bluuebunny/crossref_metadata_2025_split huggingface dataset:
Silicon Y-bifurcated microchannels etched in 25 wt% TMAH water solution
Authors: Smiljanić Milče M , Lazić Žarko , Rafajilović Milena Rašljić , Zobenica Katarina Cvetanović , Milinković Evgenija , Filipović Ana 
Published: November 2020

Abstract
In this study, Y-bifurcated microchannels fabricated from a {100} silicon in 25 wt% tetramethylammonium hydroxide water solution at the temperature of 80 °C have been presented and analysed. We studied the etching of acute angles with sides along the <n10> crystallographic directions in the masking layer where 1 < n < 8. We considered symmetrical acute corners in the masking layer with respect to the <100> crystallographic directions. The angles between the appropriate <n10> and <100> crystallographic directions were smaller than 45°. Moreover, we observed asymmetrical acute corners formed by the <n10> and <m10> crystallographic directions, where m ≠ n. We found that the obtained convex corners were not distorted during etching. Consequently, it is not necessary to apply convex corner compensation. These fabricated undistorted convex corners represent the angles of the bifurcations. The sidewalls of the microchannels are defined by etched planes of the {n11} and {100}families. Analytical relations were derived for the widths of the microchannels. The results enable simple and cost-effective fabrication of various complex silicon microfluidic platforms.
Rydberg transitions and photoionisation cross section of NH3
Authors: Modak Paresh , Antony Bobby 
Published: November 2020

Abstract
Partial photoionisation cross sections of NH3 are calculated for processes involving transitions from the ground state to 2A1 and 2E excited electronic states of the neutral target and residual ion respectively for a wide range of wavelengths using the R-matrix method. Some near threshold structures are resolved. A comparative study is reported for the lone pair 3a
1 electrons with the isoelectronic system, H2O [Modak and Antony 2020 J. Phys. B: At. Mol. Opt. Phys.
53 045202]. We observe that the lone pair of NH3 is loosely bound compared to H2O. A local rise in cross section data for 2A1 (3a
1) electronic state due to autoionisation is also observed from higher excited states. This was earlier predicted by Brion et al [Brion et al 1977 J. Elect. Spectrosc. Rel. Phenom.
12 323]. This is the first report which confirms predissociation due to the dissociative photoionisation of 2E state. A major aim of this study is to resolve Rydberg transitions above the ionisation threshold and quantify them for photoionisation rate coefficients. A recent study by Saraswathya et al [Saraswathya et al 2010 Spectrosc. Lett.
43 290] is the only reported data for few of these Rydberg transitions. These transitions are usually absent in experiments due to the difficulty in resolving narrow energy range. In this investigation, we observed Rydberg transitions above the first ionisation threshold of NH3. An autoionisation peak is also identified in the background of Rydberg transitions.
Refined analysis of current–voltage characteristics in Townsend dielectric barrier discharges in nitrogen at atmospheric pressure
Authors: Mejanes Naomi De , Profili Jacopo , Babaei Sara , Naudé Nicolas , Stafford Luc 
Published: November 2020

Abstract
A refined method is proposed to analyze surface spreading phenomena along the gas flow lines in plane-to-plane Townsend dielectric barrier discharges (TDBDs) in nitrogen at atmospheric pressure. Current–voltage characteristics are recorded as a function of gas residence time using a recently-developed, fragmented-electrode system and the results are analyzed using an equivalent circuit model using dielectric, gas and parasitic capacitances as adjustable parameters. The results show that the capacitance values are directly correlated to the surface spreading of the TDBD, which in turn, influences the shape of the discharge current and gas voltage curves for each half-cycle of the applied voltage. This highlights the importance of a good determination of the effective discharge surface area and therefore of the capacitance values in electrical analysis of TDBD.
Improved Na storage performance of Na3V2(PO4)3 cathode material for sodium-ion batteries by K-Cl co-doping
Authors: Hong Xianda , Liang Kang , Huang Xiaobing , Ren Yurong , Wang Haiyan 
Published: November 2020

Abstract
As a promising cathode material for sodium-ion batteries (SIBs), Na3V2(PO4)3 (NVP), the typical NASICON (Na super-ionic conductor)-structure cathode material, has received much attention resulting from its high working potential and excellent structural stability. However, it has always suffered from low electroconductivity, which largely limits its application in SIBs. Herein, to improve the electrochemical performance, we developed potassium and chlorine co-doped Na3V2(PO4)3/carbon particles (NKVPCl/C) using a spray-drying method combined with a calcinating process and adopted them as cathode materials for SIBs. We studied in detail how K+ and Cl− affected the electrochemical performance. The NKVPCl/C-2 particles displayed a highly initial discharge capacity of 109.6 mA h g−1 at 0.2 C, and had a superior cycling stable property (nearly 100% of initial discharge capacity after 500 cycles at 5 C). The excellent electrochemical performance of NKVPCl/C can be attributed to its higher Na+ diffusion and electron conduction, which indicates that the strategy of co-doping K-Cl is an effective tactic for improving the property of NVP in SIBs.
Validity of the effective injection barrier in organic field-effect transistors
Authors: Lee Yongjeong , Horowitz Gilles , Jung Sungyeop , Bonnassieux Yvan 
Published: November 2020

Abstract
The injection barrier is a key parameter that governs the charge and current density in organic field-effect transistors (OFETs). However, the energetic disorder of organic disordered semiconductors (ODSs) hinders a clear definition of the injection barrier. We study the validity of effective injection barrier at the metal/organic disordered semiconductor by means of systematic numerical simulation of OFETs in full consideration of the Gaussian density-of-states. The contact resistance from the numerical simulation and analytical model are compared to verify this procedure. By varying the Gaussian width, the effective injection barrier is validated for low degree of disorder at which the semiconductor is under non-degenerate condition. The position of Fermi level with respect to the Gaussian width distinguishes the non-degenerate and degenerate condition of ODSs, indicating clearly the range of validity of the effective injection barrier.
A method to test the coupling strength of the linear and nonlinear contributions to higher-order flow harmonics via event shape engineering
Authors: Magdy Niseem , Evdokimov Olga , Lacey Roy A 
Published: November 2020

Abstract
A multi-phase transport model is used to study the efficacy of shape-engineered events to delineate the degree of coupling between the linear and nonlinear contributions to the higher-order flow harmonics v
4 and v
5. The study shows that the nonlinear contributions are strongly shape-dependent while the linear contributions are shape-independent, indicating little if any, coupling between the linear and nonlinear flow coefficients. The experimental verification of such patterns could be an invaluable tool for robust extraction of the linear and mode-coupled flow coefficients, especially for beam energies where the charged particle multiplicity and the event statistics precludes the use of current methods to establish the coupling strength.
Even–even 122–138Ce isotopes shape study within CNS model
Authors: Kaim S , Azzam B Saad 
Published: November 2020

Abstract
The present paper concerns the study of the even–even 122–138Ce isotopes, based on the cranked Nilsson–Strutinsky model. The energy levels are calculated for these nuclei and the potential energy surfaces are represented in deformation parameters plane (ɛ
2, γ). The configurations are assigned to different bands using the best difference between calculated and observed energies. The nuclear shape evolution as function of the spin is examined and explored by two separate studies, using, respectively, the values of deformation parameters in the first study and the analysis of kinetic and dynamic moments of inertia (

J

(1) and

J

(2)) in the second one. The results of both studies are consistent.
Weak localization and weak antilocalization in doped Ge1-y
Sn
y
layers with up to 8% Sn
Authors: Weißhaupt David , Funk Hannes S , Kern Michal , Dettling Marco M. , Schwarz Daniel , Oehme Michael , Sürgers Christoph , van Slageren Joris , Fischer Inga A , Schulze Jörg 
Published: November 2020

Abstract
Low-temperature magnetoresistance measurements of n- and p-doped germanium–tin (Ge1-y
Sn
y
) layers with Sn concentrations up to 8% show contributions arising from effects of weak localization for n-type and weak antilocalization for p-type doped samples independent of the Sn concentration. Calculations of the magnetoresistance using the Hikami–Larkin–Nagaoka model for two-dimensional transport allow us to extract the phase-coherence length for all samples as well as the spin–orbit length for the p-type doped samples. For pure Ge, we find phase-coherence lengths as long as (349.0 ± 1.4) nm and (614.0 ± 0.9) nm for n-type and p-type doped samples, respectively. The phase-coherence length decreases with increasing Sn concentration. From the spin–orbit scattering length, we determine the spin-diffusion scattering length in the range of 20–30 nm for all highly degenerate p-type doped samples irrespective of Sn concentration. These results show that Ge1-y
Sn
y
is a promising material for future spintronic applications.
Investigation of the magnetic phase diagram of the 2D ferrimagnetic J
1–J
2 model
Authors: Wieser R 
Published: November 2020

Abstract
The zero-temperature phase diagram and spin dynamics of the 2D ferrimagnetic J
1–J
2 model with (S
1, S
2) = (1/2, 1) are investigated using the time-dependent cluster mean-field theory (t-CMFT). The t-CMFT enables the investigation of the quantum-mechanical as well as semi-classical phase diagram and spin dynamics by control of the entanglement. For the characterization of the ferrimagnetic system, the magnetization, the energy per atom, the cluster quantum states and the von Neumann entropy have been determined.
Black-box inhomogeneous preconditioning for self-consistent field iterations in density functional theory
Authors: Herbst Michael F , Levitt Antoine 
Published: November 2020

Abstract
We propose a new preconditioner based on the local density of states for computing the self-consistent problem in Kohn–Sham density functional theory. This preconditioner is inexpensive and able to cure the long-range charge sloshing known to hamper convergence in large, inhomogeneous systems such as clusters and surfaces. It is based on a parameter-free and physically motivated approximation to the independent-particle susceptibility operator, appropriate for both metals and insulators. It can be extended to semiconductors by using the macroscopic electronic dielectric constant as a parameter in the model. We test our preconditioner successfully on inhomogeneous systems containing metals, insulators, semiconductors and vacuum.
First-principles investigation on the thermoelectric performance of half-Heusler compound CuLiX(X = Se, Te)
Authors: Jia Kang , Yang Chuan-Lu , Wang Mei-Shan , Ma Xiao-Guang , Yi You-Gen 
Published: November 2020

Abstract
The remarkable thermoelectric performance is predicted for half-Heusler (HH) compounds of CuLiX (X = Se, Te) based on the first-principles calculation, the deformation potential (DP) theory, and semi-classical Boltzmann theory. The Slack model is employed to evaluate the lattice thermal conductivity and the result is in good agreement with the previously reported data. The results of mechanical properties demonstrate that CuLiSe is ductile but CuLiTe is brittle. The relaxation time and the carrier mobility are calculated with DP theory. The electrical and thermal conductivities are obtained by using the semi-classical Boltzmann theory based on the relaxation approximation. The Seebeck coefficient and power factor are obtained and their characters are analyzed. The dimensionless figure of merits (ZT) is obtained for the p- and n-type CuLiX. The maximum ZT of 2.65 can be achieved for n-type CuLiTe at the carrier concentration of 3.19 × 1019 cm−3 and 900 K, which indicates that this compound is a very promising candidate for the highly efficient thermoelectric materials.
Automated calibration of multiple long gauge blocks using the KRISS linear measurement system
Authors: Kim Jong-Ahn , Lee Jae Yong , Woo Jae Heun , Eom Sung Hoon , Kim Myung Soon , Kang Chu-Shik 
Published: November 2020

Abstract
For efficient calibration of multiple long gauge blocks (LGBs), an automatic alignment system, consisting of a multi-axis stage and an angle sensor, was developed and integrated with the Korea Research Institute of Standards and Science linear measurement system. The stage was designed to be installed in the limited space of the linear measurement system, with the ability to translate and align the linear and angular positions of LGBs. The auto-collimation angle sensor detected the tip-tilt angle of an LGB with an angular resolution of 0.11″, by image processing the intensity profile of a beam reflected from one of the measured faces of an LGB. Using this automatic alignment system, up to five LGBs were calibrated sequentially without any manual operation or thermal instability. Therefore, multiple LGBs can be calibrated in a short time with small alignment errors and under optimal thermal conditions. When four LGBs with nominal lengths of between 250 mm and 1000 mm were measured, the measurement repeatability of each LGB length was less than 22 nm, and the calibration results agreed well with those obtained by an LGB interferometer within the expanded measurement uncertainty.
A front-tracking measurement technique for in-situ columnar and equiaxed structure growth with controlled solidification
Authors: Hughes Turlough , McFadden Shaun , Robinson Anthony J 
Published: November 2020

Abstract
Growth rate is an important consideration in solidification as it influences features of the micro and macrostructure such as morphology and the columnar to equiaxed transition. Thus, accurately quantifying the growth rate is key to understanding the solidification process as well as verifying numerical simulations. In this work, an experimental apparatus has been developed to investigate in-situ directional solidification using a transparent analogue material, neopentyl glycol-35 wt%(D)camphor. The facility enables the control of the mushy zone growth rate as well as the imposed temperature gradient during solidification, similar to Bridgman type furnaces. Image processing techniques were developed for automated tracking of position and growth rate of the solidification front (SF) using background subtraction on photographic image sequences captured in experiments. Growth rate measurements using this technique and the traditional method (liquidus isotherm speed) have been benchmarked against manual measurements of position and growth rate. Results show that automatically tracked growth rate compares well throughout experiments with errors less than 2.7%. Contrastingly, isotherm speed was in error up to 19%. Three columnar and two equiaxed morphologies were investigated and SFs were characterised for their growth rates and thermal conditions.
Effects of charge carrier density of ZnO film used in UV sensors: difficulties in measurement and rectification method
Authors: Seeneevassen Seydiren , Kashan Mohammad Ali Mohammadzadeh , Ramakrishnan N 
Published: November 2020

Abstract
In this Technical Note, we demonstrate a rectification method to enable the use of zinc oxide (ZnO) films in conductometric ultraviolet (UV) sensors. The phenomenon of persistent conductivity has long impeded the employment of ZnO films as conductometric UV sensors and eventually yields photo-induced current saturation in the film. To address this problem, we propose measuring the change in current in a transient response compromising of an OFF period of 60 s followed by an ON period of 20 s. In addition, we have investigated the effects of temperature and relative humidity, and dyanamic response of the sensor for different UV intensities. The experimental result shows that this measurement technique allows the ZnO film to act as a conductometric sensor even after prolonged exposures.
Performance improvement of P3HT nanowire-based organic solar cells by interfacial morphology engineering
Authors: Kiymaz Deniz , Kiymaz Aykut , Zafer Ceylan 
Published: November 2020

Abstract
Poly (3-hexylthiophene-2,5-diyl) nanowires (nw-P3HT) have been a great interest for organic electronics, including organic field-effect transistors, organic photodetectors, organic photovoltaics, etc due to easy formation in the solution process. Thus both explanations of charge transport dynamics and morphology are crucial for device performance. Here we demonstrated the optoelectronic properties of the P3HT nanowires where the polymer backbones were parallel to the nanowire axis. The nanowires tended to form a bundle due to van der Waals interactions. Nanowire bundles were separated by 1,8-diiodooctane (DIO) additive for photovoltaic fabrication. The bundle separation was visualized by atomic force microscopy. The charge transfer mechanism was evaluated by electrochemical impedance spectroscopy. The electrical analysis showed that short-circuit current density (J
sc) increases to 10.74 mA cm−2 after the bundle separation. According to impedance analysis, there is a correlation between effective lifetime and DIO ratio. These findings were considered as promising results for improving the transport by forming pathways for charge carriers.
The effect of Ag atom doped Cu@CuO core–shell structure on its electronic properties and catalytic performance: a first principles study
Authors: Zhang Xiao , Zhou Xiaolong , Guo Yanxin , Li Jintao , Hu Chen , Zhang Kunhua , Wang Lihui 
Published: November 2020

Abstract
Density functional theory was used to study the Ag-doped Cu@CuO core–shell structure, electronic properties and catalytic properties. Similar to the undoped Cu@CuO clusters, the Ag doped clusters also retain the core–shell structure. Ag doping increases the charge transfer between surrounding O atoms and Cu atoms and reduces the potential of the core–shell structure, thereby increasing its surface activity. The study of its orbital distribution found that the doping of Ag atoms caused the interaction between the inner Cu core and the outer CuO shell, which changed the electron orbital motion inside the shell. The internal chemical stability of the core–shell material is improved. In addition, Ag atom doping accelerates the decomposition of H2O2 on Cu@CuO structure and increases its adsorption of small molecules, which indicates that Ag atom doping improves the catalytic performance of Cu@CuO structure.
Validation of a CT-based motion model with in-situ fluoroscopy for lung surface deformation estimation
Authors: Ranjbar M , Sabouri P , Mossahebi S , Sawant A , Mohindra P , Lasio G , Topoleski L D Timmie 
Published: November 2020

Abstract
Many surrogate-based motion models (SMMs), proposed to guide motion management in radiotherapy, are constructed by correlating motion of an external surrogate and internal anatomy during CT-simulation. Changes in this correlation define model break down. We validate a methodology that incorporates fluoroscopic (FL) images acquired during treatment for SMM construction and update. Under a prospective IRB, 4DCT scans, VisionRT (VRT) surfaces, and orthogonal FLs were collected from five lung cancer patients. VRT surfaces and two FL time-series were acquired pre- and post-treatment. A simulated annealing optimization scheme was used to estimate optimal lung deformations by maximizing the mutual information (MI) between digitally reconstructed radiographs (DRRs) of the SMM-estimated 3D images and FLs. Our SMM used partial-least-regression and was trained using the optimal deformations and VRT surfaces from the first breathing-cycle. SMM performance was evaluated using the MI score between reference FLs and the corresponding SMM or phase-assigned 4DCT DRRs. The Hausdorff distance for contoured landmarks was used to evaluate target position estimation error. For four out of five patients, two principal components approximated lung surface deformations with submillimeter accuracy. Analysis of the MI score between more than 4000 pairs of FL and DRR demonstrated that our model led to more similarity between the FL and DRR images compared to 4DCT and DRR images from a model based on an a priori correlation model. Our SMM consistently displayed lower mean and 95th percentile Hausdorff distances. For one patient, 95th percentile Hausdorff distance was reduced by 11 mm. Patient-averaged reductions in mean and 95th percentile Hausdorff distances were 3.6 mm and 7 mm for right-lung, and 3.1 mm and 4 mm for left-lung targets. FL data were used to evaluate model performance and investigate the feasibility of model update. Despite variability in breathing, use of post-treatment FL preserved model fidelity and consistently outperformed 4DCT for position estimation.
Modelling and analysis of electrical impedance myography of the lateral tongue
Authors: Schooling Chlöe N , Jamie Healey T , McDonough Harry E , French Sophie J , McDermott Christopher J , Shaw Pamela J , Kadirkamanathan Visakan , Alix James J P 
Published: November 2020

Abstract

Objective: Electrical impedance myography (EIM) performed on the centre of the tongue shows promise in detecting amyotrophic lateral sclerosis (ALS). Lateral recordings may improve diagnostic performance and provide pathophysiological insights through the assessment of asymmetry. However, it is not known if electrode proximity to the muscle edge, or electrode rotation, distort spectra. We evaluated this using finite element-based modelling. Approach: Nine thousand EIM from patients and healthy volunteers were used to develop a finite element model for phase and magnitude. Simulations varied electrode proximity to the muscle edge and electrode rotation. LT-Spice simulations assessed disease effects. Patient data were assessed for reliability, agreement and classification performance. Main results: No effect on phase spectra was seen if all electrodes remained in contact with the tissue. Small effects on magnitude were observed. Cole-Cole circuit simulations indicated capacitance reduced with disease severity. Lateral tongue muscle recordings in both patients and healthy volunteers were reproducible and symmetrical. Combined lateral/central tongue EIM improved disease classification compared to either placement alone. Significance: Lateral EIM tongue measurements using phase angle are feasible. Such measurements are reliable, find no evidence of tongue muscle asymmetry in ALS and improve disease classification. Lateral measurements enhance tongue EIM in ALS.