bluuebunny/crossref_metadata_2025_split huggingface dataset:
Thermodynamic and kinetic modeling of electrocatalytic reactions using a first-principles approach
Authors: M Vasanthapandiyan , Singh Shagun , Bononi Fernanda , Andreussi Oliviero , Karmodak Naiwrit 
Published: September 2023

The computational modeling of electrochemical interfaces and their applications in electrocatalysis has attracted great attention in recent years. While tremendous progress has been made in this area, however, the accurate atomistic descriptions at the electrode/electrolyte interfaces remain a great challenge. The Computational Hydrogen Electrode (CHE) method and continuum modeling of the solvent and electrolyte interactions form the basis for most of these methodological developments. Several posterior corrections have been added to the CHE method to improve its accuracy and widen its applications. The most recently developed grand canonical potential approaches with the embedded diffuse layer models have shown considerable improvement in defining interfacial interactions at electrode/electrolyte interfaces over the state-of-the-art computational models for electrocatalysis. In this Review, we present an overview of these different computational models developed over the years to quantitatively probe the thermodynamics and kinetics of electrochemical reactions in the presence of an electrified catalyst surface under various electrochemical environments. We begin our discussion by giving a brief picture of the different continuum solvation approaches, implemented within the ab initio method to effectively model the solvent and electrolyte interactions. Next, we present the thermodynamic and kinetic modeling approaches to determine the activity and stability of the electrocatalysts. A few applications to these approaches are also discussed. We conclude by giving an outlook on the different machine learning models that have been integrated with the thermodynamic approaches to improve their efficiency and widen their applicability.
EURAMET.T-K.7 Comparison : Inter-laboratory comparison of triple point of water cells
Authors: Kalemci Murat , Uytun Ali , Hodžić Nedžadeta , Al Otaibi Oqab N , Al Faleh Ismail A , Anagnostou Miltiadis , Flaifel Mustafa 
Published: September 2023

Main text
The purpose of this comparison was to compare the results of the participating laboratories at the triple point of water temperature (TPW) and assess the uncertainty on the practical realization of triple point of water temperature by the participant laboratories and also to support the Calibration and Measurement Capabilities (CMC) entries of the participating laboratories for this fixed point. This comparison was initiated as a EURAMET project with project number 1357. Initially, the participants of the comparison included the Metrology Institutes of Albania (DPM), F.Y.R Macedonia (BOM), Montenegro (MBM) and Serbia (DMDM). But at the later stages of the comparison, these countries understandably chose to leave the comparison instead of repeating the measurements due to an unexpected problem. On the other hand, participants from GULFMET organization, Emirates Metrology Institute (EMI) and National Measurement and Calibration Center at Saudi Standards, Metrology and Quality Organization of the Kingdom of Saudi Arabia (SASO NMCC) and also Jordan National Metrology Institute (JNMI) were included in the comparison after having approvals of each participating laboratory. Then the comparison was registered as Key Comparison with the name EURAMET.T-K7-4 in BIPM KCDB. Finally, two loops was combined together and five institutes performed the comparison with the single circulating TPW Cell. This report presents the results of the TPW comparison and gives detailed information about the measurements made at TUBİTAK UME and participating laboratories.
To reach the main text of this paper, click on Final Report. Note that this text is that which appears in Appendix B of the BIPM key comparison database https://www.bipm.org/kcdb/.
The final report has been peer-reviewed and approved for publication by the CCT, according to the provisions of the CIPM Mutual Recognition Arrangement (CIPM MRA).
(Avoided) crossings in the spectra of matrices with globally degenerate eigenvalues
Authors: Silliman S , Bhattacharya M 
Published: September 2023

Abstract
(Avoided) crossings are ubiquitous in physics and are connected to many physical phenomena such as hidden symmetries, the Berry phase, entanglement, Landau–Zener processes, the onset of chaos, etc. A pedagogical approach to cataloging (avoided) crossings has been proposed in the past, using matrices whose eigenvalues avoid or cross as a function of some parameter. The approach relies on the mathematical tool of the discriminant, which can be calculated from the characteristic polynomial of the matrix, and whose roots as a function of the parameter being varied yield the locations as well as degeneracies of the (avoided) crossings. In this article we consider matrices whose symmetries force two or more eigenvalues to be degenerate across the entire range of variation of the parameter of interest, thus leading to an identically vanishing discriminant. To show how this case can be handled systematically, we introduce a perturbation to the matrix and calculate the roots of the discriminant in the limit as the perturbation vanishes. We show that this approach correctly generates a nonzero ‘reduced’ discriminant that yields the locations and degeneracies of the (avoided) crossings. We illustrate our technique using the matrix Hamiltonian for benzene in Hückel theory, which has recently been discussed in the context of (avoided) crossings in its spectrum.
Partial identification of visible lines from W24+ ions in an electron-beam ion trap
Authors: Li B L , Qu F H , Fu N , Xie Y M , Liu X , Yang Y , Wei B , Zou Y , Xiao J 
Published: September 2023

Abstract
To better understand the structure of the open

4

f

shell, the spectroscopic data in the 420–600 nm range of the highly charged ions of W24+ obtained with an electron beam ion trap are presented. Detailed collisional-radiative (CR) modeling has been used to simulate the spectrum. The atomic structure data for the CR modeling were calculated using the relativistic many-body perturbation theory (RMBPT) and the large-scale relativistic configuration interaction (RCI) method implemented in the flexible atomic code. The two set theoretical calculation wavelengths for six observed lines are in reasonable agreement with the experimental observations, with average deviations of 0.61% for RMBPT and 1.75% for RCI. The relative intensities of the identified lines have also been investigated, revealing a strong correlation to electron density from

n
e

= 109 to 1011 cm−3.
How to benchmark triboelectric nanogenerator: a review
Authors: Chen Chaojie , Xu Guoqiang , Fu Jingjing , Zhang Bo , Guan Dong , Li Chuanyang , Zi Yunlong 
Published: September 2023

Abstract
Triboelectric nanogenerators (TENGs) can convert random mechanical vibrations around the environment into electricity and have huge potential in artificial intelligence, blue energy, carbon neutrality, human–machine interface, e-skin, etc. Although many efforts have been made on the working mechanism and performance enhancement in the past decade, characterizing and evaluating the performance of TENGs remains challenging due to the lack of benchmarking guidelines. Previous works based on different measurement methods and metrics as well as the lack of details result in difficulties in performance comparison. In this review, we discuss fundamental works on electrical measurement and performance evaluation of TENGs. Issues in measurement are elucidated and corresponding solutions are presented. Then, the origin and development of the figure-of-merits (FOMs) of TENGs are reviewed. The standardization not only broadens our understanding but also facilitates the commercialization and industrialization of TENGs. We believe that the correct measurement and fair evaluation can promote the performance assessment of TENGs and the continuous development of this field.
Adaptive spectrum segmentation Ramanujan decomposition and its application to gear fault diagnosis
Authors: Huang Shunqing , Yang Yu , Cheng Jian , Hu Niaoqing , Cheng Zhe 
Published: September 2023

Abstract
Ramanujan Fourier mode decomposition (RFMD) is a novel non-stationary signal decomposition method, which can decompose a complex signal into several components and extract the periodic characteristics of the signal. However, the mode generation method adopted by RFMD does not consider the physical meaning of the component signal, which makes over-decomposition when dealing with real-life gear signals with complex modulation characteristics, thus destroying the integrity of the signal sideband, increasing the difficulty of subsequent analysis, and even losing key fault information. The iterative envelope-segmentation algorithm combines the modulation characteristics of the local fault gear signal and divides the original signal into a limited number of dominant frequency bands containing the modulation region in the Fourier spectrum, thereby ensuring that the obtained frequency bands contain rich fault information. Based on the above algorithm, a new adaptive decomposition method is proposed in this paper, which is adaptive spectrum segmentation Ramanujan decomposition (ASSRD). ASSRD uses fault envelope harmonic noise ratio as the index to evaluate the fault information content of component signals and uses it to assist the iterative envelope-segmentation algorithm to complete the adaptive segmentation of the Fourier spectrum. Finally, based on the segmentation result, the inverse RFT reconstruction of each frequency band is performed. Thus, the signal is decomposed into a finite number of component signals containing rich fault information. In addition, through the experiment on the gear simulation signal and the measured crack fault gear signal, the ASSRD method is compared with the original RFMD method and the existing ensemble empirical mode decomposition (EMD), variational mode decomposition, empirical wavelet transform, and singular spectrum decomposition method, verifying the feasibility and superiority of ASSRD in gear fault diagnosis. Besides, a comparative experiment based on compound faults diagnosis is carried out, in which ensemble EMD, Fourier decomposition method, empirical wavelet transform, and sparse decomposition are involved. The results show that the proposed method can extract the local fault information in the gear signal more effectively, and the performance is better than the comparison method.
CACDT: an approach to cross-machine bearing fault diagnosis
Authors: Zhao Xiaoping , Xu Wenbo , Dai Zhengyi , Lin Zhichen 
Published: September 2023

Abstract
Mechanical fault transfer diagnosis utilizes the acquired diagnostic knowledge of machinery to address diagnostic issues in the target machinery. This approach demonstrates promising results in overcoming the limitations of incomplete fault information and scarce labeled data in the era of big data. However, when confronted with cross-machine fault diagnosis, the significant domain discrepancies pose challenges to traditional fault diagnostic methods, leading to lower accuracy and learning efficiency. To overcome these problems, this work introduces a novel cross-machine bearing fault diagnosis model called Cross-Domain Adaptive Clustering and Dynamic Threshold. The model comprises a feature extraction network and a classifier, and it achieves intra-domain and inter-domain adaptation via adversarial optimization. The feature extraction network minimizes the adversarial adaptive clustering loss, while the classifier maximizes it. Moreover, the model calculates dynamical thresholds for each class in the target domain and generates pseudo-labels for unlabeled samples. This approach increases labeled samples for each category during early training, resulting in a more robust clustering core and improving the learning efficiency of the model. Experimental results show that, in cross-machine fault diagnosis, when the number of labels in the target domain is 5 and 10, the average accuracy reaches 82% and 95.6%, respectively, which is better than the comparison method. The model effectively distinguishes minority samples in class imbalance experiments, and the dynamic thresholds enhance learning efficiency for complex datasets compared to fixed thresholds.
Temperature measurement on copper surfaces for superconducting thin film cavity applications
Authors: Bianchi Antonio , Vandoni Giovanna , Venturini Delsolaro Walter 
Published: September 2023

Abstract
Superconducting radio-frequency (SRF) thin film cavities on copper substrates are employed in several particle accelerators. However, these SRF cavities historically featured a progressive performance degradation with the accelerating field that is still not completely understood. The degradation of cavity performance, which limits the use of this technology in accelerators where the real-estate gradient has to be maximized, is manifested by the presence of heat losses in the superconducting film. However, measuring the temperature on the outer surface of copper substrates is challenging due to the higher thermal conductivity of copper at low temperatures compared to niobium. This study describes how temperature variations on copper surfaces can be satisfactorily measured in view of superconducting thin film cavity applications at liquid helium temperatures. Furthermore, we explore how the thermal exchange between thermometers and copper surfaces, and thermometers and helium bath must be tuned with respect to each other in order to measure accurately temperature rises in the thin film. Our findings suggest that engineering the copper surfaces can improve heat transfer into the helium bath and potentially enhance the performance of thin film SRF cavities.
Robust structured light 3D imaging with two fringe patterns using recurrent classification neural network
Authors: Yang Tao , Liu Hao , Tang Zhenzhong , Gu Feifei 
Published: September 2023

Abstract
Robust and accurate 3D reconstruction using a limited number of fringe patterns has posed a challenge in the field of structured light 3D imaging. Unlike traditional approaches that rely on multiple fringe patterns, using only one or two patterns makes phase recovery and unwrapping difficult. To address this issue, a recurrent classification neural network (RCNN) has been developed, transforming the phase recovery and unwrapping tasks into a unified phase classification task. First, a training dataset consisting of 1200 groups of data was collected to generate a total of 38 400 training samples, enabling the RCNN to learn the mapping between the input fringe patterns and the corresponding label maps. Then, based on the well-trained network, a label map is generated based on the input two fringe patterns using the output classification results. Finally, 3D reconstruction data could be obtained by combining the inferred label map with the vision system’s parameters. A series of comprehensive experiments have been conducted to validate the performance of the proposed method.
Orietation-controlled synthesis and Raman study of 2D SnTe
Authors: Su Yanfei , Ding Chuyun , Yao Yuyu , Fu Rao , Xue Mengfei , Liu Xiaolin , Lin Jia , Wang Feng , Zhan Xueying , Wang Zhenxing 
Published: September 2023

Abstract
Tin telluride (SnTe), as a narrow bandgap semiconductor material, has great potential for developing photodetectors with wide spectra and ultra-fast response. At the same time, it is also an important topological crystal insulator material, with different topological surface states on several common surfaces. Here, we introduce different Sn sources and control the growth of regular SnTe nanosheets along the (100) and (111) planes through the atmospheric pressure chemical vapor deposition method. It has been proven through various characterizations that the synthesized SnTe is a high-quality single crystal. In addition, the angular resolved Raman spectra of SnTe nanosheets grown on different crystal planes are first demonstrated. The experimental results showed that square SnTe nanosheets grown along the (100) plane exhibit in-plane anisotropy. At the same time, we use micro-nanofabrication technology to manufacture SnTe-based field effect transistors and photodetectors to explore their electrical and optoelectronic properties. It has been confirmed that transistors based on grown SnTe nanosheets exhibit p-type semiconductor characteristics and have a high response to infrared light. This work provides a new approach for the controllable synthesis of SnTe and adds new content to the research of SnTe-based infrared detectors.
Investigating damped oscillations in simple pendulum
Authors: Wadhwa Adya , Wadhwa Ajay 
Published: September 2023

Abstract
We describe an experimental set-up of a simple pendulum for the measurement of damping coefficient of oscillations. We have used an Arduino microcontroller with infrared sensor interface to detect the oscillating object in its path. The Arduino program records the instants of time to calculate the time-period and the total number of oscillations. The dependence of damping coefficient on the size, shape and mass of the pendulum bob as well as on the thickness of the pendulum string is investigated.
Torsion balance helps identify ferro-, dia- and paramagnetic materials
Authors: Thompson Frank 
Published: September 2023

Abstract
A neodymium magnet mounted on a torsion balance was placed near samples of ferro- dia- and paramagnetic material held in a plastic container. Similar experiments have used a cotton thread (with no restoring torque) and a pencil as the balance to allow students/pupils to detect the magnetization of many household commodities such as water, Blue-tac, fruit and salt. The present work uses a metallic wire as a suspension which provides a restoring torque due to the elasticity in the wire. Thus, a measurable deflection can be observed when the magnetic and torsion forces balance. For aluminium, the initial negative deflection is a manifestation of Lenz’s law.
The global energy balance of the ASDEX Upgrade tokamak determined with the revised cooling water calorimetry
Authors: Redl A , Hohmann T , Eich T , Vianello N , Bernert M , David P , den Harder N , Herrmann A , Rohde V , Weiland M ,   the ASDEX Upgrade Team,   the EUROfusion MST1 Team
Published: September 2023

Abstract
An extensive analysis of the global energy balance on the ASDEX Upgrade (AUG) tokamak has been performed. For such a purpose a complete revamping of the AUG cooling water calorimetry originally described in (Richter and Vernickel 1994 Rev. Sci. Instrum.
65 5) has been done. The system, which has been largely improved, consists of 88 cooling units, which provides an almost perfect toroidal and poloidal coverage of the in-vessel components of the AUG tokamak. To measure the energy loss due to radiation, which is only partially captured by the cooling water calorimetry, a novel framework is introduced to calculate the losses utilizing bolometric data. The analysis of the global energy balance based on almost 600 discharges reveal the remarkable capability to account more than 95% of the total injected energy on average.
Identification of trapping finer-scale fluctuations in a solitary vortex in linear magnetized plasma
Authors: Arakawa Hiroyuki , Sasaki Makoto , Inagaki Shigeru , Lesur Maxime , Kosuga Yusuke , Kobayashi Tatsuya , Kin Fumiyoshi , Yamada Takuma , Nagashima Yoshihiko , Fujisawa Akihide , Itoh Kimitaka 
Published: September 2023

Abstract
The mutual interaction of drift wave-type modes and zonal flows causes the formation of higher-order nonlinear structures. This study focuses on the spatio-temporal behavior of these higher-order structures in a linear magnetized plasma. The structures include a solitary vortex, a long-lived circumnavigating motion localized both radially and azimuthally, and a short-lived packet of finer-scale fluctuations excited at the position of the solitary vortex. Observing the time evolution of the two-dimensional cross-sectional structures revealed that the packet of finer-scale fluctuations is trapped in the solitary vortex. The trapping times found are consistent with the theoretical evaluation.
Break-even point of the phase-flip error correcting code
Authors: Rozgonyi Áron , Széchenyi Gábor 
Published: September 2023

Abstract
In this theoretical study, we explore the use of quantum code-based memories to enhance the lifetime of qubits and exceed the break-even point, which is critical for the implementation of fault-tolerant quantum computing. Specifically, we investigate the quantum phase-flip repetition code as a quantum memory and theoretically demonstrate that it can preserve arbitrary quantum information longer than the lifetime of a single idle qubit in a dephasing-time-limited system, e.g. in semiconductor qubits. Our circuit-based analytical calculations show the efficiency of the phase-flip code as a quantum memory in the presence of relaxation, dephasing, and faulty quantum gates. Moreover, we identify the optimal repetition number of quantum error correction cycles required to reach the break-even point by considering the gate error probabilities of current platforms for quantum computing. Our results provide guidelines for developing quantum memories in semiconductor quantum devices.
Inflationary cross-correlations of a non-minimal spectator and their soft limits
Authors: Sai P. Jishnu , Jain Rajeev Kumar 
Published: September 2023

Abstract
Light spectator fields may not be dynamically relevant for the inflationary phase of the
early universe, but they can still induce interesting imprints on cosmological observables. In
this paper, we compute the cross-correlations of the inflationary perturbations, both scalar and
tensor, with the fluctuations of a non-minimally interacting spectator field using the in-in
formalism and investigate the consistency relations associated with such cross-correlations. In
particular, the scalar consistency relation is derived semi-classically by generalizing the
consistency relation obtained earlier for cosmic magnetic fields. Notably, we find that the
direct coupling between the inflaton and the spectator solely determines the local non-linearity
parameter associated with the scalar cross-correlation during slow-roll inflation, regardless of
the specific form of the Lagrangian for the spectator field. Further, we calculate the tensor
correlation with spectator fluctuations, explore the associated soft limits, and demonstrate the
violation of the conventional tensor consistency relation with a non-minimal derivative
coupling. Our analysis stresses that the violation of tensor consistency relations does not
necessarily imply the superhorizon evolution of tensor modes. Instead, such violations can arise
due to the non-minimal derivative coupling of the spectator field to gravity. Finally, we discuss
the wider implications of our results in the context of cosmological soft theorems.
Lump solution and interaction solutions to the fourth-order extended (2+1)-dimensional Boiti–Leon–Manna–Pempinelli equation
Authors: Chen Wenxia , Wang Yi , Tian Lixin 
Published: September 2023

Abstract
In this paper, we explore the exact solutions to the fourth-order extended (2+1)-dimensional Boiti–Leon–Manna–Pempinelli equation. Based on Hirota bilinear method, lump solution, periodic cross-kink solutions and bright-dark soliton solutions were investigated. By calculating and solving, the peak and trough of lump solution are obtained, and the maximum and minimum points of each are solved. The three-dimensional plots and density plots of periodic cross-kink solution and bright-dark soliton solution are drawn and the dynamics of solutions under different parameters are observed.