bluuebunny/crossref_metadata_2025_split huggingface dataset:
Lattice dynamical properties of antiferromagnetic oxides calculated using self-consistent extended Hubbard functional method
Authors: Yang Wooil , Jang Bo Gyu , Son Young-Woo , Jhi Seung-Hoon 
Published: May 2022

Abstract
We study the lattice dynamics of antiferromagnetic transition-metal oxides by using self-consistent Hubbard functionals. We calculate the ground states of the oxides with the on-site and intersite Hubbard interactions determined self-consistently within the framework of density functional theory. The on-site and intersite Hubbard terms fix the errors associated with the electron self-interaction in the local and semilocal functionals. Inclusion of the intersite Hubbard terms in addition to the on-site Hubbard terms produces accurate phonon dispersion of the transition-metal oxides. Calculated Born effective charges and high-frequency dielectric constants are in good agreement with experiment. Our study provides a computationally inexpensive and accurate set of first-principles calculations for strongly-correlated materials and related phenomena.
Effects of conjugated structure on electronic and transport properties in organic–inorganic hybrid superlattices Cd2Se2(C2H4N2)1/2
Authors: Li Mingming , Li Jialin , Zhang Xiaojiao , Wu Di , Li Mingjun , Long Mengqiu 
Published: May 2022

Abstract
By inducing π-conjugated organic molecule C2H4N2 in group II–VI based CdSe network structure materials, the band structures and carrier transport of organic–inorganic hybrid superlattices Cd2Se2(C2H4N2)1/2 were investigated via first-principles calculations based on the density functional theory. With different stacking patterns, it is found that the carrier mobility can be modulated by 5–6 orders of magnitude. The physical mechanism of the high carrier mobility in the hybrid structures has been revealed, which means dipole organic layers realize electron delocalization via electrostatic potential difference and build-in electric field. Our calculations shown that the dipole organic layers originate from asymmetric π-conjugated organic molecules and the charges movement between molecules, while symmetric organic molecules tend to electrostatic balance. And although the electronic transport properties were highly restrained by the flat bands of organic layers around Fermi energy in most structures, we found that the collective electrostatic effect can lead to very high electron mobility in AA1 and AA2 stacking systems, which might be attributed to the superposition of molecule electrostatic potential along with electrons transfer between molecules. Furthermore, it is also found that the anisotropy of electron mobility can be modulated via the difference directions of dipole layers.
Defect engineering of oxide surfaces: dream or reality?
Authors: Pacchioni Gianfranco , Rahman Talat S 
Published: May 2022

Abstract
In this brief perspective we analyze the present status of the field of defect engineering of oxide surfaces. In particular we discuss the tools and techniques available to generate, identify, quantify, and characterize point defects at oxide surfaces and the main areas where these centers play a role in practical applications.
An irregular lattice spring model: uniform elasticity, grid refinement and isotropic crack propagation
Authors: Buxton Gavin A 
Published: May 2022

Abstract
The Born lattice spring model (LSM) is implemented on an irregular network. This irregular LSM is directly mapped to linear elasticity theory such that the model can capture an elastically uniform system where the direction of resultant fracture propagation is no longer influenced by a regular lattice structure. Furthermore, this allows the density of nodes to be varied throughout the simulation while maintaining the correct elastic mapping. For the first time, the LSM can be refined around areas of interest such as heterogeneities or crack tips, while capturing the spatial cooperative effects of isotropic fracture propagation in heterogeneous materials.
Probing the charge transfer and electron–hole asymmetry in graphene–graphene quantum dot heterostructure
Authors: Roy Rajarshi , Holec David , Kratzer Markus , Muenzer Philipp , Kaushik Preeti , Michal Lukáš , Kumar Gundam Sandeep , Zajíčková Lenka , Teichert Christian 
Published: May 2022

Abstract
In recent years, graphene-based van der Waals (vdW) heterostructures have come into prominence showcasing interesting charge transfer dynamics which is significant for optoelectronic applications. These novel structures are highly tunable depending on several factors such as the combination of the two-dimensional materials, the number of layers and band alignment exhibiting interfacial charge transfer dynamics. Here, we report on a novel graphene based 0D–2D vdW heterostructure between graphene and amine-functionalized graphene quantum dots (GQD) to investigate the interfacial charge transfer and doping possibilities. Using a combination of ab initio simulations and Kelvin probe force microscopy (KPFM) measurements, we confirm that the incorporation of functional GQDs leads to a charge transfer induced p-type doping in graphene. A shift of the Dirac point by 0.05 eV with respect to the Fermi level (E
F) in the graphene from the heterostructure was deduced from the calculated density of states. KPFM measurements revealed an increment in the surface potential of the GQD in the 0D–2D heterostructure by 29 mV with respect to graphene. Furthermore, we conducted power dependent Raman spectroscopy for both graphene and the heterostructure samples. An optical doping-induced gating effect resulted in a stiffening of the G band for electrons and holes in both samples (graphene and the heterostructure), suggesting a breakdown of the adiabatic Born–Oppenheimer approximation. Moreover, charge imbalance and renormalization of the electron–hole dispersion under the additional influence of the doped functional GQDs is pointing to an asymmetry in conduction and carrier mobility.
Spin–orbit torque driven skyrmion motion under unconventional spin Hall effect
Authors: Zhao Yang , Guo Dongying , Zeng Zhongming , Shen Maokang , Zhang Yue , Tomasello Riccardo , Finocchio Giovanni , Wang Ruilong , Liang Shiheng 
Published: May 2022

Abstract
The effective control of skyrmion motion is a critical aspect for realizing skyrmion-based devices. Among the potential directions, the use of current induced spin–orbit torque (SOT) is energetically efficient. However, the conventional heavy metals with high crystal symmetry limit the charge-to-spin conversion to the orthogonal configuration, which causes the skyrmions to deflect from the electrical current direction with a finite skyrmion Hall angle. Here, we investigate the SOT driven skyrmion motion under unconventional spin Hall effect. We systematically study the effect of a noncollinear low-symmetry spin source layer with spin moments mixed by Rashba-like S
y
, Dresselhaus-like S
x
and out-of-plane like S
z
on skyrmion features (velocity, diameter and Hall angle) stabilized in a ferromagnet/WTe2 heterostructure. Our results may provide a new degree of freedom for controlling the skyrmion Hall angle, and can open the way for the discovery of new ferromagnetic multilayer where the skyrmion Hall angle is suppressed by the proper design of different SOT driven forces.
Galvanotaxis of ciliates: spatiotemporal dynamics of Coleps hirtus under electric fields
Authors: Daul Anna , Lemloh Marie-Louise , Hörning Marcel 
Published: May 2022

Abstract
Galvanotaxis describes the functional response of organisms to electric fields. In ciliates, the electric field influences the electrophysiology, and thus, the cilia beat dynamics. This leads to a change of the swimming direction toward the cathode. The dynamical response to electric fields of Coleps hirtus has not been studied since the observations of Verworn in 1890 Pflüger Arch.
46 267–303. While galvanotaxis has been studied in other ciliates, C. hirtus exhibit properties not found elsewhere, such as biomineralization processes of alveolar plates with impact on the intracellular calcium regulation and a bimodal resting membrane potential, which leads to unique electrophysiological driven bimodal swimming dynamics. Here, we statistically analyze the galvanotactic dynamics of C. hirtus by automated cell tracking routines. We found that the number of cells that show a galvanotactic response, increases with the increase of the applied electric field strength with a mean at about 2.1 V cm−1. The spatiotemporal swimming dynamics change and lead to a statistical increase of linear elongated cell trajectories that point toward the cathode. Further, the increase of the electric fields decreases the mean velocity variance for electric fields larger than about 1.3 V cm−1, while showing no significant change in the absolute velocity for any applied electric field. Fully functional galvanotactic responses were observed at a minimum extracellular calcium concentration of about 5 μM. The results add important insights to the current understanding of cellular dynamics of ciliates and suggest that the currently accepted model lacks the inclusion of the swimming dynamics and the complex calcium regulatory system of the cell. The results of this study not only extend the fundamental understanding of current physical models for galvanotaxis and C. hirtus dynamics, but also open possibilities for technical applications, such as biosensors or microrobots in the future.
Janus VXY monolayers with tunable large Berry curvature
Authors: Liu Wenrong , Li Xinyang , Zhang Changwen , Yan Shishen 
Published: May 2022

Abstract
The Rashba effect and valley polarization provide a novel paradigm in quantum information technology. However, practical materials are scarce. Here, we found a new class of Janus monolayers VXY (X = Cl, Br, I; Y = Se, Te) with excellent valley polarization effect. In particular, Janus VBrSe shows Zeeman type spin splitting of 14 meV, large Berry curvature of 182.73 bohr2, and, at the same time, a large Rashba parameter of 176.89 meV·Å. We use the
k·p
theory to analyze the relationship between the lattice constant and the curvature of the Berry. The Berry curvature can be adjusted by changing the lattice parameter, which will greatly improve the transverse velocities of carriers and promote the efficiency of the valley Hall device. By applying biaxial strain onto VBrSe, we can see that there is a correlation between Berry curvature and lattice constant, which further validates the above theory. All these results provide tantalizing opportunities for efficient spintronics and valleytronics.
Quasi-linear toroidal simulations of resonant magnetic perturbations in eight ITER H-mode scenarios
Authors: Li L. , Liu Y.Q. , Loarte A. , Pinches S.D. , Polevoi A. , Becoulet M. , Huijsmans G.T.A. , Zhong F.C. 
Published: May 2022

Abstract
Both linear and quasi-linear aspects of the plasma response to the resonant magnetic perturbation (RMP) field are numerically investigated for various H-mode scenarios in ITER, covering the pre-fusion power operation and the fusion power operation phases. Linear response computations for eight ITER scenarios, with varying plasma current and toroidal magnetic field, reveal that the best coil current phasing for controlling the type-I edge localized modes (ELMs) scales roughly linearly with the edge safety factor. The coil phasing is defined as the relative toroidal phase of the coil currents between different rows, for a given toroidal harmonic. Quasi-linear initial value simulation, which is the focus of the present study, shows that application of the n = 3 (n is the toroidal mode number) RMP field has a minimum side effect on the plasma core momentum confinement but potentially a large effect on the global particle transport. Generally, the RMP field with the best (worst) coil phasing for ELM control produces the strongest (weakest) effect on the plasma edge flow and the overall density. This robustly holds for all eight ITER scenarios. Consequently, in order to minimize the RMP induced side effects while achieving ELM control (suppression) in ITER, a compromise is necessary in choosing the coil current configuration.
Characterization of BNL and HPK AC-LGAD sensors with a 120 GeV proton beam
Authors: Heller R. , Madrid C. , Apresyan A. , Brooks W.K. , Chen W. , D'Amen G. , Giacomini G. , Goya I. , Hara K. , Kita S. , Los S. , Molnar A. , Nakamura K. , Peña C. , San Martín C. , Tricoli A. , Ueda T. , Xie S. 
Published: May 2022

Abstract
We present measurements of AC-LGADs performed at the
Fermilab's test beam facility using 120 GeV protons. We studied
the performance of various strip and pad AC-LGAD sensors that were
produced by BNL and HPK. The measurements are performed with our
upgraded test beam setup that utilizes a high precision telescope
tracker, and a simultaneous readout of up to 7 channels per sensor,
which allows detailed studies of signal sharing characteristics.
These measurements allow us to assess the differences in designs
between different manufacturers, and optimize them based on
experimental performance. We then study several reconstruction
algorithms to optimize position and time resolutions that utilize
the signal sharing properties of each sensor. We present a world's
first demonstration of silicon sensors in a test beam that
simultaneously achieve better than 6–10 μm position and
30 ps time resolution. This represents a substantial improvement to
the spatial resolution than would be obtained with binary readout of
sensors with similar pitch.
The 3He BF3 Giant Barrel (HeBGB) neutron detector
Authors: Brandenburg K. , Hamad G. , Meisel Z. , Brune C.R. , Carter D.E. , Danley T. , Derkin J. , Jones-Alberty Y. , Kenady B. , Massey T.N. , Paneru S. , Saxena M. , Soltesz D. , Subedi S.K. , Warren J. 
Published: May 2022

Abstract
(α,n) reactions play an important role in nuclear
astrophysics and applications and are an important background source
in neutrino and dark matter detectors. Measurements of total
(α,n) cross sections employing direct neutron detection often
have a considerable systematic uncertainty associated with the
energy-dependent neutron detection efficiency and the unknown
initial neutron energy distribution. The
3He BF3 Giant Barrel (HeBGB) neutron detector
was built at the Edwards Accelerator Laboratory at Ohio University
to overcome this challenge. HeBGB offers a near-constant neutron
detection efficiency of (7.5 ± 1.2)% over the neutron energy
range 0.01 MeV–9.00 MeV, removing a significant source of
systematic uncertainty present in earlier (α,n) cross section
measurements.
Scintillator tile batch test of CEPC AHCAL
Authors: Duan Y. , Jiang J. , Li J. , Li L. , Li S. , Liu D. , Liu J. , Liu Y. , Qi B. , Qian R. , Shen Z. , Shi Y. , Wang X. , Wang Z. , Yang H. , Yu B. , Zhang Y. 
Published: May 2022

Abstract
Hadron calorimeter (HCAL) is an essential sub-detector of
the baseline detector system for Circular Electron Positron Collider
(CEPC). We plan to build an Analog Hadron CALorimeter (AHCAL)
prototype based on the Particle Flow Algorithm (PFA). The AHCAL of
CEPC uses steel as the absorber and scintillator tiles read out by
Silicon Photo-Multipliers (SiPMs) as the sensitive medium. The
energy linearity and resolution of the calorimeter depend on the
light yield uniformity of the sensitive medium. It is essential to
qualify the entire detector production in order to select
scintillator tiles with the uniformity of light yield within
10%. An automated batch test platform has been designed with 144
channels and an automated 3D servo motor. The paper summarizes the
tests performed on more than 15000 scintillator tiles, and the SiPMs
work at 59 V (overvoltage: 5 V). The measured light yield,
corrected for the set-up response non-uniformity, is around
12.9 p.e. About 91.6% of scintillators (14219 pieces) are
qualified within 10% of the light yield window.
Diagnostics of hot electrons leaving the ECR plasma sustained by the high-power gyrotron
Authors: Kiseleva E.M. , Izotov I.V. , Skalyga V.A. 
Published: May 2022

Abstract
Energy distribution of electrons in the electron-cyclotron
resonance (ECR) discharge has a complicated shape as a function of
various parameters that still remains unknown. Meanwhile, it is an
important plasma characteristic. There are some methods and
approaches, which give the possibility to measure or estimate the
properties of the distribution. One of them, similar to the ion mass
spectrometry [1], was used in this work to obtain the energy
distribution of electrons escaping the magnetic confinement in the
non-classical continuous ECR ion source with high (up to
50–100 W/cm3) specific energy input along with
bremsstrahlung spectra. A threshold-like behaviour was discovered,
which comprised of the bursts of energetic electrons, bremsstrahlung
and, supposedly, the development of kinetic instabilities, once the
energy input exceeds a certain level.
Study on pulse shape discrimination power of plastic scintillators
Authors: Jiang T. , Lu P.Z. , Luo G. , Hor Y.K. 
Published: May 2022

Abstract
Nuclear reactor safeguard, based on detection of electron antineutrino flux and energy spectrum, is of great interests to both administrative agencies such as International Atomic Energy Agency (IAEA) and neutrino community. A dominant reaction channel of such detection is inverse beta decay (IBD), for which discrimination of gamma against neutron is critical. In this study, pulse shape discrimination (PSD) is used over plastic scintillator, for its ease of detector assembly, no risk of leakage, and high chemical stability. Using 22Na and 137Cs radioactive sources to calibrate the energy response of the whole system (data acquisition and materials), EJ200 and EJ426 scintillator combination is used as the discrimination setup. The figure of merit (FOM) can reach 9.13 ± 0.01, and could be adopted to build a reactor neutrino safeguard detector. In addition, the PSD of two kinds of plastic scintillators were compared. The FOM of the EJ276 plastic scintillator can reach 1.35 ± 0.01 at the energy threshold of 1 MeV gamma equivalent in comparison to 0.96 ± 0.01 of UPS-113NG at the same energy threshold.
The Majorana Demonstrator readout electronics system
Authors: Abgrall N. , Amman M. , Arnquist I.J. , Avignone F.T. , Barabash A.S. , Barton C.J. , Barton P.J. , Bertrand F.E. , Bhimani K.H. , Bos B. , Bradley A.W. , Burritt T.H. , Busch M. , Buuck M. , Caldwell T.S. , Chan Y-D. , Christofferson C.D. , Chu P.-H. , Clark M.L. , Cooper R.J. , Cuesta C.. , Detwiler J.A. , Drobizhev A. , Edwins D.W. , Efremenko Yu. , Ejiri H. , Elliott S.R. , Gilliss T. , Giovanetti G.K. , Green M.P. , Gruszko J. , Guinn I.S. , Guiseppe V.E. , Haufe C.R. , Hegedus R.J. , Henning R. , Hervas Aguilar D. , Hoppe E.W. , Hostiuc A. , Kidd M.F. , Kim I. , Kouzes R.T. , Li A. , Loach J.C. , Lopez A.M. , López-Castaño J.M. , Luke P.N. , Martin E.L. , Martin R.D. , Massarczyk R. , Meijer S.J. , Mertens S. , Myslik J. , Oli T.K. , Othman G. , Peterson D. , Pettus W. , Poon A.W.P. , Radford D.C. , Rager J. , Reine A.L. , Rielage K. , Robertson R.G.H. , Ruof N.W. , Sayki B. , Stortini M.J. , Tedeschi D. , Turqueti M. , Van Wechel T.D. , Varner R.L. , Vasilyev S. , Vetter K. , Wilkerson J.F. , Wiseman C. , Xu W. , Yaver H. , Yu C.-H. , Zhu B.X. , Zimmermann S. 
Published: May 2022

Abstract
The Majorana Demonstrator comprises two arrays of
high-purity germanium detectors constructed to search for
neutrinoless double-beta decay in 76Ge and other physics beyond
the Standard Model. Its readout electronics were designed to have
low electronic noise, and radioactive backgrounds were minimized by
using low-mass components and low-radioactivity materials near the
detectors. This paper provides a description of all components of
the Majorana Demonstrator readout electronics, spanning the
front-end electronics and internal cabling, back-end electronics,
digitizer, and power supplies, along with the grounding scheme. The
spectroscopic performance achieved with these readout electronics is
also demonstrated.
Bioinspired morphing fins to provide optimal maneuverability, stability, and response to turbulence in rigid hull AUVs
Authors: Randeni Supun , Mellin Emily M , Sacarny Michael , Cheung Skyler , Benjamin Michael , Triantafyllou Michael 
Published: May 2022

Abstract
By adopting bioinspired morphing fins, we demonstrate how to achieve good directional stability, exceptional maneuverability, and minimal adverse response to turbulent flow, properties that are highly desirable for rigid hull AUVs, but are presently difficult to achieve because they impose contradictory requirements. We outline the theory and design for switching between operating with sufficient stability that ensures a steady course in the presence of disturbances, with low corrective control action; reverting to high maneuverability to execute very rapid course and depth changes, improving turning rate by 25% up to 50%; and ensuring at all times that angular responses to external turbulence are minimized. We then demonstrate the developments through tests on a 1 m long autonomous underwater vehicle, named Morpheus. The vehicle is capable of dynamically changing its stability-maneuverability qualities by using tuna-inspired morphing fins, which can be deployed, deflected and retracted, as needed. A series of free-swimming experiments and maneuvering simulations, combined with mathematical analysis, led to the design of optimal retractable morphing fins.
Elastic storage enables robustness of flapping wing dynamics
Authors: Cai Xuefei , Xue Yujing , Kolomenskiy Dmitry , Xu Ru , Liu Hao 
Published: May 2022

Abstract
Flying insects could perform robust flapping-wing dynamics under various environments while minimizing the high energetic cost by using elastic flight muscles and motors. Here we propose a fluid-structure interaction model that couples unsteady flapping aerodynamics and three-torsional-spring-based elastic wing-hinge dynamics to determine passive and active mechanisms (PAM) in bumblebee hovering. The results show that a strategy of active-controlled stroke, passive-controlled wing pitch and deviation enables an optimal elastic storage. The flapping-wing dynamics is robust, which is characterized by dynamics-based passive elevation-rotation and aerodynamics-based passive feathering-rotation, capable of producing aerodynamic force while achieving high power efficiency over a broad range of wing-hinge stiffness. A force-impulse model further confirms the capability of external perturbation robustness under the PAM-based strategy.
Shifting cultivation geographies in the Central and Eastern US
Authors: Burchfield Emily K 
Published: May 2022

AbstractClimate change is projected to transform agricultural systems around the globe. Though climate strongly influences where and how farmers cultivate, millennia of agricultural innovation have expanded cultivation geographies far beyond what sun, soil, and water alone can support. Evaluating how climate interacts with human activity to shape cultivation possibilities for farmers is vital to understanding the impacts of climate change on agriculture. I assess how climate interacts with agricultural activity to shape the cultivation geographies of six major crops: corn, soy, wheat, cotton, hay and alfalfa. For each crop, I modelbiophysical suitability, or the probability of a crop’s occurrence given only biophysical conditions, andagricultural suitability,or the probability of a crops occurrence given biophysical conditions as well as agricultural inputs, farm resources, and farm(er) characteristics. Though biophysical conditions strongly shape cultivation geographies, agricultural activity—particularly the use of crop insurance and agricultural inputs—amplifies and expands the cultivation geographies of these major crops, often into regions biophysically unsuited to their cultivation. I project biophysically driven shifts in cultivation geographies to 2100 under low, moderate, and high emissions scenarios and find that these geographies will shift strongly north, with the Corn Belt becoming unsuitable to the cultivation of corn by 2100. These results indicate that significant agricultural adaptation will benecessaryandinevitablein the Central and Eastern U.S.