bluuebunny/crossref_metadata_2025_split huggingface dataset:
Investigation of the structural and electronic differences between silver and copper doped ceria using the density functional theory
Authors: Righi Giulia , Benedetti Sara , Magri Rita 
Published: February 2022

Abstract
Using the density functional theory (DFT) we have investigated how Ag and Cu atoms, substitutional to Ce, arrange themselves within Ceria (CeO2) and their effect on the ceria lattice, the oxidation states of the metal atoms, and the oxygen vacancy formation energies. Noble metal doped ceria has been proposed in substitution of platinum for a number of catalytic reactions. We have considered single noble metal atoms substituting Ce atoms in the (111) CeO2 surface unit cell, and investigated the thermodynamic stability of few configurations of one, two, and four Ag or Cu atoms in the unit cell. We have found that the noble metal atoms prefer to be located in the cation layer closer to the surface. An interesting result is that Cu causes a strong lattice distortion contrary to Ag. Ag, instead, causes a stronger reduction (oxygen loss) than Cu, since the electrons released in the oxygen vacancy formation are transferred mainly to Ag atoms, whose oxidation state tends towards +1, their preferred one, as found experimentally. In the Cu doped ceria, instead, part of the electrons reduces cerium atoms from +4 to +3 since Cu tends to stay in the +2 oxidation state, its preferred one. When we increase the concentration of Ag and Cu, substituting four Ce atoms, the noble metal atoms prefer to sit closer to each other, forming structural motifs resembling those typical of the Ag2O and CuO oxides.
Mn and Cu codoped Cs2ZnBr4 metal halide with multiexcitonic emission toward anti-counterfeiting
Authors: Wang Meng , Yang Ruoting , Cheng Shanshan , Li Gaoqiang , Jia Mochen , Chen Xu , Wu Di , Li Xinjian , Shi Zhifeng 
Published: February 2022

Abstract
The growing demand for optical anti-counterfeiting technology requires the development of new environmentally-friendly smart materials with single-component, multimodal fluorescence. Herein, Cs2ZnBr4:0.3Mn2+&0.15Cu+, as an efficient multimodal luminescent material with excitation-wavelength-dependent emission is reported. Under 365 nm and 254 nm UV light excitation, Cs2ZnBr4:Mn2+&Cu+ emits mutually independent green light at 525 nm and blue light at 470 nm, which origin from the emission of Mn2+ and the Cu+ enhanced self-trapped excitons of Cs2ZnBr4, respectively. Furthermore, the multiexcitonic emission is applied to anti-counterfeiting applications and information encryption and decryption engineering. This codoped strategy provides a colorful step to expand the new metal halide materials in fluorescent anti-counterfeiting and information encryption and decryption.
Step-by-step gradual domain adaptation for rotating machinery fault diagnosis
Authors: Sun Haoran , Zeng Jia , Wang Yi , Ruan Hulin , Meng Lihua 
Published: February 2022

Abstract
Deep-learning-based fault diagnosis (FD) methods have shown remarkable superiority in the field of fault prognostic and health management (PHM). However, the performance of a deep neural network relies heavily on a substantial labeled training dataset, which is rare in actual industrial scenarios. Moreover, the extracted fault features under different working conditions follow different joint distribution. As a result, a deep model trained under one condition cannot be extended to others. To address the existing problem, this paper proposes a step-by-step gradual domain adaptive neural network to conduct cross-domain FD, which can realize precise alignment between the source domain and the target domain. Firstly, the maximum mean discrepancy is used to perform primary domain adaptation. Furthermore, two classifiers are set up to limit the discrepancy of target domain data in the classification decision. Finally, the exact alignment of class-level features is achieved by category prototype alignment. The extensive experimental results show the superiority and stability of the proposed method when compared with other conventional approaches.
Surface nanostructures on Nb-doped SrTiO3 irradiated with swift heavy ions at grazing incidence
Authors: Ishikawa N , Fujimura Y , Kondo K , Szabo G L , Wilhelm R A , Ogawa H , Taguchi T 
Published: February 2022

Abstract
A single crystal of SrTiO3 doped with 0.5 wt% niobium (Nb-STO) was irradiated with 200 MeV Au32+ ions at grazing incidence to characterize the irradiation-induced hillock chains. Exactly the same hillock chains are observed by using atomic force microscopy (AFM) and scanning electron microscopy (SEM) to study the relation between irradiation-induced change of surface topography and corresponding material property changes. As expected, multiple hillocks as high as 5–6 nm are imaged by AFM observation in tapping mode. It is also found that the regions in between the adjacent hillocks are not depressed, and in many cases they are slightly elevated. Line-like contrasts along the ion paths are found in both AFM phase images and SEM images, indicating the formation of continuous ion tracks in addition to multiple hillocks. Validity of preexisting models for explaining the hillock chain formation is discussed based on the present results. In order to obtain new insights related to the ion track formation, cross-sectional transmission electron microscopy (TEM) observation was performed. The ion tracks in the near-surface region are found to be relatively large, whereas buried ion tracks in the deeper region are relatively small. The results suggest that recrystallization plays an important role in the formation of small ion tracks in the deep region, whereas formation of large ion tracks in the near-surface region is likely due to the absence of recrystallization. TEM images also show shape deformation of ion tracks in the near-surface region, suggesting that material transport towards the surface is the reason for the absence of recrystallization.
Remarkable decrease in lattice thermal conductivity of transition metals borides TiB2 by dimensional reduction
Authors: Li Ding , Hu Yanxiao , Ding Guangqian , Feng Chunbao , Li Dengfeng 
Published: February 2022

Abstract
Two-dimensional transition metals borides Ti
x
B
x
have excellent magnetic and electronic properties and great potential in metal-ion batteries and energy storage. The thermal management is important for the safety and stability in these applications. We investigated the lattice dynamical and thermal transport properties of bulk-TiB2 and its two-dimensional (2D) counterparts based on density functional theory combined with solving phonon Boltzmann transport equation. The Poisson’s ratio of bulk-TiB2 is positive while it changes to negative for monolayer TiB2. We found that dimension reduction can cause the room-temperature in-plane lattice thermal conductivity decrease, which is opposite the trend of MoS2, MoSe2, WSe2 and SnSe. Additionally, the room temperature thermal conductivity of mono-TiB2 is only one sixth of that for bulk-TiB2. It is attributed to the higher Debye temperature and stronger bonding stiffness in bulk-TiB2. The bulk-TiB2 has higher phonon group velocity and weaker anharmonic effect comparing with its 2D counterparts. On the other hand, the room temperature lattice thermal conductivity of mono-Ti2B2 is two times higher than that of mono-TiB2, which is due to three-phonon selection rule caused by the horizontal mirror symmetry.
Learning-based occupational x-ray scatter estimation
Authors: Maul Noah , Roser Philipp , Birkhold Annette , Kowarschik Markus , Zhong Xia , Strobel Norbert , Maier Andreas 
Published: February 2022

Abstract

Objective. During x-ray-guided interventional procedures, the medical staff is exposed to scattered ionizing radiation caused by the patient. To increase the staff’s awareness of the invisible radiation and monitor dose online, computational scatter estimation methods are convenient. However, such methods are usually based on Monte Carlo (MC) simulations, which are inherently computationally expensive. Yet, in the interventional environment, immediate feedback to the personnel is desirable. Approach. In this work, we propose deep neural networks to mitigate the computational effort of MC simulations. Our learning-based models consider detailed models of the (outer) patient shape and (inner) anatomy, additional objects in the room, and the x-ray tube spectrum to cover imaging settings encountered in real interventional settings. We investigate two cases of scatter prediction. First, we employ network architectures to estimate the full three-dimensional (3D) scatter distribution. Second, we investigate the prediction of two-dimensional (2D) intensity projections that facilitate the intra-procedural visualization. Main results. Depending on the dimensionality of the estimated scatter distribution and the network architecture, the mean relative error of each network is in the range of 12% and 14% compared to MC simulations. However, 3D scatter distributions can be estimated within 60 ms and 2D distributions within 15 ms. Significance. Overall, our method is suitable to support the online assessment of scattered ionizing radiation in the interventional environment and can help to lower the occupational radiation risk.
Development of a GPU-accelerated Monte Carlo dose calculation module for nuclear medicine, ARCHER-NM: demonstration for a PET/CT imaging procedure
Authors: Peng Zhao , Lu Yu , Xu Yao , Li Yongzhe , Cheng Bo , Ni Ming , Chen Zhi , Pei Xi , Xie Qiang , Wang Shicun , Xu X George 
Published: February 2022

Abstract

Objective. This paper describes the development and validation of a GPU-accelerated Monte Carlo (MC) dose computing module dedicated to organ dose calculations of individual patients undergoing nuclear medicine (NM) internal radiation exposures involving PET/CT examination. Approach. This new module extends the more-than-10-years-long ARCHER project that developed a GPU-accelerated MC dose engine by adding dedicated NM source-definition features. To validate the code, we compared dose distributions from the point ion source, including 18F, 11C, 15O, and 68Ga, calculated for a water phantom against a well-tested MC code, GATE. To demonstrate the clinical utility and advantage of ARCHER-NM, one set of 18F-FDG PET/CT data for an adult male NM patient is calculated using the new code. Radiosensitive organs in the CT dataset are segmented using a CNN-based tool called DeepViewer. The PET image intensity maps are converted to radioactivity distributions to allow for MC radiation transport dose calculations at the voxel level. The dose rate maps and corresponding statistical uncertainties were calculated at the acquisition time of PET image. Main results. The water-phantom results show excellent agreement, suggesting that the radiation physics module in the new NM code is adequate. The dose rate results of the 18F-FDG PET imaging patient show that ARCHER-NM’s results agree very well with those of the GATE within −2.45% to 2.58% (for a total of 28 organs considered in this study). Most impressively, ARCHER-NM obtains such results in 22 s while it takes GATE about 180 min for the same number of 5 × 108 simulated decay events. Significance. This is the first study presenting GPU-accelerated patient-specific MC internal radiation dose rate calculations for clinically realistic 18F-FDG PET/CT imaging case involving autosegmentation of whole-body PET/CT images. This study suggests that the proposed computing tools—ARCHER-NM— are accurate and fast enough for routine internal dosimetry in NM clinics.
Inter-patient arrhythmia identification method with RR-intervals and convolutional neural networks
Authors: Zhu Wenliang , Ma Gang , Zheng Lesong , Chen Yuhang , Qiu Lishen , Wang Lirong 
Published: February 2022

Abstract

Objective. The arrhythmia identification method based on the U-net has the potential for fast application. The RR-intervals have been proven to improve the performance of single-heartbeat identification methods. However, because both the heartbeats number and location in the input of the U-net are unfixed, the approach based on the U-net cannot use RR-intervals directly. To solve this problem, we proposed a novel method. The proposed method also can identify heartbeats of four classes, including non-ectopic (N), supraventricular ectopic beat (SVEB), ventricular ectopic beat (VEB), and fusion beat (F). Approach. Our method consists of the pre-processing and the two-stage identification framework. In the pre-processing part, we filtered input signals with a band-pass filter and created the auxiliary waveforms by RR-intervals. In the first stage of the framework, we designed a network to handle input signals and auxiliary waveforms. We proposed a masking operation to separate the input signal into two signals according to the result of the network. The first signal contains heartbeats of SVEB and VEB. The second signal includes heartbeats of N and F. The second stage consists of two networks and can further identify the heartbeats of SVEB, VEB, N, and F from these two signals. Main result. We validated our method on the MIT-BIH arrhythmia database with the inter-patient model. For classes N, SVEB, VEB, and F, our approach achieved F1 scores of 98.26, 68.61, 95.99, and 47.75, respectively. Significance. Our method not only can effectively utilize RR intervals but also can identify multiple arrhythmias.
Standard model physics and the digital quantum revolution: thoughts about the interface
Authors: Klco Natalie , Roggero Alessandro , Savage Martin J 
Published: February 2022

Abstract
Advances in isolating, controlling and entangling quantum systems are transforming what was once a curious feature of quantum mechanics into a vehicle for disruptive scientific and technological progress. Pursuing the vision articulated by Feynman, a concerted effort across many areas of research and development is introducing prototypical digital quantum devices into the computing ecosystem available to domain scientists. Through interactions with these early quantum devices, the abstract vision of exploring classically-intractable quantum systems is evolving toward becoming a tangible reality. Beyond catalyzing these technological advances, entanglement is enabling parallel progress as a diagnostic for quantum correlations and as an organizational tool, both guiding improved understanding of quantum many-body systems and quantum field theories defining and emerging from the standard model. From the perspective of three domain science theorists, this article compiles thoughts about the interface on entanglement, complexity, and quantum simulation in an effort to contextualize recent NISQ-era progress with the scientific objectives of nuclear and high-energy physics.
Design and optimization of DTSCR for high-speed I/O ESD protection of on-chip ICs
Authors: Liang Hailian , Yang Yanni , Sun Jun , Liu Junliang , Cao Xiyue , Gu Xiaofeng 
Published: February 2022

Abstract
A gate-assisted and diode-triggered silicon controlled rectifier with the waffle layout (GDTSCR-WL) is proposed and investigated. By designing the waffle layout in the conventional diode-triggered silicon controlled rectifier (DTSCR), the electrostatic discharge (ESD) performance of the GDTSCR-WL can be used to optimize remarkably, especially for the parasitic capacitance, clamping voltage (V
C), and current handling ability. By further introducing the gate-assisted trigger effect, the GDTSCR-WL can discharge the ESD-induced current more quickly. The technology computer aided design (TCAD) simulations and electrical test results indicate that the GDTSCR-WL has extraordinary ESD performance, such as a V
C of 1.24 V, a turn-on resistance of 0.14 Ω, and the large figure of merit of 5.76 mA μm−2, outperforming dual-diode string and DTSCR. Moreover, by adjusting the width W
1 and space W
2 of diode blocks with the waffle layout, the capacitance of the GDTSCR-WL can be continuously decreased from 140 to 92 fF. The optimized GDTSCR-WL with a small capacitance can pass the 8 kV human body model test, providing an efficient and optional solution for high-speed input/output ESD protection of on-chip ICs.
A neural network-informed self-aware deployable structure with application to phased array antennas
Authors: Gillmer Steven R , Silver Mark J , Jeon Sungeun K 
Published: February 2022

Abstract
State of the art radio frequency (RF) arrays are growing larger in pursuit of increased signal-to-noise ratio. In support of this goal, elaborate forms of metrology are being developed to support the increased footprints. This work provides a unique solution to fulfill the metrology requirements of large-scale deployable RF antennas through the implementation of neural network demodulation of fiber optic strain sensors. The fiber optics are patterned with fiber Bragg gratings (FBGs) to encode strain on to back-reflected shifts in the wavelength of incident light. Experiments show the neural network can predict the deformation of a test structure within single millimeters for small amplitude motions. Therefore, the current technique meets the required

λ

/

20

precision needed for large scale deployable RF arrays operating at S-band or longer wavelengths.
Directed motion of liquid crystal skyrmions with oscillating fields
Authors: Duzgun A , Nisoli C , O Reichhardt C J , Reichhardt C 
Published: February 2022

Abstract
Using continuum simulations, we show that under a sinusoidal electric field, liquid crystal skyrmions undergo periodic shape oscillations which produce controlled directed motion. The speed of the skyrmion is non-monotonic in the frequency of the applied field, and exhibits multiple reversals of the motion as a function of changing frequency. We map out the dynamical regime diagram of the forward and reverse motion for two superimposed ac driving frequencies, and show that the reversals and directed motion can occur even when only a single ac driving frequency is present. Using pulsed ac driving, we demonstrate that the motion arises due to an asymmetry in the relaxation times of the skyrmion shape. We discuss the connection between our results and ratchet effects observed in systems without asymmetric substrates.
The low temperature limit of the excitonic Mott density in GaN: an experimental reassessment
Authors: Mallet-Dida Léo , Disseix Pierre , Réveret François , Médard François , Alloing Blandine , Zúñiga-Pérez Jesús , Leymarie Joël 
Published: February 2022

Abstract
The research on GaN lasers aims for a continuous reduction of the lasing threshold. An approach to achieve it consists in exploiting stimulated polariton scattering. This mechanism, and the associated polariton lasers, requires an in-depth knowledge of the GaN excitonic properties, as polaritons result from the coupling of excitons with photons. Under high excitation intensities, exciton states no longer exist due to the Coulomb screening by free carriers; this phenomenon occurs at the so-called Mott density. The aim of this work is to study the bleaching of excitons under a quasi-continuous optical excitation in a bulk GaN sample of high quality through power dependent micro-photoluminescence and time-resolved experiments at 5 K. Time-resolved photoluminescence allows to measure the carrier lifetime as a function of excitation intensity, which is required for a reliable evaluation of the injected carrier density. The vanishing of excitonic lines together with the red-shift of the main emission evidences the occurrence of the Mott transition for a carrier concentration of (6 ± 3) × 1016 cm−3. This value is more than an order of magnitude smaller than previous determinations published in the literature and is in accordance with many-body calculations.
Two-phase binding of drug in a three-layered arterial wall following stent implantation
Authors: Mandal Akash Pradip , Mandal Prashanta Kumar 
Published: February 2022

Abstract
The present study explores the distribution and the binding of drug eluted from an embedded drug-eluting stent (DES), having struts of the circular cross-section. The arterial tissue is composed of three distinct layers, namely, the intima, the media and the adventitia, with varying diffusivity, and at the interfaces between different layers, a jump condition is imposed. The transport of free drug is modelled by the convection–diffusion-reaction process while the binding of drug is modelled by a nonlinear saturable reversible chemical reaction only. This model incorporates two types of binding mechanisms, namely, the specific binding caused by the interaction of drug and receptors, and the non-specific binding due to the gripping of drug in the extracellular medium (ECM). Furthermore, a constant as well as time-dependent release kinetics have been considered. All the governing equations along with suitable initial, boundary and jump interface conditions in cylindrical polar coordinate system are solved successfully by using the finite difference method. In this study, several clinical key factors like the degree of strut embedment, inter-strut distance (ISD), release mechanism are examined thoroughly. The study reveals that the inclusion of different layers along with jump interface conditions has a remarkable impact on stent-based delivery. Simulated results predict that a higher concentration profile for free drug and rapid saturation of binding sites take place for a half-embedded stent as compared to a quarterly and well-apposed stent. An intriguing feature is to be noted that the inter-strut distance through which the transmural plasma filtration takes place, plays a pivotal role in the distribution and retention of drug in the therapeutic domain considered. Furthermore, the steady-state simulation predicts the influence of strut dimension on the distributions of all drug forms.
Short-range correlation effects in neutron star's radial and non-radial oscillations *
Authors: Hong Bin , Ren ZhongZhou , Mu Xue-Ling 
Published: February 2022

Abstract
In this study, we determine the influence of the nucleon-nucleon short range correlation (SRC) on static spherically symmetric neutron stars (NSs) from the perspectives of radial and nonradial oscillations for the first time. We revise the equation of state and coupling parameters in the relativistic mean field theory after considering the SRC effect, and select the hyperon coupling parameters as the SU(3) model. For the non-radial oscillations, the SRC effect decreases the

-mode frequency by

kHz. For the radial oscillations, it decreases the fundamental radial frequency

by 0.75 ~ 0.85 kHz. Additionally, we refit the linear relationship between the average density and

-mode frequency for SRC. Combining the characteristics of the radial and non-radial frequencies, we provide a view of inferring the maximum mass of NSs. Owing to the characteristics of the SRC influence on the radial frequency, we expect that the SRC can be tested by future observation and can also be used as a probe for the structure inside NSs.