计算物理
Metallic nanostructures confine electromagnetic fields at subwavelength scales, making them attractive as plasmonic nanoantennas. At these scales, the response of metals becomes nonlocal, and the hydrodynamic model is widely used to capture…
Bond-dependent magnetic interactions, exemplified by the Kitaev model, are known to arise from the interplay between spin-orbit coupling(SOC) and specific coordination geometries, yet their existence has so far been predominantly associated…
Inverse problems are ubiquitous in physics, chemistry, and engineering, arising when reconstructing hidden quantities from indirect measurements. A key example is the analytic continuation of imaginary-time correlation functions (iTCFs) to…
The stationary drift-diffusion model is widely used to model charge transport in semiconductor devices. Classical methods, such as the finite volume Scharfetter--Gummel (FVSG) method, perform well on high-quality Delaunay meshes but…
In this paper, 65 nm n-type Metal-Oxide-Semiconductor Field-Effect-Transistors (nMOSFETs) are taped out and measured at 292 K to 4.5 K. Technology Computer-Aided-Design (TCAD) model parameters are then calibrated to fit the simulation…
Degradation in lead halide perovskite solar cells is analysed by inverse modelling of published measurements of characteristics of a single solar cell at ages 0, 90, 280, 480 minutes. We employ machine learning to deduce distributions of…
Carleman lifting converts nonlinear polynomial dynamics into finite linear systems, but the resulting truncations are generally nonunitary and need not correspond to physical quantum evolution. We prove that a finite linear endpoint admits…
Electromagnetic inverse scattering is a nonlinear and ill-posed problem, where accurate reconstruction is challenging due to measurement limitations, noise, and high computational costs, especially for 3-D imaging. Although physics-driven…
Simulating the coupled, nonequilibrium dynamics of electrons and nuclei is a central challenge in chemistry, physics, and materials science, governing phenomena from photocatalysis to quantum information. The primary bottleneck has been the…
A fast-converging and asymptotic-preserving adjoint shape optimization method is proposed for drag reduction of multiscale gas flows in vibrating micro-electro-mechanical systems. The convergence of the Boltzmann kinetic equation is…
Embedding theorems can be used to provide theoretical guarantees about the relation between low-dimensional observations of a system and its full-dimensional state and dynamics. Such theorems do not, however, provide guidance on observable…
Accurate prediction of tritium behaviour in molten salt breeding blankets is essential for the design and safe operation of ARC-class fusion reactors. This work presents a fully open-source, component-scale multiphysics framework for…
We present a statistical-mechanics framework for computing equilibrium binding constants $K$ in the dilute limit. From first principles, we derive a general expression relating $K$ to the relative populations of the bound and unbound…
A three-dimensional (3-D) hybrid numerical method (HNM) is presented for electromagnetic scattering in structures with multiple inhomogeneous layered media coupled to an arbitrary 3-D non-layered scattering region. It integrates the 3-D…
Finite-temperature simulations of electric-field-driven dynamics need a unified description of interatomic interactions, local electronic states, and configuration-dependent electric responses. First-principles simulations remain…
We introduce a new SVD-based tensor decomposition method for tensor networks with arbitrary graph topologies, extending classical hierarchical SVD-based techniques to networks with cycles and general connectivity. We also introduce addition…
In the present study, we propose a consistent and bound-preserving finite-volume WENO scheme that satisfies the requirements of consistency, conservation, equilibrium, and bound preservation for compressible multiphase flows with the…
Deterministic multiscale gas flow simulations have long suffered from the curse of dimensionality: the number of discrete velocities increases dramatically with the velocity space dimension and the Mach number, exhausting available memory…
In this work, a ensemble-of-subproblems strategy with stochastic discrete velocities is extended to deterministic methods for mitigating ray effects in rarefied flow simulations. The strategy involves performing multiple independent…
We develop a mechanically faithful reduced model for a two-dimensional topological phononic crystal composed of rigid square masses connected by slender elastic ligaments. Exploiting Euler Bernoulli beam theory, we derive a Hermitian 12…