bluuebunny/crossref_metadata_2025_split huggingface dataset:
A high-dimensional neural network potential for Co3O4
Authors: Omranpour Amir , Behler Jörg 
Published: December 2024

Abstract
The Co3O4 spinel is an important material in oxidation catalysis. Its properties under catalytic conditions, i.e. at finite temperatures, can be studied by molecular dynamics simulations, which critically depend on an accurate description of the atomic interactions. Due to the high complexity of Co3O4, which is related to the presence of multiple oxidation states of the cobalt ions, to date ab initio methods have been essentially the only way to reliably capture the underlying potential energy surface, while more efficient atomistic potentials are very challenging to construct. Consequently, the accessible length and time scales of computer simulations of systems containing Co3O4 are still severely limited. Rapid advances in the development of modern machine learning potentials (MLPs) trained on electronic structure data now make it possible to bridge this gap. In this work, we employ a high-dimensional neural network potential (HDNNP) to construct a MLP for bulk Co3O4 spinel based on density functional theory calculations. After a careful validation of the potential, we compute various structural, vibrational, and dynamical properties of the Co3O4 spinel with a particular focus on its temperature-dependent behavior, including the thermal expansion coefficient.
Harnessing orbital and valley thermal transport in 2D materials: the significance of inversion symmetry
Authors: Sharma Shivam , De Sarkar Abir 
Published: December 2024

Abstract
Orbitronics and valleytronics, analogous to spintronics, leverage the orbital degree of freedom and the valley degree of freedom of electrons to carry information, promising significant advancements in information processing. In this study, we disentangle the orbital and valley Nernst effect (VNE) in 2D monolayers, based on the global symmetry of the monolayers. We conduct an in-depth analysis of the orbital (valley) Nernst effect in inversion symmetric (asymmetric) monolayers, using an analytical tight binding model. Furthermore, we elucidate the dependence of the two effects on various inherent materials’ parameters using the prototypical Kane–Mele model. Our calculations show that an inversion symmetric gapped Kagome lattice shows a significant orbital Nernst effect emerging from the interatomic contribution, even in the absence of both spin and VNEs. Furthermore, for the inversion asymmetric 2H-phase of TMDs, we elucidate that the valley degree of freedom encompasses the orbital degree of freedom and the VNE can be more accurately described using the orbital degree of freedom, hence termed as the valley-orbital Nernst effect.
Structural evolution and electronic properties of neutral boron-doped nitrogen clusters
Authors: Chen Meicheng , Huang Shu , Fu Peixin , Chen Bole , Chen Chen , Bi Jie , Ding Kewei , Lu Cheng 
Published: December 2024

Abstract
Clusters represent intermediate states between isolated atoms and bulk solids. They serve as model systems to elucidate the physical properties of compounds from the atomic or molecular scale to the macroscopic bulk phase. Here, we perform thorough structure searches of neutral boron doped nitrogen clusters by crystal structural analysis by particle swarm optimization cluster structural prediction and density functional theory calculations. The calculated results indicate that the ground state structures of BN
n
(n= 4–16) clusters are evolutional from one-dimensional chains to two dimensional rings, and finally to three-dimensional (3D) geometries. Interestingly, the intriguing BN12 cluster, characterized by a 3D configuration with a central boron atom connecting four N3 chains in distinct directions, exhibits exceptional stability. The chemical bonding analysis reveals that the outstanding stability of BN12 cluster is attributed to the strong σ and π interactions between the 2p orbitals of the boron atom and the surrounding nitrogen atoms, as well as the robust σ bonds along the four nitrogen chains. The present findings offer important insights for understanding the geometries and electronic properties of neutral boron doped nitrogen clusters and provide an avenue for the design and synthesis of nitrogen-rich compounds.
Converting a power transistor to an optical transducer as an alternative to a commercial photo-detector for the construction of a simple and low-cost photometer
Authors: Bamdad Farzad , Bamdad Amir Mohammad 
Published: December 2024

Abstract
In this article, design and construction of a low-cost and simple homemade photometer for the determination of iron is described. Affordability and availability of required electronic components are two important factors that have been considered in the design of this photometer. An inexpensive low-wattage light-emitting diode was used as the light source, so there was no need to add a filter for wavelength selection. Instead of using a commercial phototransducer, a readily available NPN power transistor (2N3055) was modified as a proper substitute. To do this, the metallic cover of the transistor was carefully cut and removed so that the semiconductor junction of the transistor was revealed. It should be noted that this part of the transistor is photosensitive and can be used as a photo-sensing device. When the electromagnetic radiation strikes this photosensitive part, a small electric current is developed in the corresponding circuit. As this current is proportional to the radiation intensity, thus it is possible to use the uncovered transistor instead of a commercial phototransducer. The output electrical signal of this homemade phototransducer was amplified by a simple current-to-voltage converter and then measured with a digital voltmeter. As an application, the constructed photometer in this work was applied successfully to the assay of the iron content of vitamin tablets.
Artificial intelligence and undergraduate physics education
Authors: Trout Joseph J , Winterbottom Lauren 
Published: December 2024

Abstract
The latest advances in science and technology have resulted in great advances in artificial intelligence (AI), including the creation of chatbots. Chatbots simulate human conversation and allow humans to ask questions and receive answers based on a large volume of electronically stored information. Faculties of universities around the world are trying to come to grips with the availability of AI tools, such as chatbots, and are debating the ethical and moral questions surrounding the use of AI in education. This paper presents the results of a study which intended to answer three research questions. RQ1: how familiar are students with AI and tools that utilize it? RQ2: are students aware of the ethical issues involving AI and are they familiar with the university’s policies regarding the use of AI? RQ3: can ChatGPT be used as an efficient tool to teach science majors to code in Python? In this project, a chatbot was used to instruct students on the use of the Python programming language. Introductory college physics students were tasked with using an AI chatbot, ChatGPT (chat generative pre-trained transformer), to learn how to effectively code in the coding program, Python. Before using ChatGPT to code, the students were given a pre-test survey to determine their skill level in Python coding and their familiarity of AI and issues pertaining the use of AI. After completing exercises in Python coding using ChatGPT, a post-test survey was conducted to determine how well the students have learned to code in Python as well as how effective ChatGPT was in assisting their study.
Comparative study of a microdosimetric biological weighting function for RBE10 modeling in particle therapy with a solid state SOI microdosimeter
Authors: Pan Vladimir A , Parisi Alessio , Bolst David , Williams Jesse , Inaniwa Taku , Jackson Michael , Ahern Verity , Rosenfeld Anatoly B , Tran Linh T 
Published: December 2024

Abstract

Objective: the recently developed V79-RBE10 biological weighting function (BWF) model is a simple and robust tool for a fast relative biological effectiveness (RBE) assessment for comparing different exposure conditions in particle therapy. In this study, the RBE10 derived by this model (through the particle and heavy ion transport code system (PHITS) simulated d(y) spectra) is compared with values of RBE10 using experimentally derived d(y) spectra from a silicon-on-insulator (SOI) microdosimeter. Approach: experimentally measured d(y) spectra are used to calculate an RBE10 value utilizing the V79-RBE10 BWF model as well as the modified microdosimetric kinetic model (MKM) to produce an RBE10-vs-y

D
trend for a wide range of ions. In addition, a beamline specific PHITS simulation was conducted which replicated the exact experimental conditions that were used with the SOI microdosimeter at the heavy ion medical accelerator in Chiba biological beamline with 12C ions. Main Results: the RBE10-vs-y

D
trend for 1H, 4He, 7Li, 12C, 14N, 16O, 20Ne, 28Si, 56Fe, and 124Xe ions is examined with good agreement found between the SOI microdosimeter derived RBE10 values with the V79-RBE10 BWF model and MKM, as well as the PHITS simulations for 1H, 4He, 7Li, 12C, 16O, and 56Fe ions while some discrepancies were seen for 14N, 20Ne, and 28Si ions. Deviations have been attributed to the difference in the derivation of the d(y) spectra based on the different methods utilized. Good agreement was found between y

D
values and an over estimation was observed for RBE10 values for the beamline specific simulation of the 12
C ion beam. Significance: overall, this study shows that the SOI microdosimeter is a valuable tool that can be utilized for quick and accurate experimental derivation of the d(y) spectra, which can then be convoluted with the weighting function of the V79-RBE10 BWF model to derive RBE10. The SOI microdosimeter is able to derive experimental values of y

D
and RBE10 for various ions in any irradiation condition utilizing other radiobiological models.
Spinless topological chirality from Umklapp scattering in twisted 3D structures
Authors: Chen Cong , Zeng Xu-Tao , Yao Wang 
Published: December 2024

Abstract
Spinless systems exhibit unique topological characteristics compared to spinful ones, stemming from their distinct algebra. Without chiral interactions typically linked to spin, an intriguing yet unexplored interplay between topological and structural chirality may be anticipated. Here we discover spinless topological chiralities solely from structural chiralities that lie in the 3D spatial patterning of structureless units, exemplified using two types of twisted graphite systems. In a 3D screw twisted structure without periodicity in all directions, we find a chiral Weyl semimetal phase where bulk topology and chiral surface states are both determined by the screw direction. And in a 3D periodic structure formed with layer-alternating twist angle signs, a higher-order Dirac semimetal with chiral hinge states is discovered. Underlying these novel topological states is the intervalley Umklapp scattering that captures the chirality of the twisted interfaces, leading effectively to a sign-flipped chiral interlayer hopping, thereby introducing π-flux

Z

2

lattice gauge field that alters the symmetry algebra. Our findings point to a new pathway for engineering topological chirality through patterning twisted arrays of featureless units, which can expand the design principles for topological photonics and acoustics.
Chiral polaritonics: cavity-mediated enantioselective excitation condensation
Authors: Riso Rosario R , Castagnola Matteo , Ronca Enrico , Koch Henrik 
Published: December 2024

Abstract
Separation of the two mirror images of a chiral molecule, the enantiomers, is a historically complicated problem of major relevance for biological systems. Since chiral molecules are optically active, it has been speculated that strong coupling to circularly polarized fields may be used as a general procedure to unlock enantiospecific reactions. In this work, we focus on how chiral cavities can be used to drive asymmetry in the photochemistry of chiral molecular systems. We first show that strong coupling to circularly polarized fields leads to enantiospecific Rabi splittings, an effect that displays a collective behavior in line with other strong coupling phenomena. Additionally, entanglement with circularly polarized light generates an asymmetry in the enantiomer population of the polaritons, leading to a condensation of the excitation on a preferred molecular configuration. These results confirm that chiral cavities represent a tantalizing opportunity to drive asymmetric photochemistry in enantiomeric mixtures.
Improving the microstructure and levitation performance of YBa2Cu3O7−
δ bulks with combined-modified precursor powder for HTS maglev
Authors: Zhang Xiwen , Li Tingting , Zhao Yonghai , Yao Xin , Zhou Difan , Deng Zigang 
Published: December 2024

Abstract
High-temperature superconducting (HTS) pinning magnetic levitation (Maglev) vehicles employ HTS bulk superconductors to achieve its unique levitation and guidance feature above the track, making it a promising Maglev vehicle system. However, few studies consider customizing HTS bulk superconductors for a specific application, particularly in the HTS Maglev system, which hinders its development. In this study, a novel approach is introduced, in which the combined-modified precursor powder (C-MPP) is used to enhance the mechanical and superconducting properties of YBa2Cu3O7−δ
(YBCO or Y123) bulks, which are crucial for HTS pinning Maglev system. The C-MPP method integrates conventional precursor powder (CPP) with MPP in a layered configuration. The large-size YBCO bulks prepared by C-MPP reveal that C-MPP samples exhibit reduced deformation and shrinkage compared to MPP, and alleviate the issue of high porosity. Levitation force measurements indicate that C-MPP can provide superior superconducting properties over CPP. Additionally, in consideration of the realistic application settings, a general method is proposed for comparing the levitation force across samples of different sizes, providing a valuable methodology for evaluating the potential of HTS bulks for researchers and engineers. The findings suggest that the C-MPP technique represents a viable advancement for enhancing the efficiency and reliability of the HTS pinning Maglev system in future high-speed transit solutions.
Solving the fractional nonlinear dispersive K(m, n, 1) partial differential equation: techniques and applications
Authors: Alzahrani Abdulrahman B M 
Published: December 2024

Abstract
This paper presents an in-depth analysis of fractional nonlinear dispersive K(m,n,1) equations using two innovative mathematical techniques: These two are the Mohand transform iterative method (MTIM) and the Mohand residual power series method (MRPSM). These methods are used to formulate approximate analytical solutions in the framework of the Caputo operator. The MTIM offers an iterative type solution for fractional differential equations, and the MRPSM gives a series-based solution where nonlinearities are addressed efficiently. The effectiveness of these methods are illustrated through tables and figures, which can impress with their demonstrable result. They also demonstrate that our approaches of MTIM and MRPSM are adequate for solving the fractional nonlinear dispersive equations, which are enhanced compared with the conventional methods. This work significantly enriches the system's knowledge of applying sophisticated mathematical tools to interdisciplinary fractional differential equation problems with diverse bearings in numerous scientific and engineering disciplines.
Low field-induced significant magnetic entropy change owing to short-range magnetic correlations in a triangular lattice antiferromagnet GdZnAl11O19
Authors: Rani Manshi , Mukherjee K 
Published: December 2024

Abstract
Magnetic refrigeration is the epitome of modern cryogenic refrigeration, where magnetocaloric effect play a crucial role. For feasible practical applications, high-performance materials which exhibit large magnetocaloric effect under a low applied magnetic field are required to resolve the manufacturing and economic challenges. In this context, a highly frustrated system, GdZnAl11O19, where Gd3+ forms a quasi 2D triangular lattice is investigated. In this compound, no long-range ordering prevails down to 1.8 K. Magnetization along with field-dependent magnetic entropy change corroborates the existence of short-range magnetic correlations. Moreover, the calculated values of magnetic entropy change and relative cooling power are significant. Further the high value of mechanical efficiency demonstrates GdZnAl11O19 as a promising magnetocaloric material for magnetic refrigeration technology, particularly at cryogenic temperatures and under low magnetic field change.
Role of twin thickness gradient and grain size gradient in work hardening of gradient nanotwinned metals
Authors: Ding Xiaoyang , Yang Zailin , Yang Yong 
Published: December 2024

Abstract
Gradient nanotwinned (GNT) structures exhibit superior strength and work hardening compared to homogeneous nanotwinned (HNT) structures. However, the relative effectiveness of twin thickness gradient (TTG) versus grain size gradient (GSG) on enhancing material properties remains unclear. In this study, the tensile behavior of various homogeneous, TTG, GSG, and dual gradient (DG) nanotwinned (NT) specimens was investigated using molecular dynamics simulations (MDs). The mechanisms of plastic deformation and the additional dislocation densities in different gradient structures were compared. The results indicate that both TTG and GSG structures facilitate dislocation slip within grains by stabilizing grain boundaries (GBs), dispersing shear bands, and promoting grain rotation. For the components in the DG structure, the extra dislocation density generated by the DG structure is approximately the average of the densities produced by the TTG and GSG structures individually. For the gradient structure as a whole, an appropriately designed DG can yield a higher extra dislocation density than a single gradient. This study contributes to the further enhancement of work hardening in NT metals through microstructural design.
Green’s functions of relativistic oscillators with generalized Dunkl derivative: the (1+1)-dimensional case
Authors: Raber Djamel E M , Benzair Hadjira , Boudjedaa Tahar , Merad Mahmoud 
Published: December 2024

Abstract
The Green’s functions for relativistic oscillators with spin-0 and spin-1/2, within the framework of a new generalization of the Dunkl derivative with three parameters, are calculated using the path integral approach. For simplicity, this derivative is reformulated to depend on only two parameters. As a result, the energy eigenvalues and their corresponding wave functions are determined in both cases as functions of the three deformed parameters. In the limiting cases of the deformed parameters, the standard Dunkl derivative system is recovered, even in the absence of the Dunkl parameters.
Effect of Co substitution for Fe on microstructure and magnetic properties of FeNiSiBCuNb alloy ribbons
Authors: Liu 刘 Wen-Feng 文峰 , Yuan 袁 Ya-Ting 雅婷 , Yu 于 Chang-Jiang 长江 , Kang 康 Shu-Jie 树杰 , Zhu 朱 Qian-Ke 乾科 , Chen 陈 Zhe 哲 , Zhang 张 Ke-Wei 克维 , Zhang 张 Min-Gang 敏刚 
Published: December 2024

Abstract
This work investigated the microstructure, magnetic properties, and crystallization kinetics of the as-spun and annealed alloy ribbons of (Fe40−x
Co
x
Ni40Si6.33B12.66Cu1) 0.97Nb0.03, where x = 0, 6, 7, 8, 9, prepared using the melt-spinning method. The results show that adding a moderate amount of Co can improve the glass forming ability (GFA), the first peak crystallization temperature, and thermal stability of the as-spun alloy ribbons. With x = 7, the two-stage crystallization temperature interval ΔTx
= 90 exhibits optimal thermal stability, and the alloy annealed at 673 K for 10 minutes shows the favorable combined magnetic properties, with H
c = 0.12 A/m, M
s = 88.7 A⋅m2/kg, and μ
e = 13800. The magnetic domain results show that annealing removes numerous pinning points in the magnetic domains of the alloy ribbons, making the domain walls smoother and effectively reducing the pinning effect.
Optical signature of flat bands in topological hourglass semimetal Nb3SiTe6
Authors: Cao 曹 Shize 仕泽 , Zhang 张 Cuiwei 翠伟 , Xu 徐 Yueshan 越山 , Zhao 赵 Jianzhou 建洲 , Shi 石 Youguo 友国 , Long 龙 Yun-Ze 云泽 , Luo 雒 Jianlin 建林 , Chen 谌 Zhi-Guo 志国 
Published: December 2024

Abstract
Flat electronic bands in condensed matter provide a rich avenue for exploring novel quantum phenomena. Here, we report an optical spectroscopy study of a topological hourglass semimetal Nb3SiTe6 with the electric field of the incident light parallel to its crystalline ab-plane. The ab-plane optical conductivity spectra of Nb3SiTe6 single crystals exhibit a remarkable peak-like feature around 1.20 eV, which is mainly contributed by the direct optical transitions between the two ab-initio-calculation-derived flat bands along the momentum direction Z–U. Our results pave the way for investigating exotic quantum phenomena based on the flat bands in topological hourglass semimetals.
How does negative triangularity mitigate ITG turbulence and transport?
Authors: Singh Rameswar , Diamond P.H. , Marinoni A. 
Published: December 2024

Abstract
Improved confinement in negative triangularity (NT) experiments is attributed to reduced fluxes driven by micro-turbulence. The physical mechanism of why thermal confinement improves in NT relative to PT is unknown. This study employs gyrokinetic flux tube simulations using the GENE code with local Miller equilibrium to elucidate the physical mechanisms behind the beneficial effects of NT flux surface shapes. The focus is on collisionless ion temperature gradient (ITG) driven turbulence with adiabatic electrons. The kinetic profiles are held fixed across a scan of triangularity values, thus enabling comparisons on a level playing field. The reduced linear growth rates for NT is shown to be due to a reduced eigenmode averaged magnetic drift frequency and a wider, stronger negative local magnetic shear region about the outboard mid-plane. The nonlinear heat flux is lower for NT than that for PT, due to reduced radial correlation length and increased correlation time (

τ

c

) of fluctuations. These, in turn, are due to a comparatively higher level of self-generated zero-frequency E × B zonal shearing rate ω

E
in NT as compared to PT. Though the linear zonal potential residual is lower for NT, the nonlinearly generated E × B zonal shearing rate is higher for NT than for PT. This outcome is linked to the distinctive features of the radial wavenumber spectra of the zonal potential and the zonal shearing rate. The dimensionless parameter

ω

E

τ

c

is suggested as a figure of merit. This is higher for NT than for PT. Thus, the reduced heat diffusivity for NT is linked to increased

ω

E

τ

c

. Self-generated temperature corrugations (i.e. zonal temperature gradients) are much weaker than the background mean temperature gradient. Nevertheless, temperature corrugations are more pronounced in NT than in PT.
Pt/In2O3/g-C3N4 Composite Materials with Enhanced Visible Light Catalytic Performance for Degradation of Rhodamine B and Tetracycline Hydrochloride
Authors: Wang Linfeng , Su Chunyan , Li Min , Xu Mingyi , Wang Baorui , Yang Jiani 
Published: December 2024

Abstract
Pt/In2O3/g-C3N4 composite photocatalytic nanomaterials were prepared by photodeposition and calcination methods. The structure, morphology and optical properties of composites were characterized by SEM, XRD and UV-Vis DRS, and the degradation experiments of Rhodamine B (RhB) and tetracycline hydrochloride (TCH) were carried out under visible light. The results indicate that the construction of the ternary composite system effectively prevents the recombination of photogenerated electrons and holes in semiconductors, and expands the range of visible light response, so that the photocatalytic performance has been enhanced.