Computational Condensed Matter最新文献

{"title":"Peierls distortion and orbital ordering in the metal-insulator transition of VO2 (B)","authors":"Sarajit Biswas","doi":"10.1016/j.cocom.2025.e01180","DOIUrl":"10.1016/j.cocom.2025.e01180","url":null,"abstract":"<div><div>In this study, the structural, electronic, and magnetic properties of VO₂ (B) are extensively investigated by employing DFT calculations. Two distinct vanadium sites, namely V1 and V2 are identified. The distortions within the V1O₆ and V2O₆ octahedra lead to structural deformation in VO₂ (B). The formation of two types of parallelogram-shaped four-chain columns (PSFCCs) significantly reduces the crystal symmetry. The emergence of V-V dimers in all V-V double chains along the <em>a</em>-axis leads to Peierls distortion in the structure. The sharing of the 0.6/1.5 V1/V2-3d electrons by the V1/V2-t_2g states in both spin channels results in the metallic behaviour of VO₂ (B). The opposite orientations of equal numbers of V1/V2-3d electrons in the two spin channels account for the nonmagnetic behaviour of the present material. This material encounters a metal to half-metal transition at U = 2 eV, exhibiting ferromagnetism. The half-metallic behaviour is maintained up to U = 4 eV and the system eventually encounters a metal-insulator transition (MIT) upon applying U = 5 eV, preserving ferromagnetism. The transfer of electrons from the V2-3d states to the V1-3d states is observed for U = 2–5 eV. The partial filling of the V1/V2-d_xy, d_yz and d_xz states for the majority spin channel facilitates the half-metallic behaviour of VO₂ (B). In the MIT, transfer of electrons is observed from the V1-d_yz (V2-d_xy and d_yz) states to the V1-d_xy (V2-d_xz) state, implying orbital ordering (OO). Consequently, the correlation-driven OO among the V-3d states results in the MIT in VO₂ (B). The ferromagnetism in half-metallic and insulating VO₂ (B) is attributed to the simultaneous effect of the p-d hybridization between O-2p and V-3d states and, antiferromagnetic coupling between V1/V2 and O ions.</div></div>","PeriodicalId":46322,"journal":{"name":"Computational Condensed Matter","volume":"45 ","pages":"Article e01180"},"PeriodicalIF":3.9,"publicationDate":"2025-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145614391","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Integrated computational and machine learning study of elastic, thermophysical, and ultrasonic properties of LiPb alloy","authors":"Anurag Singh ,&nbsp;Devraj Singh ,&nbsp;Rabah Khenata ,&nbsp;Ajit Kumar Maddheshiya ,&nbsp;Akila Boumaza ,&nbsp;Saleem A. Khan ,&nbsp;S. Bin-Omran ,&nbsp;Souraya Goumri-Said","doi":"10.1016/j.cocom.2025.e01162","DOIUrl":"10.1016/j.cocom.2025.e01162","url":null,"abstract":"<div><div>This study investigates the elastic stability of lithium-lead (LiPb) alloy by calculating second- and third-order elastic constants across a temperature range of 0–500K using the Born-Mayer potential model. Mechanical parameters derived from second-order elastic constants indicate that LiPb behaves as a ductile material at room temperature, as reflected by the Pugh ratio. The 3D visualizations of Young's modulus (<em>E</em>), bulk modulus (<em>B</em>), and shear modulus (G) demonstrate the anisotropic nature of LiPb. Ultrasonic velocity and attenuation evaluations indicate that the &lt;100&gt; direction is optimal for ultrasonic wave transmission, resulting in the lowest total attenuation. The Debye temperature and thermal conductivity decrease with rising temperature, illustrating the temperature-dependent thermophysical properties. These results give us important information for industrial uses that need mechanical and ultrasonic stability. Additionally, a machine learning (ML) technique employing Random Forest regression was employed to forecast thermal conductivity based on elastic constants, ultrasonic velocities, and crystallographic orientation. The model accurately represented the anisotropic and temperature-sensitive properties of LiPb, with SHAP analysis pinpointing temperature, direction, and elastic stiffness (C₁₁, C₁₂) as critical predictive variables. This data-driven method is a useful predictive tool that can be used alongside traditional simulations to screen materials for thermal applications.</div></div>","PeriodicalId":46322,"journal":{"name":"Computational Condensed Matter","volume":"45 ","pages":"Article e01162"},"PeriodicalIF":3.9,"publicationDate":"2025-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145416824","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"α-, β-, and γ-TODD-G: Novel 2D planar carbon allotropes","authors":"Kleuton A.L. Lima ,&nbsp;Jose A.S. Laranjeiras ,&nbsp;Alysson M.A. Silva ,&nbsp;Bill D. Aparicio-Huacarpuma ,&nbsp;Fabrício M. Vasconcelos ,&nbsp;Julio R. Sambrano ,&nbsp;Douglas S. Galvão ,&nbsp;Luiz A. Ribeiro Junior","doi":"10.1016/j.cocom.2025.e01154","DOIUrl":"10.1016/j.cocom.2025.e01154","url":null,"abstract":"<div><div>We report a comprehensive first-principles investigation of three novel two-dimensional carbon allotropes: <span><math><mi>α</mi></math></span>-, <span><math><mi>β</mi></math></span>-, and <span><math><mi>γ</mi></math></span>-TODD-Graphene (TODD-G), composed of 3–8–12–16, 3–8–12–16, as 3–4–8–12 interconnected carbon rings with sp/sp<span><math><msup><mrow></mrow><mrow><mn>2</mn></mrow></msup></math></span> hybridization, respectively. Structural optimization, phonon spectra, and <em>ab initio</em> molecular dynamics confirm their thermal and dynamic stability. All phases exhibit metallic electronic character, with distinct Dirac-like features and tilted Dirac cones suggesting anisotropic charge transport. Mechanical analysis reveals tunable anisotropy: <span><math><mi>α</mi></math></span>-TODD-G is strongly anisotropic, <span><math><mi>β</mi></math></span>-TODD-G displays moderate anisotropy, and <span><math><mi>γ</mi></math></span>-TODD-G shows near-isotropic mechanical response. Optical spectra further distinguish the phases, with <span><math><mi>γ</mi></math></span>-TODD-G showing pronounced absorption in the infrared, while <span><math><mi>α</mi></math></span>- and <span><math><mi>β</mi></math></span>-TODD-G absorb mainly in the visible and UV regions.</div></div>","PeriodicalId":46322,"journal":{"name":"Computational Condensed Matter","volume":"45 ","pages":"Article e01154"},"PeriodicalIF":3.9,"publicationDate":"2025-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145324452","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"In-depth study of the structural, magnetic, electronic and optical properties according to the first principles of the Ag2NdIn","authors":"A. El Galta,&nbsp;R. Masrour","doi":"10.1016/j.cocom.2025.e01129","DOIUrl":"10.1016/j.cocom.2025.e01129","url":null,"abstract":"<div><div>A new rare-earth-based full-Heusler compound, Ag₂NdIn, has been investigated employing the full-potential linearized augmented plane wave (FP-LAPW) approach. The structural properties were examined within the framework of the generalized gradient approximation (GGA), using the Perdew–Burke–Ernzerhof (PBE) parameterization for the exchange–correlation functional. The results show that the compound is structurally stable in the AlCu₂Mn phase (ferromagnetic configuration), with an optimized lattice parameter of a = 7.187 Å. The electronic and magnetic properties were explored utilizing GGA, GGA + U and modified Becke–Johnson (mBJ) potentials, with explicit inclusion of spin–orbit coupling (SOC). The compound exhibits a total magnetic moment of 3.624 μ_B, highlighting strong ferromagnetic behavior. Finally, the optical properties were analyzed, including several energy-dependent parameters such as the energy loss function, refractive index, and other related quantities.</div></div>","PeriodicalId":46322,"journal":{"name":"Computational Condensed Matter","volume":"45 ","pages":"Article e01129"},"PeriodicalIF":3.9,"publicationDate":"2025-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144932406","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Tailoring electronic, optical, and thermoelectric properties of AlN-TiO2 and GaN-TiO2 heterostructures: A pathway to next-generation energy harvesting technologies","authors":"Abdullah ,&nbsp;Ali H. Reshak ,&nbsp;Fawad Khan ,&nbsp;Muhammad Ilyas ,&nbsp;Haroon Ur Rashid ,&nbsp;Sikander Azam ,&nbsp;Dania Ali","doi":"10.1016/j.cocom.2025.e01171","DOIUrl":"10.1016/j.cocom.2025.e01171","url":null,"abstract":"<div><div>Combining Density functional theory (DFT) based calculations with Boltzman transport formalism, thermoelectric transport properties of semiconducting two-dimensional AlN-TiO₂ and GaN-TiO₂ van der Waal heterostructures are investigated in strain free and strained condition. We computed electronic, optical and thermoelectric properties of these heterostructures. We find that AlN-TiO₂ heterostructure is direct band semiconductors having type-II band alignment in unstrained condition. While GaN-TiO₂ heterostructure is indirect band gap semiconductor having type-II band alignment in unstrained condition. Transition from direct (indirect) to indirect (direct) band is observed in AlN-TiO₂ (GaN-TiO₂) with compressional strain. With strain the band alignment remains type-II for both compressive and tensile strain. For thermoelectric properties we have calculated the Seebeck coefficient (S), electrical conductivity per relaxation time (σ/τ) and power factor (PF) at 300K. Analysis of the power factor revealed a preference for p-type doping under zero strain conditions, whereas changes in power factor values induced by strain underscored the potential for tuning the thermoelectric performance of these heterostructures.</div></div>","PeriodicalId":46322,"journal":{"name":"Computational Condensed Matter","volume":"45 ","pages":"Article e01171"},"PeriodicalIF":3.9,"publicationDate":"2025-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145519490","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"High-pressure antiferrodistortive tilts, cohesive energies, and electronic structure of the perovskite BaZrO3: Bridging theory and experiment via sX-LDA","authors":"Rachid Baghdad","doi":"10.1016/j.cocom.2025.e01157","DOIUrl":"10.1016/j.cocom.2025.e01157","url":null,"abstract":"<div><div>We present a first-principles study of the high-pressure behavior of the perovskite oxide BaZrO₃ in its cubic (<span><math><mrow><mi>P</mi><mi>m</mi><mover><mn>3</mn><mo>‾</mo></mover><mi>m</mi></mrow></math></span>), tetragonal (<span><math><mrow><mi>I</mi><mn>4</mn><mo>/</mo><mi>m</mi><mi>c</mi><mi>m</mi></mrow></math></span>), rhombohedral (<span><math><mrow><mi>R</mi><mover><mn>3</mn><mo>‾</mo></mover><mi>c</mi></mrow></math></span>), and orthorhombic (<span><math><mrow><mi>I</mi><mi>m</mi><mi>m</mi><mi>a</mi></mrow></math></span>) polymorphs. Using density functional theory within the screened-exchange local density approximation (sX-LDA) and generalized gradient approximation (GGA), we analyze structural stability, enthalpy differences, elastic properties, phonon dispersions, and electronic structure from 0 to 150 GPa. The calculations identify a pressure-induced cubic → tetragonal transition near 10–12 GPa, associated with softening of the <span><math><mrow><mi>R</mi></mrow></math></span>-point antiferrodistortive tilt mode. The bulk modulus rises from ∼148 GPa in the cubic phase to ∼200 GPa in the tilted phases, while elastic constants satisfy the Born stability criteria and indicate ductility (B/G &gt; 1.75) at high pressure. Phonon dispersions confirm dynamical stability of the predicted high-pressure phases. Band-structure and density-of-states calculations show that BaZrO₃ remains a wide-gap insulator under compression, with the sX-LDA gap of ∼5.7 eV in excellent agreement with experiment and no metallization up to 150 GPa. Comparison with available X-ray diffraction and Raman/IR data shows close consistency: the predicted tilt-driven transition agrees with Raman spectra reporting new modes above ∼8–10 GPa. These results establish a unified pressure–structure–property relationship, clarify the quantum and anharmonic suppression of octahedral tilting at ambient pressure, and reconcile prior theoretical and experimental discrepancies. This study highlights BaZrO₃'s robustness and its potential for high-κ dielectric and radiation-hard electronic applications.</div></div>","PeriodicalId":46322,"journal":{"name":"Computational Condensed Matter","volume":"45 ","pages":"Article e01157"},"PeriodicalIF":3.9,"publicationDate":"2025-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145362290","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Eigenchannel visualization and transition-voltage spectroscopy in two-dimensional C-57 allotrope","authors":"Leonardo Carneiro Quaresma ,&nbsp;Denner Felipe Silva Ferreira ,&nbsp;Jonas Marinho Duarte ,&nbsp;Mayra Moura Moreira ,&nbsp;Carlos Alberto Brito da Silva Jr. ,&nbsp;Jordan Del Nero","doi":"10.1016/j.cocom.2025.e01169","DOIUrl":"10.1016/j.cocom.2025.e01169","url":null,"abstract":"<div><div>The transport properties of pristine and hydrogenated C-57 nanoribbons were investigated using DFT combined with NEGF (DFT + NEGF), focusing on bias-dependent behavior, eigenchannel evolution, transition-voltage spectroscopy (TVS), and device potentials. For the pristine nanoribbon, transmission-eigenchannel maps reveal two fully open, delocalized channels (transmission ≈ 2) at zero bias, which persist along the 5–7 ring backbone up to 0.50 V. This delocalization accounts for its metallic nature and nearly linear I–V response (T ≈ 0.99 at 0 V). In contrast, hydrogenation introduces edge-induced barriers that result in a femtosecond-scale tunneling delay (≈1.5 fs). At zero bias, eigenchannels remain localized at the contacts. Above ≈0.42 V, C–H trap states begin to mediate coupling, and by 0.50 V, band-to-band tunneling is restored, enabling conduction at T ≈ 10⁻¹–10⁻². TVS analysis yields a transition voltage (V_trans) of ∼0.45 V, corresponding to the onset of eigenchannel penetration into the central ribbon. Fowler–Nordheim analysis estimates barrier heights of ∼2.0 eV (pristine) and ∼2.7 eV (hydrogenated), indicating tunable field emission. These results suggest that pristine C-57 nanoribbons can serve as low-barrier interconnects, while hydrogenated segments function as sharp, bias-tunable switches — opening avenues for all-carbon interconnects, reconfigurable logic, and chemically sensitive nanoscale sensors.</div></div>","PeriodicalId":46322,"journal":{"name":"Computational Condensed Matter","volume":"45 ","pages":"Article e01169"},"PeriodicalIF":3.9,"publicationDate":"2025-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145466034","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Multidimensional analysis of K2NaBiF6: A lead-free halide for green optoelectronic technologies","authors":"Md. Ferdous Rahman ,&nbsp;Md. Rubayed Hasan Pramanik ,&nbsp;Md. Faruk Hossain ,&nbsp;Tanvir Al Galib ,&nbsp;Md. Atikur Rahman ,&nbsp;Aijaz Rasool Chaudhry ,&nbsp;Ahmad Irfan","doi":"10.1016/j.cocom.2025.e01160","DOIUrl":"10.1016/j.cocom.2025.e01160","url":null,"abstract":"<div><div>The urgent global demand for non-toxic, high-performance photovoltaic materials has intensified interest in lead-free halide double perovskites. In this work, we present a first-principles investigation of the structural, electronic, mechanical, and optical characteristics of K₂NaBiF₆ using density functional theory (DFT) within the CASTEP framework. Structural analysis confirms the stability of the cubic <em>Fm-3m</em> phase, supported by a Goldschmidt tolerance factor of 0.89 and a negative formation energy of −2.29 eV, indicating strong thermodynamic feasibility. Phonon dispersion calculations reveal no imaginary frequencies, ensuring dynamic stability of the lattice. The material exhibits a wide indirect band gap of 4.82 eV (5.04 eV with HSE06), classifying it as a wide-bandgap insulator suitable for optoelectronic and photocatalytic applications. Mechanical property evaluation satisfies Born stability criteria and shows moderate ductility (B/G = 1.78), partial ionic bonding (Poisson's ratio = 0.26), and anisotropic elasticity. Optical analysis demonstrates strong ultraviolet absorption, distinct dielectric and conductivity peaks, and significant plasmonic activity in the 19–26 eV range, highlighting robust light–matter interaction. Collectively, these findings establish K₂NaBiF₆ as a structurally stable, optically active, and mechanically viable eco-friendly candidate for next-generation energy, photonic, and photocatalytic technologies.</div></div>","PeriodicalId":46322,"journal":{"name":"Computational Condensed Matter","volume":"45 ","pages":"Article e01160"},"PeriodicalIF":3.9,"publicationDate":"2025-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145416828","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Automated prediction of thermodynamic properties via Bayesian free-energy reconstruction from molecular dynamics","authors":"Ekaterina Spirande ,&nbsp;Timofei Miryashkin ,&nbsp;Andrei Kolmakov ,&nbsp;Alexander Shapeev","doi":"10.1016/j.cocom.2025.e01163","DOIUrl":"10.1016/j.cocom.2025.e01163","url":null,"abstract":"<div><div>Accurate free-energy calculations are essential for predicting thermodynamic properties and phase stability, but existing methods are limited: phonon-based approaches neglect anharmonicity and liquids, while molecular dynamics (MD) is computationally demanding, neglects low-temperature quantum effects, and often requires manual planning and post-processing of simulations. We present a unified workflow that reconstructs the Helmholtz free-energy surface from MD data using Gaussian Process Regression (GPR), augmented with zero-point energy corrections from harmonic/quasi-harmonic theory. The framework propagates statistical uncertainties, mitigates finite-size effects, and employs active learning to optimize sampling in the volume–temperature space. It applies seamlessly to both crystalline and liquid phases. We demonstrate the methodology by computing heat capacities, thermal expansion, isothermal and adiabatic bulk moduli, and melting properties for nine elemental FCC and BCC metals using 20 classical and machine-learned interatomic potentials, with all predictions accompanied by quantified confidence intervals. Automated, general, and uncertainty-aware, the workflow advances high-throughput thermodynamics and provides a systematic benchmark for interatomic potentials.</div></div>","PeriodicalId":46322,"journal":{"name":"Computational Condensed Matter","volume":"45 ","pages":"Article e01163"},"PeriodicalIF":3.9,"publicationDate":"2025-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145416829","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Trivalent cation effects on structural, electronic, optical, and thermoelectric properties of Rb2KB’I6 [B’=Al, Ga, In] double perovskites: A DFT study for optoelectronic applications","authors":"Hajar Bouzine,&nbsp;Hamid Ez-Zahraouy","doi":"10.1016/j.cocom.2025.e01174","DOIUrl":"10.1016/j.cocom.2025.e01174","url":null,"abstract":"<div><div>Double perovskites have emerged as promising candidates for advanced optoelectronic applications due to their tunable physical properties, strong light absorption, and environmental friendliness. In this study, we systematically investigate the effect of trivalent cation substitution (B’ = Al, Ga, In) on the structural, electronic, optical, and thermoelectric properties of Rb₂KB’I₆ double perovskites using density functional theory (DFT). All compounds exhibit structural stability, confirmed by their tolerance factors, negative formation energies, and elastic constants. The results demonstrate direct semiconducting behavior with band gaps estimated at 2.81 eV for Rb₂KAlI₆, 1.83 eV for Rb₂KGaI₆, and 2.16 eV for Rb₂KInI₆. Optical analysis reveals a remarkable absorption coefficient of over 10⁵ cm⁻¹ in the ultraviolet and near-visible regions, combined with low reflectivity (&lt;0.1), highlighting their suitability for optoelectronic devices. The thermoelectric characteristics indicate a positive Seebeck coefficient, confirming their p-type nature and a large figure of merit exceeding 0.7 at room temperature. Overall, these results suggest that the studied double perovskites exhibit favorable electronic, optical, and thermoelectric properties, making them promising candidates for future optoelectronic and thermoelectric applications, with their multifunctional performance tunable by varying the trivalent cation.</div></div>","PeriodicalId":46322,"journal":{"name":"Computational Condensed Matter","volume":"45 ","pages":"Article e01174"},"PeriodicalIF":3.9,"publicationDate":"2025-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145568288","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}