bluuebunny/crossref_metadata_2025_split huggingface dataset:
Strain effect on electronic structure and transport properties of zigzag α-T
3 nanoribbons: a mean-field theoretical study
Authors: Cheng Xing , Zhou Benhu , Zhou Benliang , Zhou Guanghui 
Published: February 2021

Abstract
The α-T
3 lattice, a minimal model that presents flat bands, has sparked much interest in research but the finite-size effect and interaction has been rarely involved. Here we theoretically study the electronic structure and transport properties of zigzag-edge α-T
3 nanoribbons (ZαT
3NRs) with and without uniaxial strain, where the exemplary widths N = 40 and 41 for two series are considered. By adopting the mean-field Hubbard model combined with the nonequilibrium Green’s function method, we show that the spin-degenerate dispersionless flat band at the Fermi energy for the pristine ribbons is split into spin-up and -down flat bands under electron–electron Coulomb interaction. Specifically, the two bands are shifted toward in an opposite direction and away from the Fermi energy, which leads to an energy gap opening in the case of α ≠ 1. All three series of ZαT
3NRs with width N = 3n, 3n + 1, 3n + 2 (where n is a positive integer) exhibit an energy gap. This differs from the simple tight-binding calculations without considering electron–electron Coulomb interaction, for which the gap is always zero in the case of N = 3n + 1. Here, the origin of the energy gap for N = 3n + 1 arises from Coulomb repulsion between electrons. Importantly, the energy gap can be effectively manipulated by an uniaxial strain and Coulomb interaction if α ≠ 1. The gap linearly increases (decreases) when a tensile (compressive) strain increases, and it also monotonously increases as enhancing Coulomb interaction. Interestingly, a ground state of antiferromagnetic to ferromagnetic transition occurs when α increases from 0.8 to 1, leading to a semiconductor to metallic transition. Besides, the α-, strain- and interaction-dependent conductance is also explored. The findings here may be of importance in the band gap engineering and electromechanical applications of α-T
3 nanoribbon-based devices.
Total finite element tearing and interconnection method for computationally efficient micromechanical analysis
Authors: Kulkarni Nagesh H , Gautham B P , Kulkarni Salil S 
Published: February 2021

Abstract
Micromechanical analysis of a representative volume element (RVE) is commonly performed to estimate the material’s effective/homogenized properties in a multiscale analysis of deformation of materials. Typically numerical analysis techniques such as the finite element (FE) method are used for such an analysis. A highly refined FE mesh is required to capture microstructure features accurately for the analysis of RVE. However, this increases the number of degrees of freedom and affects computational time adversely. In this contribution a total finite element tearing and interconnection (TFETI) domain decomposition method based approach is presented for a computationally efficient micromechanical analysis. Two critical aspects of the micromechanical analysis, namely, a) computationally efficient solution of the boundary value problem and b) ease of computation of effective properties, are addressed in this work. This work focuses on the displacement driven micromechanical analysis where the boundary conditions are available in terms of displacements over the entire boundary. Two types of displacement boundary conditions, viz uniform or proportional displacements and periodic displacements corresponding to the state of uniaxial extension and simple shear are considered. The performance of the adapted TFETI with commonly used preconditioners, namely Dirichlet and lumped, for such displacement driven analysis is investigated. An efficient algorithm that exploits the structure of the TFETI method is proposed to calculate the effective properties. The proposed method’s efficacy is demonstrated by analyzing some representative model problems of composite materials. It is observed that the method’s performance depends on various problem parameters such as volume fraction, the shape of inclusion, the distance between the inclusions, and the contrast between the material properties of matrix and inclusion. The performance also depends on the numerical method parameters, such as the number of subdomains, shape of subdomains, and preconditioners. Therefore, a systematic study is carried out to study the influence of these parameters on the method’s performance.
Transition from elastic to plastic strain release in core−shell nanowires revealed by in-plane x-ray diffraction
Authors: Al Hassan Ali , Salehi Waheed A , Lewis Ryan B , Anjum Taseer , Sternemann Christian , Geelhaar Lutz , Pietsch Ullrich 
Published: February 2021

Abstract
We investigate the strain evolution and relaxation process as function of increasing lattice mismatch between the GaAs core and surrounding In
x
Ga1−x
As shell in core–shell nanowire heterostructures grown on Si(111) substrates. The dimensions of the core and shell are kept constant whereas the indium concentration inside the shell is varied. Measuring the

22

4
¯

and

2

2
¯

0

in-plane Bragg reflections normal to the nanowire side edges and side facets, we observe a transition from elastic to plastic strain release for a shell indium content x > 0.5. Above the onset of plastic strain relaxation, indium rich mounds and an indium poor coherent shell grow simultaneously around the GaAs core. Mound formation was observed for indium contents x = 0.5 and 0.6 by scanning electron microscopy. Considering both the measured radial reflections and the axial 111 Bragg reflection, the 3D strain variation was extracted separately for the core and the In
x
Ga1−x
As shell.
Numerical simulation of dielectric barrier discharge with asymmetrical electrode in atmospheric helium
Authors: Wang Jing , Li Jing , Lei Bingying , Ran Shuang , Xu Boping , Liu Yinghua , Li Xinzhong , Wang Yishan , Tang Jie , Zhao Wei , Duan Yixiang 
Published: February 2021

Abstract
The characteristics of the dielectric barrier discharge (DBD) equipped with asymmetrical electrode (ring electrode on the upper and disk electrode on the lower) in atmospheric helium are investigated by a two-dimensional self-consistent fluid model. Simulation results show that as the applied voltage increases, the discharge enhances and the onset of discharge advances, which is similar to the results of traditional DBD. However, with the applied voltage increasing, the symmetry of the discharge current pulses in the positive and negative half cycles disappears because of the asymmetric electrode configuration. In addition, only the spatial distribution of the electron density at the peak moments of the first and second current pulses satisfies the complementary characteristics, while the spatial distribution at other peak moments does not meet the complementary characteristics. Moreover, the electric field, near the upper dielectric barrier surface, presents a curtain-like distribution with considerable radial electric field components, which results from the non-uniform radial surface charge distribution and the ring electrode configuration. The relative variation of the radial distribution of surface charge density is largely determined by the geometry of the opposite electrode.
Next generation electronics on the ultrawide-bandgap aluminum nitride platform
Authors: Hickman Austin Lee , Chaudhuri Reet , Bader Samuel James , Nomoto Kazuki , Li Lei , Hwang James C M , Grace Xing Huili , Jena Debdeep 
Published: February 2021

Abstract
Gallium nitride high-electron-mobility transistors (GaN HEMTs) are at a point of rapid growth in defense (radar, SATCOM) and commercial (5G and beyond) industries. This growth also comes at a point at which the standard GaN heterostructures remain unoptimized for maximum performance. For this reason, we propose the shift to the aluminum nitride (AlN) platform. AlN allows for smarter, highly-scaled heterostructure design that will improve the output power and thermal management of III-nitride amplifiers. Beyond improvements over the incumbent amplifier technology, AlN will allow for a level of integration previously unachievable with GaN electronics. State-of-the-art high-current p-channel FETs, mature filter technology, and advanced waveguides, all monolithically integrated with an AlN/GaN/AlN HEMT, is made possible with AlN. It is on this new AlN platform that nitride electronics may maximize their full high-power, high-speed potential for mm-wave communication and high-power logic applications.
A coupling method of the superconducting devices modeled by finite element method with the lumped parameters electrical circuit
Authors: dos Santos G , Martins F G R , Sass F , Dias D H N , Sotelo G G , Morandi A 
Published: February 2021

Abstract
Superconducting devices have been widely studied over these years. Their application can be found in cables for electric power transmission, energy storage systems, magnetic levitation, electric machines, and fault current limiters. The literature presents some formulations to model the superconductors’ behavior using the finite element method (FEM), such as the H, the AV, and the T formulations, among others. Many superconducting devices have been simulated and designed using some of these formulations. However, none method available offers a coupling between an electric power system, simulated using electrical lumped parameters, to the superconducting FEM model. In this context, this work introduces a methodology for coupling superconducting devices in FEM to lumped parameters composing the power system. Here, a case study with a Saturated Iron Core Superconducting Fault Current Limiter was presented to apply the proposed methodology. This research analyzes the influence of the self and external fields in the superconducting coil on its critical current density. Moreover, it investigates the DC-biased coil voltage drop and the superconducting resistance. Besides, the paper presents the simulations of short circuits for various DC currents applied to the superconducting coil. Short-circuit tests were performed for validating the simulation results, and it showed a maximum error of 15% for the compared points.
Determination of Si(Li) detector efficiency by experimental and Monte Carlo simulation methods
Authors: Zadehrafi M , Luca A , Ioan M-R 
Published: February 2021

Abstract
In this study, a Si(Li) detector was modeled by MCNP (Monte Carlo n-particle) code and its efficiency was estimated by Monte Carlo simulation in the photon energy range of 5.9–59.54 keV. Experimental measurements using 55Fe, 57Co, and 241Am radioactive standard sources were performed for validation of the applied simulation code. The primary results of the simulation were compared with the experimental ones and considerable discrepancies were observed, especially in the low energy region. Since the dead layers’ thicknesses are not always precisely provided by the manufacturer and even can change during detector aging, they were assumed as the cause of these discrepancies (front dead layer’s thickness being a critical parameter for low energy photons). After adjusting the thicknesses of the front and rear dead layers in a step-by-step procedure, a reasonable agreement was achieved between the simulated and experimental results. The results of this study indicate that if performing an experiment by the detector is difficult for any reason in some energies, one can rely on the MCNP code as an operational tool by interpolation or extrapolation of the available experimental efficiency data (in low energy region).
Influence of Brownian motion and thermophoresis parameters on silver-based Di-Hydrogen CNTs between two stretchable rotating disks
Authors: Shah Zahir , Dawar Abdullah , Islam Saeed 
Published: February 2021

AbstractThe magnetohydrodynamic flow of Silver (Ag) based carbon nanotubes (SWCNTs and MWCNTs) nanofluid between two stretchable rotating disks is presented in this article. The magnetic field is functioned in the tangential direction. The modeled equations are attempted with the homotopy analysis approach. The convergence of the applied approach is shown through figures and tables. The performance of influential factors on velocity (radial, axial and tangential), thermal, and concentration profiles for both CNTs are portrayed through figures. Also, the performance of influential parameters on physical quantities of interests for both CNTs is numerically examined through tables. The velocities along the radial, axial, and tangential directions are intensified with nanoparticles volume fraction CNTs nanoparticles, Reynolds number, and magnetic parameter. The heightening volume fraction of CNTs nanoparticles, thermophoresis, and Brownian motion parameters increased the thermal profile. The concentration profile is escalated with the thermophoresis parameter and Lewis number.
Pressure induced superconducting state in ideal topological insulator BiSbTe3
Authors: Gangwar Vinod K , Kumar Shiv , Singh Mahima , Ghosh Labanya , Zhang Yufeng , Shahi Prashant , Muntwiler Matthias , Patil Swapnil , Shimada Kenya , Uwatoko Yoshiya , Sau Jyotirmoy , Kumar Manoranjan , Chatterjee Sandip 
Published: February 2021

Abstract
Structural, pressure-dependent resistivity, angle resolved photoemission spectroscopy (ARPES), x-ray photoelectron diffraction (XPD) and band structure by DFT calculation have been investigated for BiSbTe3 Topological insulator. It has been demonstrated that the Dirac point of the topological surface state (TSS) located exactly at the Fermi level. Additionally, superconductivity emerges under pressure of 8 GPa with a critical temperature of ∼2.5 K. With further increase of pressure, the superconducting transition temperature (Tc) increases and at 14 GPa it shows the maximum Tc (∼3.3 K). It has also been shown that the surface state remains unchanged under pressure and has been suggested that the origin of the superconductivity is due to the bulk state. The investigation indicates that the BiSbTe3 has robust surface states and becomes superconductor under pressure.
Systematic map of determinants of buildings’ energy demand and CO2 emissions shows need for decoupling
Authors: Mata É , Wanemark J , Cheng S H , Ó Broin E , Hennlock M , Sandvall A 
Published: February 2021

Abstract
Buildings are responsible for a major share of global final energy consumption and carbon dioxide (CO2) emissions. An analysis of the worldwide observed drivers of demand can highlight the policy actions most suited to drive the decarbonization of the building sector. To contribute to such an analysis, we carry out a mapping of the literature on determinants of energy demand and CO2 emissions from buildings. The work includes a list and classification of relevant studies in an on-line geographical map, a description of trends and gaps, and a narrative review. We identify 4080 articles in the Scopus and the Web of Science databases, of which 712 are relevant after screening at the title and abstract level, and 376 are included for data extraction. The literature base mostly addresses electricity and water use, in North America and Europe (57% of the literature) and Asia (27%). Econometric modeling approaches using panel data to calculate demand elasticities, dominate. These findings highlight gaps in terms of the studied variables (only 5% focus on CO2 emissions while a mere 1% have a lifecycle perspective), geographical scope (only 5% of the articles focus on Africa, 7% on Latin America and the Caribbean, and 5% on Oceania), and methodological approach (only 5% use qualitative methods). We confirm that worldwide, income, energy price and outdoor temperature are unequivocal drivers of buildings energy demand and CO2 emissions, followed by other indicators of scale such as population or heated floor area. Our analysis makes it clear that decoupling from rising wealth levels has not been observed. This will continue to challenge reductions in energy use and CO2 emissions from buildings in line with climate targets. Macroeconomic policies focusing on the impacts of income, energy price, population and growing floor area are needed in combination with technical policy to reduce the impact of outdoor climate.
Emulating Target Trials to Improve Causal Inference From Agent-Based Models
Authors: Murray Eleanor J , Marshall Brandon D L , Buchanan Ashley L 
Published: February 2021

AbstractAgent-based models are a key tool for investigating the emergent properties of population health settings, such as infectious disease transmission, where the exposure often violates the key “no interference” assumption of traditional causal inference under the potential outcomes framework. Agent-based models and other simulation-based modeling approaches have generally been viewed as a separate knowledge-generating paradigm from the potential outcomes framework, but this can lead to confusion about how to interpret the results of these models in real-world settings. By explicitly incorporating the target trial framework into the development of an agent-based or other simulation model, we can clarify the causal parameters of interest, as well as make explicit the assumptions required for valid causal effect estimation within or between populations. In this paper, we describe the use of the target trial framework for designing agent-based models when the goal is estimation of causal effects in the presence of interference, or spillover.
Molecular mechanisms and highly functional development for stress tolerance of the yeastSaccharomyces cerevisiae
Authors: Takagi Hiroshi 
Published: February 2021

ABSTRACTIn response to environmental stress, microorganisms adapt to drastic changes while exerting cellular functions by controlling gene expression, metabolic pathways, enzyme activities, and protein–protein interactions. Microbial cells that undergo a fermentation process are subjected to stresses, such as high temperature, freezing, drying, changes in pH and osmotic pressure, and organic solvents. Combinations of these stresses that continue over long terms often inhibit cells’ growth and lead to their death, markedly limiting the useful functions of microorganisms (eg their fermentation ability). Thus, high stress tolerance of cells is required to improve productivity and add value to fermented/brewed foods and biofuels. This review focuses on stress tolerance mechanisms, including l-proline/l-arginine metabolism, ubiquitin system, and transcription factors, and the functional development of the yeast Saccharomyces cerevisiae, which has been used not only in basic science as a model of higher eukaryotes but also in fermentation processes for making alcoholic beverages, food products, and bioethanol.
Clinical and Laboratory Findings in Patients With Potential Severe Acute Respiratory Syndrome Coronavirus 2 (SARS-CoV-2) Reinfection, May–July 2020
Authors: Lee James T , Hesse Elisabeth M , Paulin Heather N , Datta Deblina , Katz Lee S , Talwar Amish , Chang Gregory , Galang Romeo R , Harcourt Jennifer L , Tamin Azaibi , Thornburg Natalie J , Wong Karen K , Stevens Valerie , Kim Kaylee , Tong Suxiang , Zhou Bin , Queen Krista , Drobeniuc Jan , Folster Jennifer M , Sexton D Joseph , Ramachandran Sumathi , Browne Hannah , Iskander John , Mitruka Kiren 
Published: February 2021

Abstract

Background
We investigated patients with potential severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) reinfection in the United States during May–July 2020.

Methods
We conducted case finding for patients with potential SARS-CoV-2 reinfection through the Emerging Infections Network. Cases reported were screened for laboratory and clinical findings of potential reinfection followed by requests for medical records and laboratory specimens. Available medical records were abstracted to characterize patient demographics, comorbidities, clinical course, and laboratory test results. Submitted specimens underwent further testing, including reverse transcription polymerase chain reaction (RT-PCR), viral culture, whole genome sequencing, subgenomic RNA PCR, and testing for anti-SARS-CoV-2 total antibody.

Results
Among 73 potential reinfection patients with available records, 30 patients had recurrent coronavirus disease 2019 (COVID-19) symptoms explained by alternative diagnoses with concurrent SARS-CoV-2 positive RT-PCR, 24 patients remained asymptomatic after recovery but had recurrent or persistent RT-PCR, and 19 patients had recurrent COVID-19 symptoms with concurrent SARS-CoV-2 positive RT-PCR but no alternative diagnoses. These 19 patients had symptom recurrence a median of 57 days after initial symptom onset (interquartile range: 47–76). Six of these patients had paired specimens available for further testing, but none had laboratory findings confirming reinfections. Testing of an additional 3 patients with recurrent symptoms and alternative diagnoses also did not confirm reinfection.

Conclusions
We did not confirm SARS-CoV-2 reinfection within 90 days of the initial infection based on the clinical and laboratory characteristics of cases in this investigation. Our findings support current Centers for Disease Control and Prevention (CDC) guidance around quarantine and testing for patients who have recovered from COVID-19.
Long, Interrupted Conversion Tracts Initiated by cog in Neurospora crassa
Authors: Yeadon P Jane , Catcheside David E A 
Published: February 2021

Abstract
Multiple polymorphisms distinguish Emerson and Lindegren strains of Neurospora crassa within the histidine-3 gene and in its distal flank. Restriction site and sequence length polymorphism in a set of 14 PCR products covering this 6.9-kb region were used to identify the parental origin of DNA sequence information in prototrophic progeny of crosses heterozygous for auxotrophic mutations in his-3 and the silent sequence differences. Forty-one percent of conversion tracts are interrupted. Where the absence of rec-2+ permits activity of the recombination hotspot cog, conversion appears to originate at cog and conversion tracts are up to 5.9 kb long. The chromosome bearing cog L, the dominant allele that confers a high frequency of recombination, is almost invariably the recipient of information. In progeny from crosses heterozygous rec-2/rec-2+, conversion tracts are much shorter, most are not initiated at cog and either chromosome seems equally likely to be converted. Although 32% of his-3 prototrophs have a crossover that may be associated with conversion, it is suggested that the apparent association between conversion and crossing over at this locus may be due to confounding of coincidental events rather than to a mechanistic relationship.
A Mutation in Paramecium tetraurelia Reveals Functional and Structural Features of Developmentally Excised DNA Elements
Authors: Mayer Kimberly M , Mikami Kazuyuki , Forney James D 
Published: February 2021

Abstract
The excision of internal eliminated sequences (IESs) from the germline micronuclear DNA occurs during the differentiation of a new macronuclear genome in ciliated protozoa. In Paramecium, IESs are generally short (28–882 bp), AT rich DNA elements that show few conserved sequence features with the exception of an inverted-terminal-repeat consensus sequence that has similarity to the ends of mariner/Tc1 transposons (Klobutcher and Herrick 1995). We have isolated and analyzed a mutant cell line that cannot excise a 370-bp IESs (IES2591) from the coding region of the 51A variable surface protein gene. A single micronuclear C to T transition within the consensus sequence prevents excision. The inability to excise IES2591 has revealed a 28-bp IES inside the larger IES, suggesting that reiterative integration of these elements can occur. Together, the consensus sequence mutation and the evidence for reiterative integration support the theory that Paramecium IESs evolved from transposable elements. Unlike a previously studied Paramecium IES, the presence of this IES in the macronucleus does not completely inhibit excision of its wild-type micronuclear copy through multiple sexual generations.