr3 core–shell MW heterojunction photodetector exhibits relatively high ratio of photocurrent and dark current (104), much higher light responsivity (319.79 A W−1) and faster response time (6.6 ms). The responsivity is 3.3 times to the value of bare CdS photodetector and the photocurrent increases nearly 10 times. The significant performance parameters mainly result from the formation of a type-II energy band structure and the reduction of the defects states on CdS surface, leading to the obviously improved carriers transport process. The results indicate that the CdS@CsPbBr3 core–shell MW heterojunction is a promising potential candidate to construct high-performance electronic and optoelectronic devices.
Investigation of out-of-plane ordered Ti4MoSiB2 from first principles
Authors: Helmer Pernilla , Lind Hans , Dahlqvist Martin , Rosen Johanna 
Published: February 2022

Abstract
The laminated ternary boride Mo5SiB2 of T2 structure have two symmetrically inequivalent metallic sites, 16l and 4c, being occupied in a 4:1 ratio. The phase was recently shown to be stable for 80% substitution of Mo for Ti, at the majority site, forming an out-of-plane chemically ordered quaternary boride: Ti4MoSiB2. Considering that the hypothetical Ti5SiB2 is theoretically predicted as not stable, a key difference in bonding characteristics is indicated for full substitution of Mo for Ti at the metallic sites. To explore the origin of formation of Ti4MoSiB2, we here investigate the electronic properties and bonding characteristics of Mo5SiB2, Ti4MoSiB2 and Ti5SiB2 through their density of states, projected crystal orbital Hamilton population (pCOHP), Bader charge partitioning and second order force constants. The bond between the two different metallic sites is found to be key to the stability of the compounds, evident from the pCOHP of this bond showing a peak of bonding states close to the Fermi level, which is completely filled in Mo5SiB2 and Ti4MoSiB2, while only partially filled in Ti5SiB2. Furthermore, the lower electronegativity of Ti compared to Mo results in charge accumulation at the Si and B sites, which coincides with a reduced bond strength in Ti5SiB2 compared to Mo5SiB2 and Ti4MoSiB2. Bandstructure calculations show that all three structures are metallic. The calculated mechanical and elastic properties show reduced bulk (B) and elastic (E) moduli when introducing Ti in Mo5SiB2, from 279 and 365 GPa to 176 and 258 GPa, respectively. The Pugh criteria indicates also a slight reduction in ductility, with a G/B ratio increasing from 0.51 to 0.59.
Models of Ni- and Co-ion occupation in LiNi0.5Co0.5PO4 orthophosphate and its magnetic structure
Authors: Semkin M A , Urusova N V , Hoser A , Neznakhin D S , Pirogov A N 
Published: February 2022

Abstract
The neutron diffraction, magnetic and heat capacity measurements have been carried out to study the polycrystalline sample LiNi0.5Co0.5PO4 prepared by the glycerol-nitrate synthesis method. Models of Ni- and Co-ion occupation the 4c octahedral position in a crystal structure LiNi0.5Co0.5PO4 are calculated for a paramagnetic state. The best model is the Ni- and Co-ions occupy the 4c site in Pnma patent space-group in sequence Ni–Co–Ni–Co or Co–Ni–Co–Ni. It is shown that nickel ions form ab planes alternating with the planes of cobalt ions in the direction of the c crystallographic axis. At 7 K, an average magnetic moment of 3d-ions is equal to 1.90 (9) μ
B. The moments are ordering antiferromagnetically and parallel to the bc plane decreasing to zero at 15 K. In the high-spin state a temperature dependence of the Ni2+/Co2+ ion-magnetic moment is well described within the 2D Ising model with order parameter β = 0.198 and Néel temperature T
N = 14.1 (1) K, obtained from heat capacity data. This temperature agrees well with T
cr = 14.3 (2) K, determined with magnetic measurement. Maybe the short-range magnetic order exists in LiNi0.5Co0.5PO4 over temperature region (14–16) K, that is confirmed by the maximum on a temperature dependence of the magnetization at 16.1 (5) K.
Scattering theory of non-equilibrium noise and delta T current fluctuations through a quantum dot
Authors: Popoff A , Rech J , Jonckheere T , Raymond L , Grémaud B , Malherbe S , Martin T 
Published: February 2022

Abstract
We consider the non-equilibrium zero frequency noise generated by a temperature gradient applied on a device composed of two normal leads separated by a quantum dot. We recall the derivation of the scattering theory for non-equilibrium noise for a general situation where both a bias voltage and a temperature gradient can coexist and put it in a historical perspective. We provide a microscopic derivation of zero frequency noise through a quantum dot based on a tight binding Hamiltonian, which constitutes a generalization of the seminal result obtained for the current in the context of the Keldysh formalism. For a single level quantum dot, the obtained transmission coefficient entering the scattering formula for the non-equilibrium noise corresponds to a Breit–Wigner resonance. We compute the delta-T noise as a function of the dot level position, and for a broad range of values of the dot level width, in the Breit–Wigner case, for two relevant situations which were considered recently in two separate experiments. In the regime where the two reservoir temperatures are comparable, our gradient expansion shows that the delta-T noise is dominated by its quadratic contribution, and is minimal close to resonance. In the opposite regime where one reservoir is much colder, the gradient expansion fails and we find the noise to be typically linear in temperature before saturating. In both situations, we conclude with a short discussion of the case where both a voltage bias and a temperature gradient are present, in order to address the potential competition with thermoelectric effects.