Chinese Journal of Physics最新文献

{"title":"Structural, electronic, thermoelectric, optical, and magnetocaloric properties of Mn-based chalcogenide MnAl2Te4: An Ab initio calculations and Monte Carlo simulations","authors":"G. Kadim,&nbsp;R. Masrour","doi":"10.1016/j.cjph.2025.02.038","DOIUrl":"10.1016/j.cjph.2025.02.038","url":null,"abstract":"<div><div>We used the all-electronic full-potential linearized augmented plane wave method to investigate the structural, electronic, thermoelectric, optical, and magnetocaloric properties of MnAl₂Te₄. The compound is characterized as an antiferromagnetic semiconductor. Optical properties, including dielectric function, optical conductivity, absorption, and reflectivity, were analyzed along principal axes to assess optical anisotropy. Thermoelectric properties such as electrical conductivity, thermal conductivity, Seebeck coefficient, and merit factor, were studied using the Boltztrap code, showing high electrical conductivity at elevated temperatures. MnAl₂Te₄ is a promising candidate for thermoelectric applications due to its high optical and thermal resistance. The Néel temperature is found to be 80 K, and at a magnetic field of 6T, the maximum magnetic entropy change, and specific heat are 0.108 J/kg.·K and 19.81 J/mol.·K, respectively.</div></div>","PeriodicalId":10340,"journal":{"name":"Chinese Journal of Physics","volume":"95 ","pages":"Pages 53-63"},"PeriodicalIF":4.6,"publicationDate":"2025-02-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143562845","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Genocchi operational matrix of the differentiation method for phase change process with size-dependent thermal conductivity and mass diffusivity","authors":"Sunil Kumar Sharma ,&nbsp;Narinder Kumar ,&nbsp;Nehad Ali Shah ,&nbsp;Vikas Chaurasiya","doi":"10.1016/j.cjph.2025.02.022","DOIUrl":"10.1016/j.cjph.2025.02.022","url":null,"abstract":"<div><div>The study of variable heat conductivity shows significant contribution in the fields of heat and mass transfer. When phase-change materials (PCMs) experience a temperature difference, they change their original state. This causes a change in thermal conductivity at each instant. In connection with this, the study of a phase change sublimation that accounts for size-dependent thermal conductivity and mass diffusivity is essential to optimizing the sublimation rate, which is still absent and being considered in this work. Modeling accounts for internal heat generation as a function of space and time. A time-dependent flux-type heat source drives sublimation. The Genocchi operational matrix of differentiation method is employed successfully to obtain the numerical results and verified with finite-difference method in the case of full model. The condition for the limitation of the sublimation is derived in the case of full model, and shown that sublimation can take place within the region under the sublimation curve. It is found that with an internal heat source, a greater rate of sublimation is achieved. Moreover, a sublimation model that accounts for fixed heat conductivity, convection, and an internal heat source has a faster sublimation rate than a sublimation model with size-dependent thermal conductivity and the standard sublimation model.</div></div>","PeriodicalId":10340,"journal":{"name":"Chinese Journal of Physics","volume":"95 ","pages":"Pages 529-557"},"PeriodicalIF":4.6,"publicationDate":"2025-02-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143738790","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"DFT+U study of different magnetic configurations for the GdB1-x FexO3 (B = Co, Ru and x = 0.0, 0.5 and 1.0) type perovskite compounds, an overview for their structural, electronic and magnetic properties","authors":"J. Pilo ,&nbsp;M. Romero ,&nbsp;E.P. Arévalo-López ,&nbsp;J.E. Antonio ,&nbsp;H. Muñoz ,&nbsp;J. Vargas-Bustamante ,&nbsp;E. Benítez-Flores ,&nbsp;R. Escamilla","doi":"10.1016/j.cjph.2025.02.034","DOIUrl":"10.1016/j.cjph.2025.02.034","url":null,"abstract":"<div><div>In this study, we investigated the structural, electronic properties, and different magnetic configurations of perovskite systems <span><math><mrow><mi>G</mi><mi>d</mi><msub><mi>B</mi><mrow><mn>1</mn><mo>−</mo><mi>x</mi></mrow></msub><mi>F</mi><msub><mi>e</mi><mi>x</mi></msub><msub><mi>O</mi><mn>3</mn></msub></mrow></math></span> (<em>B</em> = Co, and Ru) with x = 0.0, 0.5, and 1.0. Using density functional theory (DFT), with a) Hubbard U correction (DFT+U), and independently with b) spin-orbit coupling. Results using DFT+U show that the GdCoO₃ (GCO) and GdFeO₃ (GFO) systems with orthorhombic <em>Pbnm</em> structure exhibit an antiferromagnetic G-type (AFM-G) ground state, with a band gap of 0.908 eV and 0.552 eV, respectively. For GdRuO₃ (GRO), with orthorhombic <em>Pnma</em> structure, and GdRu_0.5Fe_0.5O₃ (GRFO), with monoclinic <em>P2₁/n</em> structure, the ground state is an antiferromagnetic C-type (AFM-C) configuration, with a band gap of 0.942 eV and 0.489 eV, respectively. The GdCo_0.5Fe_0.5O₃ (GCFO) with monoclinic <em>P2₁/n</em> structure, the ferrimagnetic (FIM) configuration is most stable with a spin-up band gap of 1.647 eV. On the other hand, using LSDA+SOC, the results show that the lowest magnetic configuration for GRO, GRFO, and GFO systems show contributions in-plane for the calculated magnetic moments; all systems exhibit metallic behavior, except for GFO, which shows semiconductor behavior with a direct band gap of 0.099 eV.</div></div>","PeriodicalId":10340,"journal":{"name":"Chinese Journal of Physics","volume":"95 ","pages":"Pages 157-172"},"PeriodicalIF":4.6,"publicationDate":"2025-02-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143610090","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Fabrication and application of periodic silver hollow nanorod arrays for enhanced photoluminescence","authors":"Sy-Hann Chen ,&nbsp;Yuan-Chin Ko ,&nbsp;Yu-Cen Huang ,&nbsp;Xiang-Ren He ,&nbsp;Hsing-Chih Liang ,&nbsp;Hai-Pang Chiang","doi":"10.1016/j.cjph.2025.02.036","DOIUrl":"10.1016/j.cjph.2025.02.036","url":null,"abstract":"<div><div>This study examines the optical properties of a periodic silver hollow nanorod array (PSHNA) substrate with varying nanorod heights fabricated using a nanosphere lithography method. Finite element method (FEM) simulations were performed to analyze the absorption spectrum and electric field distribution of the PSHNA substrate. The results revealed localized surface plasmon resonance peaks at approximately 560, 580, and 595 nm for nanorod heights of 250, 350, and 450 nm, respectively. The electric field was found to be strongly localized around the nanorods, confirming the unique properties and enhanced photonic behavior of the PSHNA substrate. By adjusting the etching time of inductively coupled plasma reactive-ion etching, the nanorod heights were controlled at 250 ± 5, 350 ± 9, and 450 ± 13 nm to match the simulation conditions of the FEM. Experimental absorption spectra showed a distinct absorption peak near 595 nm for the PSHNA substrate with a nanorod height of 450 ± 13 nm. Photoluminescence (PL) intensity of the 4-(dicyanomethylene)-2-t-butyl-6-(1,1,7,7-tetramethyljulolidyl-9-enyl)-4H-pyran (DCJTB) molecules demonstrated a significant enhancement of 14.68-fold for this particular nanorod height. Additionally, time-resolved PL measurements indicated the shortest PL decay time for the PSHNA substrate with a nanorod height of 450 ± 13 nm, coinciding with the PL band for DCJTB. These findings provide valuable insights for designing and optimizing optical devices based on PSHNA structures.</div></div>","PeriodicalId":10340,"journal":{"name":"Chinese Journal of Physics","volume":"95 ","pages":"Pages 74-81"},"PeriodicalIF":4.6,"publicationDate":"2025-02-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143593312","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Theoretical study for constructing red multiple-resonance thermally activated delayed fluorescence molecules with narrowband emission by donor engineering strategy","authors":"Xin Zhao ,&nbsp;Huanling Liu ,&nbsp;Yuzhi Song ,&nbsp;Lili Lin ,&nbsp;Yuanyuan Xu ,&nbsp;Chuan-Kui Wang ,&nbsp;Jianzhong Fan","doi":"10.1016/j.cjph.2025.02.031","DOIUrl":"10.1016/j.cjph.2025.02.031","url":null,"abstract":"<div><div>The exploration of reducing the full-width at half-maximum (FWHM) without enlarging energy gaps (∆E_ST) in red multi-resonance thermally activated delayed fluorescence (MR TADF) molecule is highly demanded. Herein, based on density functional theory (DFT) and time-dependent density functional theory (TD-DFT) calculations coupled with the thermal vibration correlation function (TVCF) method, we study the excited-state properties and luminescence mechanisms of two reported TADF molecules (PXZ-R-BN and BCz-R-BN). Drawing inspiration from these, we theoretically design four novel red MR TADF molecules by donor engineering strategy with increased electron donation abilities and extended π-conjugations. To accurately predict the excited state energies of these MR TADF molecules, we employ the range-separated double hybrid density functional (B2PLYP), effectively refining the ∆E_ST values. Results show that different donor groups influence the frontier molecular orbitals, thereby reducing the energy gaps. These adjustments effectively optimize the energy levels and transition properties of the excited states, leading to the substantial acceleration of the reverse intersystem crossing (RISC) processes. Furthermore, the designed molecules with extended π-conjugations possess small reorganization energies and minimal nuclear displacements, coupled with short-range charge transfer characteristics. These features contribute significantly to the narrowband emissions. Therefore, it is verified that these four novel red MR TADF molecules strike a favorable balance between the ∆E_ST and the FWHM values. Meanwhile, the intrinsic relationship between molecular structures and photophysical properties is elucidated, paving the way for developing novel and efficient red MR TADF emitters.</div></div>","PeriodicalId":10340,"journal":{"name":"Chinese Journal of Physics","volume":"94 ","pages":"Pages 736-750"},"PeriodicalIF":4.6,"publicationDate":"2025-02-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143527341","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Application of computational fluid dynamics and physics informed neural networks in predicting rupture risk of thoracoabdominal aneurysms with fluid-structure interaction analysis","authors":"M. Abaid Ur Rehman ,&nbsp;Özgür Ekici ,&nbsp;M. Asif Farooq ,&nbsp;Rashid M. Talha ,&nbsp;Sadaf Amir","doi":"10.1016/j.cjph.2025.02.015","DOIUrl":"10.1016/j.cjph.2025.02.015","url":null,"abstract":"<div><div>An aneurysm’s rupture is often linked to its maximum diameter, but biomechanical studies highlight the crucial role of hemodynamic factors, such as blood flow pattern and pressure within the blood vessel, in this process. This study investigates six cases, exploring both axisymmetric (fusiform) and asymmetric (saccular) aneurysm shapes while maintaining a consistent aneurysm diameter and varying the bulge shape factor to induce asymmetry. Hemodynamic factors, including wall shear stress (WSS), wall shear stress gradient (WSSG), and von Mises stress distributions, are computed under both laminar and turbulent flow conditions, reflecting the diastolic and systolic phases, respectively. Our results reveal that recirculation zones, particularly prominent in asymmetric cases, generate vortices within the aneurysm, increasing blood residence time and the likelihood of thrombus formation. Thrombus formation can impede blood flow, raising the risk of embolism or ischemic events. Rupture occurs when WSS exceeds tissue strength, and our findings suggest that rupture risk varies with aneurysm asymmetry. Specifically, hemodynamic factors are more severe in turbulent cases, with the highest values observed in case 2-T, an asymmetric aneurysm with a significant posterior bulge. This case also shows the highest rupture risk, indicated by elevated WSS, WSSG, and von Mises stress, particularly on the anterior side, towards the distal end of the thoracic aortic aneurysm. At this location, the high WSS and WSSG indicate intense fluctuations and flow disturbances, while von Mises stress is also significantly elevated, further increasing the likelihood of rupture. Additionally, we used a synergistic approach that integrates Computational Fluid Dynamics (CFD) with Physics-Informed Neural Networks (PINNs) to compare pressure and velocity distributions along the medial and transverse planes, demonstrating strong agreement. A novel aspect of this study lies in its comprehensive analysis of thoracoabdominal aneurysms, accounting for the influence of aneurysm asymmetry on WSS, WSSG, and von Mises stress. Additionally, both laminar and turbulent flow conditions are explored to reflect the diastolic and systolic phases, respectively.</div></div>","PeriodicalId":10340,"journal":{"name":"Chinese Journal of Physics","volume":"95 ","pages":"Pages 433-454"},"PeriodicalIF":4.6,"publicationDate":"2025-02-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143734654","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Effects of exercise body conditions on hemodynamics of blood flow in saccular ICA aneurysms: Pre- and post-stent-induced deformation","authors":"Chun Ze Ji ,&nbsp;Bowen Wei","doi":"10.1016/j.cjph.2025.02.027","DOIUrl":"10.1016/j.cjph.2025.02.027","url":null,"abstract":"<div><div>Intracranial aneurysms, particularly those located in the internal carotid artery (ICA), present a significant risk of rupture due to abnormal blood flow dynamics. The application of endovascular stents has become a common intervention to modify the flow in these aneurysms. However, the impact of stent-induced deformation on hemodynamics under varying physiological body conditions remains understudied. This work investigates the effects of rest and exercise conditions on blood flow patterns within saccular ICA aneurysms, both before and after stent placement. Computational fluid dynamics (CFD) simulations were performed using patient-specific aneurysm geometries to quantify changes in flow velocity, wall shear stress (WSS), and oscillatory shear index (OSI). The study demonstrates that exercise induces higher flow velocities and increased WSS, potentially elevating rupture risks pre-stenting. Poststent insertion, we observed reduced flow velocities and improved stabilization of hemodynamic parameters, although the extent of deformation plays a critical role in these outcomes. Understanding how physiological conditions influence hemodynamics in stented and non-stented aneurysms may guide personalized treatment approaches and enhance stent design to improve patient outcomes.</div></div>","PeriodicalId":10340,"journal":{"name":"Chinese Journal of Physics","volume":"95 ","pages":"Pages 391-403"},"PeriodicalIF":4.6,"publicationDate":"2025-02-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143716196","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Biomechanical analysis of cilia-induced liquid propulsion in rough porous passageway under magnetic field control: MATLAB- and Mathematica-based simulations","authors":"Zeeshan Asghar ,&nbsp;Muhammad Waris Saeed Khan ,&nbsp;Abeer Alhashash ,&nbsp;Muhammad Asif Gondal","doi":"10.1016/j.cjph.2025.02.028","DOIUrl":"10.1016/j.cjph.2025.02.028","url":null,"abstract":"<div><div>Biological processes like mucus movement in the respiratory tract, circulation of cerebrospinal liquid, and sperm cell propulsion all rely on cilia-driven flow. Understanding the importance of the cilia-driven flow of generalized Newtonian fluid with surface roughness is critical for determining the biomechanics of these mechanisms and their consequences for several kinds of diseases. Motivated by these important applications, this article aims to examine the impact of surface roughness along with magnetic field inside horizontal passage using the Carreau–Yasuda (C.Y) model. Moreover, the effect of the porous medium is also considered. The flow equations are developed using the lubrication approximation. The MATLAB bvp5c and Mathematica NDSolve are utilized to solve boundary value problems. The validation of the numerical approach is made with a limiting case. The impact of various parameters on streamlines, velocity, and pressure gradient are shown graphically. This analysis reveals that surface roughness, magnetic field, and porous medium strongly impact streamline topologies, velocity, and pressure gradient. For accuracy, surface roughness plays a crucial role in developing various medical devices.</div></div>","PeriodicalId":10340,"journal":{"name":"Chinese Journal of Physics","volume":"95 ","pages":"Pages 455-475"},"PeriodicalIF":4.6,"publicationDate":"2025-02-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143738742","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Phase transitions in car-following model integrating the comprehensive deviations collaboration effect under V2X environment","authors":"Guanghan Peng ,&nbsp;Chunli Luo ,&nbsp;Huili Tan","doi":"10.1016/j.cjph.2025.02.024","DOIUrl":"10.1016/j.cjph.2025.02.024","url":null,"abstract":"<div><div>Based on cyber physical systems, a novel car-following model is raised by integrating the comprehensive deviations collaboration effect (CDCE) including headway and speed under V2X environment. The CDCE is intimately connected to the stability condition and mKdV equations through theoretical analysis, which shows that the CDCE effectively promotes the stability of traffic flow. Moreover, the headway variation and the hysteresis loop in traffic system are gradually decreasing owing to amplifying the CDCE through simulation, which reveals that the CDCE greatly alleviates traffic congestion. More importantly, we build a new energy consumption model to investigate the CDCE model. It is found that the CDCE can significantly reduce energy consumption due to cooperating with the CDCE of headway and speed under V2X environmenton.</div></div>","PeriodicalId":10340,"journal":{"name":"Chinese Journal of Physics","volume":"94 ","pages":"Pages 789-797"},"PeriodicalIF":4.6,"publicationDate":"2025-02-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143534519","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Investigating the thermal dynamics of two-layered immiscible fluids in corrugated curved channel with applied heat source","authors":"Nomana Abid,&nbsp;Jafar Hasnain","doi":"10.1016/j.cjph.2025.02.019","DOIUrl":"10.1016/j.cjph.2025.02.019","url":null,"abstract":"<div><div>The corrugated curved channels (CCs) in heat exchangers can enhance the heat transfer where two immiscible fluids are used, by promoting interfacial areas. The results of this study may inspire creative designs for thermal management systems, which could result in the creation of new applications and technology. The corrugations improve the energy collection and conversion efficiency. In solar thermal collectors, a heat source in corrugated curved channels is used to improve solar energy absorption to transfer it to a working fluid. On the other hand, the heat sinks are used to remove the heat that is not needed during the chemical separation processes. With this motivation, the main aim of this study is to analyze the heat transfer enhancement in two-layered immiscible viscous fluids (VFs) flow by using the heat source/sink phenomenon. The curved channel is divided into two regions. Both regions are occupied with VFs having different viscosities. The flow is caused by a constant pressure gradient. The analytical expressions for velocity and temperature are obtained through the perturbation series method (in terms of small corrugation amplitude <span><math><mrow><mrow><mi>ε</mi></mrow><mo>≪</mo><mn>1</mn></mrow></math></span>) by solving the mathematical model of partial differential equations. The effect of different parameters on fluid and heat flow is analyzed through graphs and contours. Moreover, the shear stresses (SS) at the walls of CC with corrugated boundaries, rate of heat transport and volume flow rate (VFR) are also analyzed and discussed. The results show that the heat is more enhanced when a heat source is provided to the system whereas a heat sink causes a fall in heat through the immiscible VFs flow. So, to enhance the heat when necessary, a heat source can be used in corrugated CC. Furthermore, SS is decreased when the wavenumber is increased. The wavenumber implies a small corrugation wavelength which leads to a more undulating path. For this type of path, a larger amount of SS is needed for fluid to flow at walls.</div></div>","PeriodicalId":10340,"journal":{"name":"Chinese Journal of Physics","volume":"95 ","pages":"Pages 190-204"},"PeriodicalIF":4.6,"publicationDate":"2025-02-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143620216","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}