Journals
2026 EN
Prakash Ellapu Bhanu · Harini Bhukya · Ray Ashok
+1 more
Abstract This work investigates the temperature‐dependent performance of Germanium‐source Double‐Gate Tunnel Field Effect Transistors (Ge‐source DG‐TFETs) through calibrated TCAD simulations across a temperature range of 100–400 K. The study explores how temperature variations affect key DC, analog, and RF parameters. As temperature increases, bandgap narrowing enhances band‐to‐band tunneling, resulting in an increase in ON‐state current from 2.04 mAμ m − 1$\umu {\rm m}^{-1}$ (at 100 K) to 2.68 mAμ m − 1$\umu^{-1}$ (at 400 K), while the threshold voltage decreases from 0.40 to 0.23 V. Transconductance ( g m $g_m$ ) shows a modest decline from 8.94 mS/µm to 8.56 mSμ m − 1$\umu^{-1}$ due to phonon scattering at higher temperatures. Simultaneously, leakage current rises significantly from5.74 × 10 − 13$5.74 10^{-13}$ Aμ m $\umu$ to3.58 × 10 − 11$3.58 10^{-11}$ Aμ m − 1$\umu^{-1}$ , degrading the current ratio (I o n / I o f f$I_{{on}}/I_{{off from3.55 × 10 9 $3.55 10^9$ to7.0 × 10 7 $7.0 10^7$ . The cutoff frequency ( f T $f_T$ ) drops from 4.41 THz to 2.89 THz, and the intrinsic gain ( A v $A_v$ ) reduces with temperature, impacting analog and RF efficiency. Linearity metrics such as third‐order transconductance ( g m 3 $g_{m3}$ ) and third‐order intermodulation distortion ( IMD 3 ${\rm IMD}_3$ ) also exhibit degradation. These findings underscore the critical influence of temperature on the design and optimization of Ge‐source DG‐TFETs for energy‐efficient, thermally robust analog and RF applications.
Journals
2026 EN
Gu Kai · Yang Yiqun · Wo Zenglei
+3 more
Abstract Prior research on exciting the surface plasmon polariton (SPP) vortices has largely employed circular polarized light, but linearly polarized light has been adopted in more recent plasmonic vortex lens (PVL) designs to achieve simpler excitation conditions. However, existing techniques lack control over the modulation range and synchronization of vortex field amplitudes at different on‐chip positions. In this work, some linear‐polarization‐sensitive PVLs using meta‐atoms composed of two high‐aspect‐ratio rectangular slits are designed. The theoretical analysis and numerical simulations prove that dynamically adjusting the polarization direction of incident light enables real‐time amplitude modulation of SPP vortices, while tuning the slit rotation angles controls both the synchronization and range of amplitude variations. This approach facilitates dynamic applications of SPP vortices, such as nanoscale particle manipulation and real‐time biochemical analysis.
Journals
2026 EN
Bera Sabita · Sen Mausumi · Nath Sujit
Abstract Nonlinear variable‐order fractional integro‐differential equations with delay have become powerful tools for describing complex memory‐dependent phenomena. This study introduces an iterative numerical method for solving nonlinear variable‐order fractional Volterra‐type integro differential equations with delay, which frequently arise in the modeling of memory‐dependent phenomena in diverse engineering and scientific applications. The method utilizes the Caputo‐type variable‐order fractional derivative to capture the system's non‐local characteristics effectively. A uniform mesh is used for spatial discretization, and L1 scheme is applied to approximate the fractional derivative, leading to a nonlinear difference equation that accurately represents the underlying dynamics of the original problem. To solve this equation, the Daftardar‐Gejji and Jafari (DGJ) iterative technique is utilized. The convergence analysis and corresponding error bounds of the proposed scheme are established, demonstrating that the approximate solution converges to the exact solution with an order of( ( 2 − α ( x 2 - \alpha (x . Also, comparative analysis with the Iterative Laplace Transform method results highlights the improved accuracy of the proposed approach. Additionally, the paper establishes sufficient conditions ensuring the existence and uniqueness of the solution. Numerical results are provided to validate the proposed method's accuracy, efficiency, and robustness.
Journals
2026 EN
Liang Chengyang · Gao Dexin · Cheng Yuanming
+2 more
ABSTRACT Regarding the threat posed by lithium‐ion battery charging thermal runaway to electric vehicle (EV) safety applications, this paper proposes a Q‐learning optimized multimodal deep learning framework, and based on this framework, further constructs a lithium‐ion battery charging temperature prediction model for EVs. By integrating the local feature extraction capability of Convolutional Neural Networks (CNN), the temporal memory characteristics of Long Short‐Term Memory networks (LSTM), and the temporal modeling advantages of Temporal Convolutional Networks (TCN), the framework employs a Q‐learning algorithm to optimize network weights, ultimately resulting in the formation of the EV lithium‐ion battery charging temperature prediction model (QCLT) with high‐precision prediction capabilities. Experiments selected highly correlated parameters in EV charging through Pearson correlation coefficient as inputs, and validated the model using charging data from both NCM (Nickel‐Cobalt‐Manganese) and LFP (Lithium Iron Phosphate) lithium batteries. Comparative results showed that the QCLT model demonstrated superior prediction accuracy over other benchmark models. Furthermore, dynamic warning thresholds were established using the sliding window method, with additional validation through thermal runaway data under varying ambient temperatures. Constructed based on the aforementioned multimodal deep learning framework, the QCLT model can effectively predict abnormal temperature residual variations, issuing timely warning signals before thermal runaway occurs. This provides a critical time window for implementing safety protection measures, thereby reducing accident risks.
Journals
2026 EN
Sarker Chandon · Pakhi Sushmita Sadhu · Liton M. N. H.
+5 more
Abstract This study compiles the structural, mechanical, bonding, and dynamical characteristics of the recently synthesized rare earth metallic compounds MC 2 B 2 (M = Lu, La) by means of density functional theory (DFT). Both LuC 2 B 2 and LaC 2 B 2 crystallize in tetragonal symmetry. The negative cohesive energy of LuC 2 B 2 (−7.824 eV atom −1 ) and LaC 2 B 2 (−7.692 eV atom −1 ) ensured the stability of both compounds. The compounds exhibit mechanical stability with significant elastic anisotropy, ductility, and high hardness (22.84 and 21.84 GPa for LuC 2 B 2 and LaC 2 B 2 , respectively). The electronic band structures and density of states (DOS) indicate metallic behavior, predominantly influenced by Lu/La‐5d, B‐2p, and C‐2p states, showing mixed bonding characteristics with ionic and covalent contributions. Both compounds are hard and brittle in nature. Possessing a high melting point (2183.06 K for LuC 2 B 2 and 1873.82 K for LaC 2 B 2 ), the compounds are suitable for applications in thermally harsh conditions. Through Drude‐like low‐energy behavior, optical properties also confirmed metallic nature and showed significant reflection and absorption with a specific directional dependence, especially LuC 2 B 2 shows exceptional reflectivity (≈80%) in the infrared (IR) to lower upper ultraviolet (UV) regions. The findings collectively demonstrate that LuC 2 B 2 and LaC 2 B 2 are viable options for cutting‐edge technological applications that demand superior optoelectronic, thermophysical, and mechanical performance.
Journals
2026 EN
Karalash Sergei A. · Shmurygina Anna V. · Krotkov Nikita A.
+3 more
Abstract Macrocyclic compounds enable diverse applications utilizing their cavity for guest encapsulation. Current approaches to cavity volume calculation in tunnel‐like cavities suffer from weak predictability due to mouth opening ambiguity. Here tessellation and divide‐and‐conquer approaches to the cavity volume prediction in calixarene macrocycles featuring convex‐hull based determination of boundaries of tunnel‐like cavities and a user‐friendly CaviDAC tool for academic researchers and specialists in chemo(bio)informatics are presented. The cavity volumes of the basket‐, barrel‐, and sandglass‐shaped calixarenes calculated by triangular tessellation and quickhull algorithms show the divergence of less than 3.0%. CaviDAC software outperforms common cavity volume calculation software in terms of accuracy in the cavitands with ill‐defined cavity opening, which is promising for the computational screening of novel materials with molecular‐level porosity.
Journals
2026 EN
Yadav Pramod Kumar · Singh Aditya
Abstract In the present time, cardiovascular disorders represent a significant global health concern because of the intricate arterial constrictions and impaired hemodynamics. Traditional drug administration methods frequently lack site‐specific targeting capability, leading to reduced therapeutic efficiency and may affect healthy tissues. Now‐a‐days, nanoparticle‐assisted drug delivery technologies are recognized as an effective strategy for treating cardiovascular diseases. Based on these applications, this novel study that incorporates the gold nanoparticles in the bloodstream, investigates the hemodynamic characteristics through a diseased time‐variant arterial structure with different geometrical configurations namely converging, non‐tapered, and diverging. The present model incorporates the several physical aspects such as thermal radiation, heat source, porous medium, magnetic field, and body acceleration in the present scenario. The governing flow equations of nanofluid transport model are simplified with the nondimensional variables and mild‐stenosis approximations. The forward time‐centered space (FTCS) finite difference method is utilized to get the approximate solution of the present model. The model explores the influence of several key parameters such as Darcy paramter, radiation parameter, nanoparticle volume fraction, heat parameter, nanoparticle shape parameter, tapering parameter, and magnetic number on the various hemodynamic quantities such as wall shear stress, impedance, flow rate, Nusselt number, temperature, and velocity. The results reveal that the gold nanoparticles help to regulate the blood velocity by 13.85% and temperature by 5.64% in the stenosed arterial region. The wall shear stress reveals descending trend across the arterial geometries and achieved its highest value in converging artery, moderate value in non‐tapered artery, and lowest value in diverging artery. The findings of the present model may offer the therapeutic possibilities of arterial diseases such as targeted drug delivery, diagnosis of tumors and brain aneurysms, and magnetic hyperthermia treatment.
Journals
2026 EN
Yang Zhaodi · Jia Yujie · Yan Yaohong
+2 more
ABSTRACT The study on the transport properties of borophenes is scarce, which is important for their potential applications in electronic and sensing devices. The study suggests the holes tend to suppress the conductance of borophenes in zigzag direction, though they all behave much better than graphene. Surprisingly, inserting a row ofβ 12 $\beta _{12}$ borophene intoχ 3 $\chi _{3}$ borophene will abnormally enhance the conductance up to three times under certain bias. The charge transfer betweenβ 12 $\beta _{12}$ andχ 3 $\chi _{3}$ subunits leads to the shift of bands, as a result, the Fermi level is dominated by the bands fromχ 3 $\chi _{3}$ subunit with more anisotropic Fermi surface and higher Fermi velocities. Furthermore, Fermi surface analysis suggests the bands across the interface is scarce or absent. Combined with high electrostatic potential onβ 12 $\beta _{12}$ subunit and small fluctuation of electron transfer inχ 3 $\chi _{3}$ subunits, quasi‐1D transport appears, accounting for the abnormal enhancement in conductance. Given many nearly degenerate allotropes for borophene, the abnormal enhancement is likely observable in other family of lateral heterostructures as well. This study not only elucidates an anomalous conductance enhancement in specific borophene heterostructures, but also proposes a way to enhance the conductance in lateral heterostructures via band tailoring.
Journals
2026 EN
Filanovich Anton · Lukoyanov Alexey · Povzner Alexander
Abstract Double half‐Heusler alloys are a new class of materials with low lattice thermal conductivity, promising for thermoelectric applications. Theoretical predictions of thermal conductivity based on phonon spectra are limited as they require significant computational resources. However, recently, universal machine learning interatomic potentials (UMLIPs) have emerged, which allow fast and accurate prediction of interatomic forces and, consequently, the phonon spectrum. In this study, phonon spectra, Grüneisen parameters, and lattice thermal conductivities of double half‐Heusler alloys Hf 2 FeNiSb 2 and Ti 2 FeNiSb 2 are investigated using established ab initio techniques and the recently developed UMLIP MACE. The results from various methods for calculating lattice conductivity, including solving the linearized Boltzmann transport equation, the Debye–Callaway method, and the Slack formula, are compared. It is demonstrated that a pretrained UMLIP based on the MACE architecture can accurately predict phonon spectra and lattice thermal conductivity of double half‐Heusler alloys without requiring significant computational resources. It is shown that acoustic phonons in Hf 2 FeNiSb 2 and Ti 2 FeNiSb 2 exhibit strong anharmonicity, which causes low lattice thermal conductivities (1.4 W (m·K) −1 for Ti 2 FeNiSb 2 and 1.9 W (m·K) −1 for Hf 2 FeNiSb 2 at 900 K).
Journals
2026 EN
Filippatos PetrosPanagis · Kuganathan Navaratnarajah · Chroneos Alexander
Abstract Quantum defects in silicon (Si), particularly the T‐center, have emerged as a promising spin‐photon interface and single‐photon emitter for quantum communication applications, due to their telecom‐compatible emission and favorable spin coherent properties. Recent advances have enabled the detailed characterization of these centers in Si, and the discovery of quantum defects in Si is especially important due to their high processability and compatibility with current technologies. Here, a systematic study of the T‐center and, more importantly, an unexplored related defect, the M‐center, is presented using density functional theory (DFT) with the meta‐GGA functional r 2 SCAN. For the already studied T‐center, the findings against the established hybrid functional HSE06 results are extensively discussed. The calculations on the T‐center demonstrate excellent agreement with the HSE06, reinforcing the efficiency of meta‐GGA approaches for accurate defect characterization in Si. Moreover, the M‐center is introduced and characterized, revealing promising quantum optical properties. Both centers are found to arise from a bound exciton configuration, and for this process the zero‐phonon line (ZPL) and the zero‐field splitting (ZFS) are calculated.