bluuebunny/crossref_metadata_2025_split huggingface dataset:
The Lemaître–Hubble diagram in axial Bianchi IX universes with comoving dust
Authors: Valent Galliano , Tilquin André , Schücker Thomas 
Published: December 2023

AbstractAxial Bianchi IX universes have compact, simply connected, homogeneous three-spaces and feature minimal symmetry breaking of the cosmological principle. We consider a positive cosmological constant, comoving dust and a mildly anisotropic expansion in the recent past,z < 6, which might be observable in the near future with the James Webb Space Telescope and the Vera Rubin Observatory. To this end we compute the direction dependent redshift and apparent luminosity of type 1a supernovae.To the memory of Vaughan Jones
HPC-driven computational reproducibility in numerical relativity codes: a use case study with IllinoisGRMHD
Authors: Luo Yufeng , Zhang Qian , Haas Roland , Etienne Zachariah B , Allen Gabrielle 
Published: December 2023

Abstract
Reproducibility of results is a cornerstone of the scientific method. Scientific computing encounters two challenges when aiming for this goal. Firstly, reproducibility should not depend on details of the runtime environment, such as the compiler version or computing environment, so results are verifiable by third-parties. Secondly, different versions of software code executed in the same runtime environment should produce consistent numerical results for physical quantities. In this manuscript, we test the feasibility of reproducing scientific results obtained using the IllinoisGRMHD code that is part of an open-source community software for simulation in relativistic astrophysics, the Einstein Toolkit. We verify that numerical results of simulating a single isolated neutron star with IllinoisGRMHD can be reproduced, and compare them to results reported by the code authors in 2015. We use two different supercomputers: Expanse at SDSC, and Stampede2 at TACC. By compiling the source code archived along with the paper on both Expanse and Stampede2, we find that IllinoisGRMHD reproduces results published in its announcement paper up to errors comparable to round-off level changes in initial data parameters. We also verify that a current version of IllinoisGRMHD reproduces these results once we account for bug fixes which have occurred since the original publication.
Analysis of the adsorption characteristics of SF6 and its decomposition products in ZIF-67: based on GCMC and DFT
Authors: Zeng Fuping , Zhu Kexin , Guo Xinnuo , Li Haotian , Qiu Hao , Tang Ju 
Published: December 2023

Abstract
Given the superior performance of SF6 in arc extinguishing and its wide application in high voltage fields, the search for new adsorbent materials for SF6 and its main decomposition products holds significant importance in mitigating greenhouse gas potential and its implications for the environment and energy sectors. We chose ZIF-67, an organic framework with a high specific surface area and distinctive pore size structure, to address this important issue. Using the grand canonical Monte Carlo simulation approach, we investigated the adsorption of SF6 and its main decomposer gases by ZIF-67 at GPa. The interaction of ZIF-67 with SF6 and its main breakdown products was then examined at the level of atomic orbital interactions, with the adsorption energy and density of states estimated using density functional theory. The findings reveal that ZIF-67 has the best ability to capture H2S, with a saturation capacity of 3.2 mmol g−1 at room temperature. Its adsorption capacity for SOF2 and SO2F2 is about five to seven times higher than that of industrial adsorbents kdhF-03, and the working conditions are milder. The molecule radius and adsorption capacity are tightly correlated. An innovative method for the widespread recovery and treatment of SF6 and its byproducts is presented in this research. This paper aims to provide new insights and solutions to promote sustainable development in the power industry.
High-performance low-profile green electromagnetic interference shielding material for 5G mm-wave using characteristic mode theory
Authors: Li Shuying , Liu Liangliang , Jiang Yuying , Dai Huijuan , Tang Chunzi , Han Guodong , Gu Changqing , Li Zhuo 
Published: December 2023

Abstract
With the rapid development of 5G communication technology, high-frequency electromagnetic interference (EMI) shielding plays a vital role in the normal operation of electrical and electronic equipment and systems, and has attracted surging interest in 5G mm-wave applications. However, many current EMI shielding materials contain highly conductive materials, resulting in strong secondary reflection and environmental pollution. Here, we propose a green high-performance EMI shielding material for 5G mm-wave based on a metamaterial absorber (MMA). Characteristic mode theory and equivalent circuit are employed to inversely design the unit cell’s dimension and structure, as well as the resistive value of the proposed MMA. We reveal that from 22 to 43.5 GHz, the shielding effectiveness of higher than 30 dB, and the standard green index of SER < 3.01 dB and g
s ⩾ 1 can be realized whether the MMA is flat or even bent. Excellent agreement between the measured and simulated results verified the high performance of the proposed EMI shielding MMA. The transmittance of over 85.84% can be achieved within the 380 ∼ 800 nm spectrum. The proposed green EMI shielding material integrates multi-functionalities of low profile, flexibility, polarization-insensitiveness, wide-angle, and optical transparency, and can find potential applications in EMI shielding in complex electromagnetic environments.
Study on the influence of local optical field amplification effect on laser-induced damage of fused silica materials
Authors: Liu Yubo , Cai Jixing , Zhang Zequn , Yu Hao , Li Shun , Li Yi 
Published: December 2023

Abstract
Fused silica is an important part of optical components in large laser systems. Due to the limitation of manufacturing process, impurities and defects in the optical element would greatly reduce the service life of the optical element, and significantly reduce the final output of the laser performance. Aiming at the modulation effect of the internal defect of the component on the internal optical field of the component, the theoretical, simulation and experimental research are carried out. The results show that in the double-bubble impurity coupling, under the same radius R, when the impurity spacing is 1 λ, the local optical field amplification has a maximum value. The effect is equivalent to single-bubble modulation with radius 2 R–3 R. There is an extreme point of the modulated optical field between the air and fused silica crossing line for bubble impurities of different radii. The optical field modulation of small radius impurities is distributed behind the bubble impurities, and the modulation effect of large radius impurities is the maximum when the spacing is 2 λ. The temperature distribution curve of the fused silica element modulated by bubble impurities is consistent with the optical field distribution curve, showing a trend of decreasing slope. The presence of bubble impurities will cause the surface combustion wave of the component to flash and accelerate, and the bubble impurities will increase the generation and expansion rate of the surface combustion wave. This study provides a basis for reducing the uneven distribution of laser energy during the interaction between laser and fused silica, improving the lifetime of the overall optical system, and experimental measurement and analysis.
Defective ZrSe2: a promising candidate for spintronics applications
Authors: Kheirabadi Sharieh Jamalzadeh , Behzadi Fahimeh , Gity Farzan , Hurley Paul K , Khorrami Soroush Karimi , Behroozi Mohammadreza , Sanaee Maryam , Ansari Lida 
Published: December 2023

Abstract
The current study presents the electronic and magnetic properties of monolayer ZrSe2 nanoribbons. The impact of various point defects in the form of Zr or Se vacancies, and their combinations, on the nanoribbon electronic and magnetic properties are investigated using density functional theory calculations in hydrogen-terminated zigzag and armchair ZrSe2 nanoribbons. Although pristine ZrSe2 is non-magnetic, all the defective ZrSe2 structures exhibit ferromagnetic behavior. Our calculated results also show that the Zr and Se vacancy defects alter the total spin magnetic moment with D6Se, leading to a significant amount of 6.34 µB in the zigzag nanoribbon, while the largest magnetic moment of 5.52 µB is induced by D2Se−2 in the armchair structure, with the spin density predominantly distributed around the Zr atoms near the defect sites. Further, the impact of defects on the performance of the ZrSe2 nanoribbon-based devices is investigated. Our carrier transport calculations reveal spin-polarized current-voltage characteristics for both the zigzag and armchair devices, revealing negative differential resistance (NDR) feature. Moreover, the current level in the zigzag-based nanoribbon devices is ∼10 times higher than the armchair devices, while the peak-to-valley ratio is more pronounced in the armchair-based nanoribbon devices. It is also noted that defects increase the current level in the zigzag devices while they lead to multiple NDR peaks with rather negligible change in the current level in the armchair devices. Our results on the defective ZrSe2 structures, as opposed to the pristine ones that are previously studied, provide insight into ZrSe2 material and device properties as a promising nanomaterial for spintronics applications and can be considered as practical guidance to experimental work.
Pressure tuning reverse martensitic transformation in the Mn0.9Co0.1NiGe half-Heusler alloy
Authors: Alves Dos Santos Edileide , França Jessica Kamily Pereira , Dos Santos Adenilson Oliveira , Nurrieli Andira , Do Carmo Danusa , Dos Reis Ricardo Donizeth , Moreira da Silva Luzeli 
Published: December 2023

Abstract
Here we investigate the structural properties of the Mn0.9Co0.1NiGe half-Heusler alloys under pressure up to 12 GPa by Synchrotron angle-dispersive x-ray diffraction (XRD). At room temperature and pressure, the compound exhibits only the hexagonal NiIn2-type structure. Lowering the temperature to 100 K at ambient pressure induces an almost complete martensitic phase transformation to the orthorhombic TiNiSi-type structure. With increasing pressure, the stable orthorhombic phase gradually undergoes a reverse martensitic transformation. The hexagonal phase reaches 85% of the sample when applying 12 GPa of pressure at T = 100 K. We further evaluated the bulk modulus of both hexagonal and orthorhombic phases and found similar values (123.1 ± 5.9 GPa for hexagonal and 102.8 ± 4.2 GPa for orthorhombic). Also, we show that the lattice contraction induced is anisotropic. Moreover, the high-pressure hexagonal phase shows a volumetric thermal contraction coefficient α
v ∼ −8.9(1) × 10−5K−1 when temperature increases from 100 to 160 K, evidencing a significant negative thermal expansion (NTE) effect. Overall, our results demonstrate that the reverse martensitic transition presented on Mn0.9Co0.1NiGe induced either by pressure or temperature is related to the anisotropic contraction of the crystalline arrangement, which should also play a crucial role in driving the magnetic phase transitions in this system.
Finite-size effect on quantum percolation in topological insulators
Authors: Chen Rui , Hua Chun-Bo , Sun Hai-Peng , Zhou Bin 
Published: December 2023

Abstract
We study the finite-size effect on quantum percolation in two-dimensional topological insulators. We demonstrate that the percolation threshold in topological insulators strongly depends on the localization length of the edge states in small clusters due to the finite-size effect. Also, we explain why the percolation threshold in the corresponding classical model determines the lower bound of the quantum percolation threshold in topological insulators. In addition, we extend the percolation model to a more general scenario, where the system is composed of both topological and trivial clusters. We find that the quantum percolation threshold can be less than the classical percolation threshold due to quantum tunneling of the edge states.
Time-resolved heat flux determination from fast-responding temperature-sensitive paint measurement in a shock tunnel using transient in-situ calibration
Authors: Liu Xu , Zhuang Yu , Zhang Yanheng , Wang Gang , Liu Yingzheng , Peng Di 
Published: December 2023

Abstract
Measurement of the global heat flux using fast-responding temperature-sensitive paint (fast TSP) in a shock tunnel is crucial to understanding complex aerothermal effects, but its accuracy is limited by the simplified inverse algorithm as well as the uncertainty in the thermal properties and the thickness of the TSP. In the present work, an in-situ transient calibration method is proposed to determine important parameters in one-dimensional double-layer semi-infinite heat conduction for TSP measurement via heat flux gauges. A fast-converging iterative scheme based on the Levenberg–Marquardt algorithm is used to search for the optimal parameters that minimize the difference between the transient experimental and simulated temperature histories. Furthermore, the heat flux history is determined using the impulse method according to the calibrated parameters. A fast-TSP measurement of 34° ramp flow was conducted at 75 kHz in a Mach-12.1 shock tunnel to validate the proposed method. The results show that the heat flux histories obtained from the TSP and the heat flux gauge results are in good agreement throughout the test period of 11 ms. Moreover, the use of multiple gauges in the calibration further improves the overall consistency of the heat flux amplitude. The in-situ transient calibration method effectively improves the accuracy of the measurement of time-resolved heat flux with relatively low hardware and computational costs.
Plasmon mediated SERS and photocatalysis enhancement in Au nanoparticle decorated 2D-TiSe2
Authors: Sahoo Utkalika P , Sahu Binaya Kumar , Sahoo Subhashree , Das Bidyadhar , Sahoo Pratap K 
Published: December 2023

Abstract
The combination of 2D materials and noble metallic nanostructure is becoming an attractive research domain for label-free, highly sensitive surface-enhanced Raman spectroscopy (SERS) applications. This study demonstrated photocatalysis degradation and SERS enhancements of organic fluorophore (Rhodamine 6G) on two-dimensional (2D) TiSe2 using Raman spectroscopy. The Au nanoparticles (NPs) were decorated on TiSe2 thin films by thermal annealing at variable temperatures. The selective deposition of Au NPs on the hexagonal TiSe2 nanocrystals increases surface roughness, creating a larger surface area for molecule adsorption. It has been observed that the Au decoration at 250 °C on TiSe2 exhibits efficient detection capabilities for R6G with the Raman intensity enhancement factors of the order of ≈105 along with the significantly improved visible light-induced photodegradation efficiency. The optimized Au NP size creates large electromagnetic hot spots produced by strong plasmon coupling that assists in the charge transfer mechanism among TiSe2, Au NPs, and R6G for enhanced SERS and photocatalysis activities. It has been observed that the intensity of Raman scattering decreases as the Au NP size increases on the TiSe2 material. A possible charge transfer mechanism is proposed with an energy band diagram. The simultaneous measurement of SERS and photocatalytic dye degradation in Au decorated TiSe2 can be used as a sensitive technique for water pollution treatment and biodegradable organic contaminants for the environmental ecosystem.
An influence of temperature jump and Navier’s slip-on hybrid nano fluid flow over a permeable stretching/shrinking sheet with heat transfer and inclined MHD
Authors: Sachhin S M , Mahabaleshwar U S , Huang H-N , Sunden B , Zeidan Dia 
Published: December 2023

Abstract
This research article, explores the influence of an inclined magnetic field on the fluid flow over a permeable stretching/shrinking surface with heat transfer. The study use water as a conventional base fluid, with graphene oxide (GO) and Aluminum oxide (Al2O3) nanoparticles submerged to create a nanofluid, the system of governing nonlinear partial differential equations converted into ordinary differential equations via suitable similarity conversions. This allow for the unique solution for stretching sheet/shrinking sheets to be obtained, along with the corresponding temperature solution in terms of the hypergeometric function, several parameters are included in the investigation and their contribution is graphically explained to examine physical characteristics such as radiation, inclined magnetic field, solution domain, volume fraction parameter, and temperature jump. Increasing the volume fraction and thermal radiation increases the thermal boundary layer, increasing the magnetic field parameter and inverse Darcy number increases the temperature and decays the velocity profile. The present work has many useful applications in engineering, biological and physical sciences, as well as in cleaning engine lubricants and thrust-bearing technologies.
The hemodynamic cardiac profiler volume-time curves and related parameters: an MRI validation study
Authors: Konings Maurits K , Sharkawy Manuella Al , Verwijs Sjoerd M , Bakermans Adrianus J , Visscher Martijn , Hollenkamp Charles L , Veelo Denise P , Jørstad Harald T 
Published: December 2023

Abstract

Background. The hemodynamic cardiac profiler (HCP) is a new, non-invasive, operator-independent screening tool that uses six independent electrode pairs on the frontal thoracic skin, and a low-intensity, patient-safe, high-frequency applied alternating current to measure ventricular volume dynamics during the cardiac cycle for producing ventricular volume-time curves (VTCs). Objective. To validate VTCs from HCP against VTCs from MRI in healthy volunteers. Approach. Left- and right-ventricular VTCs were obtained by HCP and MRI in six healthy participants in supine position. Since HCP is not compatible with MRI, HCP measurements were performed within 20 min before and immediately after MRI, without intermittent fluid intake or release by participants. Intraclass correlation coefficients (ICCs) were calculated to validate HCP-VTC against MRI-VTC and to assess repeatability of HCP measurements before and after MRI. Bland–Altman plots were used to assess agreement between relevant HCP- and MRI-VTC-derived parameters. Precision of HCP’s measurement of VTC-derived parameters was determined for each study participant by calculating the coefficients of variation and repeatability coefficients. Main results. Left- and right-ventricular VTC ICCs between HCP and MRI were >0.8 for all study participants, indicating excellent agreement between HCP-VTCs and MRI-VTCs. Mean (range) ICC of HCP right-ventricular VTC versus MRI right-ventricular VTC was 0.94 (0.88–0.99) and seemed to be slightly higher than the mean ICC of HCP left-ventricular VTC versus MRI-VTC (0.91 (0.80–0.96)). The repeatability coefficient for HCP’s measurement of systolic time (tSys) was 45.0 ms at a mean value of 282.9 ± 26.3 ms. Repeatability of biventricular HCP-VTCs was excellent (ICC 0.96 (0.907–0.995)). Significance. Ventricular volume dynamics measured by HCP-VTCs show excellent agreement with VTCs measured by MRI. Since abnormal tSys is a sign of numerous cardiac diseases, the HCP may potentially be used as a diagnostic screening tool.
Simulation of filamentation dynamics of microwave discharge in nitrogen
Authors: Saifutdinov A , Kustova E 
Published: December 2023

Abstract
The present study deals with numerical simulations of microwave (MW) discharges in nitrogen based on extended fluid-dynamic model. The set of governing equations for non-equilibrium gas-discharge plasma includes conservation equations for species number densities, electron energy density, Poisson equation for the electric field coupled to the multi-temperature Navier–Stokes fluid-dynamic equations taking into account thermal nonequilibrium; the power transmitted from MW radiation to electrons is determined from the Helmholtz equation. The kinetic scheme includes 61 reactions involving neutral molecules and atoms in the ground and electronically excited states, ions and electrons. The set of equations is solved for a two-dimensional problem under conditions of experiments at a pressure of 40 and 50 Torr and different electromagnetic wave frequencies and pulse duration. The dynamics of discharge formation and transition from the diffuse to the filament form is studied. The results are compared with experimental data, and a good agreement is shown for the time larger than 10 µs. The possible reasons for discrepancies at a shorter time are discussed and the effect of small oxygen impurities on the quantitative characteristics of the discharge are evaluated. The presence of a small oxygen impurity and seed electrons in the region of discharge formation yields a better agreement between numerical and experimental data.
Impact of rare earth (La, Pr, Eu) impurities on the perovskite SrTiO3 for efficient photocatalytic activity
Authors: Mjahed M , Bouda H , Salmani E , Zahraouy H Ez , Benyoussef A 
Published: December 2023

Abstract
Owing to the growing demand for environmentally friendly technologies across a wide range of fields, including energy, environment and medicine, photocatalytic materials have gained a lot of interest in recent years. First-principles calculations were used in order to examine a variety of physical characteristics such as electronic density of states, structural, optical, and photocatalytic properties of pristine and rare-earth (RE = La, Pr, Eu) doped SrTiO3. The reported electronic band gap of pristine SrTiO3 is Eg = 3.03 eV, which is reasonably consistent with prior theoretical and experimental studies. On the other hand, related to Sr(1−x)RExTiO3, the obtained energy band gaps are 2.75 eV, 2.80 eV, and 2.90 eV associated with Eu-SrTiO3, Pr-SrTiO3, and La-SrTiO3 respectively. The narrowing of the electronic band gap of the studied systems is due to the incorporation of RE-doped SrTiO3, which greatly enhanced the visible light absorption spectra and photocatalytic properties. Thus, it can be concluded that adding RE elements to this kind of materials, is a suitable choice for optoelectronic and photocatalytic applications.
Magnetic effect and chemical distribution study of LCMNO3 perovskite by photoelectron spectroscopy
Authors: Smari Mourad , Moualhi Youssef , Tong Yongfeng , Mansour Said , Rahmouni Hedi 
Published: December 2023

Abstract
The crystal structure, x-ray photoemission spectroscopy, magnetic characteristics, and magnetocaloric performance of perovskite La0.55Ca0.45Mn0.8Nb0.2O3 (LCMNO) ceramic powder were analyzed. The orthorhombic structure with a Pnma space group was found as the main phase in the as-received compound after the XRD pattern refinement. The mixed-valence states of manganese were detected by x-ray photoemission spectroscopy (XPS). The analysis of the La3d line revealed the complex nature of the lanthanum states. The evaluation of Zero-Field-Cooled and Field-Cooled magnetization performance provided conclusive evidence for the existence of the antiferromagnetic Mn3O4 phase at a temperature of TN = 42 K and the coexistence of CO- AFM and FM domains in LCMNO. Despite the observed significant (δTFWHM) value due to relatively low magnetic entropy change (ΔSM), the relative cooling power (RCP) is relatively moderate. By adding Nb4+, the changes in Mn valences and their effect on the magnetic cooling effect are lessened.