Despite the numerous reports on the time-honored superconductor NiBi3, theoretical investigations remain limited, particularly regarding the impact of spin-orbit coupling (SOC). Based on first-principles calculations,...
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Despite the numerous reports on the time-honored superconductor NiBi3, theoretical investigations remain limited, particularly regarding the impact of spin-orbit coupling (SOC). Based on first-principles calculations, the electronic topology of NiBi3 is mainly studied herein. Nodal loops which intersect to form a nodal chain structure are enclosed by two valence bands, and they are fully gapped by SOC. The full gap contains topological surface states defined by a Z2 topological invariant, while for the top valence band and bottom conduction band, a three-dimensional massless Dirac point at Γ is produced by the two bands with SOC. In addition, nodal surfaces which prevalently appear in the band structure without SOC are present on the entire Brillouin zone surface, and SOC only partially gaps them, thus leading to nodal lines unaffected by SOC. Type-I and type-II fermions, which are distinguished by the tilt of cones, are shown to coexist in the bulk bands. Furthermore, two Rashba-split bands are found on the (100) surface, whose inner and outer Fermi circles share the same spin polarization direction. Finally, our analysis reveals that the superconductivity of NiBi3 primarily originates from the p orbitals of Bi and d orbitals of Ni coupling with the vibration modes of Bi. The rich topological features identified in this study suggest that NiBi3 holds significant potential for realizations of topological superconductivity and other exotic phenomena.
An intelligent Levenberg-Marquardt Technique (LMT) with artificial neural network (ANN) backpropagation (BP) has been used to analyze the thermal heat and mass transfer of unsteady magnetohydrodynamics (MHD) thin film...
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An intelligent Levenberg-Marquardt Technique (LMT) with artificial neural network (ANN) backpropagation (BP) has been used to analyze the thermal heat and mass transfer of unsteady magnetohydrodynamics (MHD) thin film Maxwell fluid flow in a porous inclined sheet with an emphasis on the influence of electro-osmosis. The activation energy, chemical reaction, mixed convection, melting heat, joule heating, nonlinear thermal radiation, variable thermal conductivity and thermal source/sink effect are taken into account for transport expressions. Appropriate similarity transformations were used to translate partial differential equations (PDEs) into ordinary differential equations (ODEs). After that, the built-in MATLAB BVP4C method was used for a data set assessed using the LMT-ANN strategy to solve these ODEs. The physical significance of the designed parameters is thoroughly discussed in both tabular and graphical form. The observed R -squared value is 1, and the mean square error up to 10 − 15 demonstrates the LMT-ANN's precise and accurate computing capability. The model’s validity is also confirmed by the strong agreement between the obtained predicted findings and numerical results, which shows a high degree of accuracy within the range of 10 − 8 to 10 − 11 . It was revealed that radiative heat considerably increases surface heat energy through accumulation, improving heat transfer qualities, whereas fluid temperature is raised by Joule dissipation, variable thermal conductivity, and heat source. Electro-osmosis and magnetic fields reduce fluid velocity by generating opposing forces that resist the flow. This problem works best in microscale fluid transport systems and drilling operations, where magnetic and electro-osmotic control are crucial. These systems include micro-electromechanical systems, lab-on-a-chip devices, porous geological formations, and thin film coating technologies.
We present initial results on Hessian-free force-gradient integrators for lattice field theories. Integrators of this framework promise to provide substantial performance enhancements, particularly for larger lattice ...
Fractional-order stochastic gradient descent (FOSGD) leverages a fractional exponent to capture long-memory effects in optimization, yet its practical impact is often constrained by the difficulty of tuning and stabil...
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We present an efficient algorithm for calculating the minimum energy path(MEP)and energy barriers between local minima on a multidimensional potential energy surface(PES).Such paths play a central role in the understa...
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We present an efficient algorithm for calculating the minimum energy path(MEP)and energy barriers between local minima on a multidimensional potential energy surface(PES).Such paths play a central role in the understanding of transition pathways between metastable *** method relies on the original formulation of the string method[***.B,66,052301(2002)],*** evolve a smooth curve along a direction normal to the *** algorithm works by performing minimization steps on hyperplanes normal to the *** the problem of finding MEP on the PES is remodeled as a set of constrained minimization *** provides the flexibility of using minimization algorithms faster than the steepest descent method used in the simplified string method[***.,126(16),164103(2007)].At the same time,it provides a more direct analog of the finite temperature string *** applicability of the algorithm is demonstrated using various examples.
Enhancing carrier mobility plays a crucial role in significantly improving thermoelectric performance. However, due to the lack of a systematic strategy, achieving high mobility remains an elusive goal for most compou...
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The oscillatory Couette flow of a magnetohydrodynamic （MHD） Sisko fluid between two infinite non-conducting parallel plates is explored in a rotating frame. The lower plate is fixed, and the upper plate is oscillati...
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The oscillatory Couette flow of a magnetohydrodynamic （MHD） Sisko fluid between two infinite non-conducting parallel plates is explored in a rotating frame. The lower plate is fixed, and the upper plate is oscillating in its own plane. Using MATLAB, a numerical solution to the resulting nonlinear system is presented. The influence of the physical parameters on the velocity components is analyzed. It is found that the effect of rotation on the primary velocity is more significant than that on the secondary velocity. Further, the oscillatory character in the flow is also induced by rotation. The considered flow situation behaves inertialess when the Reynolds number is small.
A class of time fractional partial differential equations is considered, which in- cludes a time fractional diffusion equation, a time fractional reaction-diffusion equation, a time fractional advection-diffusion equa...
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A class of time fractional partial differential equations is considered, which in- cludes a time fractional diffusion equation, a time fractional reaction-diffusion equation, a time fractional advection-diffusion equation, and their corresponding integer-order partial differential equations. The fundamental solutions to the Cauchy problem in a whole-space domain and the signaling problem in a half-space domain are obtained by using Fourier- Laplace transforms and their inverse transforms. The appropriate structures of the Green functions are provided. On the other hand, the solutions in the form of a series to the initial and boundary value problems in a bounded-space domain are derived by the sine- Laplace or cosine-Laplace transforms. Two examples are presented to show applications of the present technique.
The operational mechanics of a novel drug release implant capsule are formulated in terms of a one-dimensional Stefan moving boundary diffusion problem. computational solutions for this are obtained using Meyer's ...
The operational mechanics of a novel drug release implant capsule are formulated in terms of a one-dimensional Stefan moving boundary diffusion problem. computational solutions for this are obtained using Meyer's numerical technique, and a complementary open-form analytical solution applicable to constant drug impregnations is obtained by a perturbation method. A similarity solution pertaining to a particular boundary condition is also given. The question of attaining a predetermined drug release-rate/time characteristic by the introduction of a spatially variable drug impregnation is also considered.
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