arXiv subjects

Zhijie Li

Publications and source records attributed to Zhijie Li.

At least 37 records · Page 2Linked to original sources

arXiv2024

A transformer-based neural operator for large-eddy simulation of turbulence

Predicting the large-scale dynamics of three-dimensional (3D) turbulence is challenging for machine learning approaches. This paper introduces a transformer-based neural operator (TNO) to achieve precise and efficient predictions in the large-eddy simulation (LES) of 3D turbulence. The performance of the proposed TNO model is systematically tested and compared with LES using classical sub-grid scale (SGS) models, including the dynamic Smagorinsky model (DSM) and the dynamic mixed model (DMM), as well as the original Fourier neural operator (FNO) model, in homogeneous isotropic turbulence (HIT) and free-shear turbulent mixing layer. The numerical simulations comprehensively evaluate the performance of these models on a variety of flow statistics, including the velocity spectrum, the probability density functions (PDFs) of vorticity, the PDFs of velocity increments, the evolution of turbulent kinetic energy, and the iso-surface of the Q-criterion. The results indicate that the accuracy of the TNO model is comparable to the LES with DSM model, and outperforms the FNO model and LES using DMM in HIT. In the free-shear turbulence, the TNO model exhibits superior accuracy compared to other models. Moreover, the TNO model has fewer parameters than the FNO model and enables long-term stable predictions, which the FNO model cannot achieve. The well-trained TNO model is significantly faster than traditional LES with DSM and DMM models, and can be generalized to higher Taylor-Reynolds number cases, indicating its strong potential for 3D nonlinear engineering applications.

physics.flu-dyn↗

arXiv2024

Correlated magnetism of moiré exciton-polaritons on a triangular electron-spin lattice

We demonstrate evidence of correlated magnetism for exciton-polaritons in a MoSe$_{2}$/WS$_{2}$ moiré heterostructure with near-parallel alignment subject to electron doping. In our experiments, interactions between electrons and moiré excitons are controlled electrostatically by field-effect doping, and the polaritonic regime of strong light-matter coupling is established in an open cryogenic microcavity. Remarkably, at filling fractions around one electron per moiré cell, we observe drastic and nonlinear enhancement of the effective polariton Landé factor as a hallmark of correlated magnetism, which is cavity-controlled via resonance tuning of light and matter polariton constituents. Our work establishes moiré van der Waals heterostructures as an outstanding platform for studies of correlated phenomena in the presence of strong light-matter coupling and many-body phases of lattice-ordered excitons, charges and spins.

cond-mat.mes-hall↗

arXiv2024

Potential and Limitations of LLMs in Capturing Structured Semantics: A Case Study on SRL

Large Language Models (LLMs) play a crucial role in capturing structured semantics to enhance language understanding, improve interpretability, and reduce bias. Nevertheless, an ongoing controversy exists over the extent to which LLMs can grasp structured semantics. To assess this, we propose using Semantic Role Labeling (SRL) as a fundamental task to explore LLMs' ability to extract structured semantics. In our assessment, we employ the prompting approach, which leads to the creation of our few-shot SRL parser, called PromptSRL. PromptSRL enables LLMs to map natural languages to explicit semantic structures, which provides an interpretable window into the properties of LLMs. We find interesting potential: LLMs can indeed capture semantic structures, and scaling-up doesn't always mirror potential. Additionally, limitations of LLMs are observed in C-arguments, etc. Lastly, we are surprised to discover that significant overlap in the errors is made by both LLMs and untrained humans, accounting for almost 30% of all errors.

cs.CL↗

arXiv2024

Metasurface of strongly coupled excitons and nanoplasmonic arrays

Metasurfaces allow to manipulate light at the nanoscale. Integrating metasurfaces with transition metal dichalcogenide monolayers provides additional functionality to ultrathin optics, including tunable optical properties with enhanced light-matter interactions. In this work, we demonstrate the realization of a polaritonic metasurface utilizing the sizable light-matter coupling of excitons in monolayer WSe2 and the collective lattice resonances of nanoplasmonic gold arrays. To this end, we developed a novel fabrication method to integrate gold nanodisk arrays in hexagonal boron nitride and thus simultaneously ensure spectrally narrow exciton transitions and their immediate proximity to the near-field of array surface lattice resonances. In the regime of strong light-matter coupling, the resulting van der Waals metasurface exhibits all key characteristics of lattice polaritons, with a directional and linearly-polarized far-field emission profile dictated by the underlying nanoplasmonic lattice. Our work can be straightforwardly adapted to other lattice geometries, establishing structured van der Waals metasurfaces as means to engineer polaritonic lattices.

physics.optics↗

arXiv2024

Hybrid moiré excitons and trions in twisted MoTe$_2$-MoSe$_2$ heterobilayers

We report experimental and theoretical studies of MoTe$_2$-MoSe$_2$ heterobilayers with rigid moiré superlattices controlled by the twist angle. Using an effective continuum model that combines resonant interlayer electron tunneling with stacking-dependent moiré potentials, we identify the nature of moiré excitons and the dependence of their energies, oscillator strengths and Landé $g$-factors on the twist angle. Within the same framework, we interpret distinct signatures of bound complexes among electrons and moiré excitons in nearly collinear heterostacks. Our work provides fundamental understanding of hybrid moiré excitons and trions in MoTe$_2$-MoSe$_2$ heterobilayers, and establishes the material system as a prime candidate for optical studies of correlated phenomena in moiré lattices.

cond-mat.mes-hall↗

arXiv2024

Implementation of the bilayer Hubbard model in a moiré heterostructure

Moiré materials provide a unique platform for studies of correlated many-body physics of the Fermi-Hubbard model on triangular spin-charge lattices. Bilayer Hubbard models are of particular significance with regard to the physics of Mott insulating states and their relation to unconventional superconductivity, yet their experimental implementation in moiré systems has so far remained elusive. Here, we demonstrate the realization of a staggered bilayer triangular lattice of electrons in an antiparallel MoSe$_{2}$/WS$_{2}$ heterostructure. The bilayer lattice emerges due to strong electron confinement in the moiré potential minima and the near-resonant alignment of conduction band edges in MoSe$_{2}$ and WS$_{2}$. As a result, charge filling proceeds layer-by-layer, with the first and second electron per moiré cell consecutively occupying first the MoSe$_{2}$ and then the WS$_{2}$ layer. We describe the observed charging sequence by an electrostatic model and provide experimental evidence of spin correlations on the vertically offset and laterally staggered bilayer lattice, yielding absolute exciton Landé factors as high as $600$ at lowest temperatures. The bilayer character of the implemented spin-charge lattice allows for electrostatic tunability of Ruderman-Kittel-Kasuya-Yosida magnetism, and establishes antiparallel MoSe$_{2}$/WS$_{2}$ heterostructures as a viable platform for studies of bilayer Hubbard model physics with exotic magnetic phases on frustrated lattices.

cond-mat.str-el↗

arXiv2024

Field-induced hybridization of moiré excitons in MoSe$_2$/WS$_2$ heterobilayers

We study experimentally and theoretically the hybridization among intralayer and interlayer moiré excitons in a MoSe$_2$/WS$_2$ heterostructure with antiparallel alignment. Using a dual-gate device and cryogenic white light reflectance and narrow-band laser modulation spectroscopy, we subject the moiré excitons in the MoSe$_2$/WS$_2$ heterostack to a perpendicular electric field, monitor the field-induced dispersion and hybridization of intralayer and interlayer moiré exciton states, and induce a cross-over from type I to type II band alignment. Moreover, we employ perpendicular magnetic fields to map out the dependence of the corresponding exciton Landé $g$-factors on the electric field. Finally, we develop an effective theoretical model combining resonant and non-resonant contributions to moiré potentials to explain the observed phenomenology, and highlight the relevance of interlayer coupling for structures with close energetic band alignment as in MoSe$_2$/WS$_2$.

cond-mat.mes-hall↗

arXiv2023

Phased Geometric Controls of V-Shaped Three-Level System for Zero-field Quantum Sensing

Here we propose and demonstrate a phased geometric control protocol for zero-field double quantum gates in a V-shaped three-level spin system. This method utilizes linearly polarized microwave pulses and exploits the geometric qubit properties to prevent state leakage. By employing specific phased geometric controls, we realize a low-power multi-pulse zero-field sensing technique using single nitrogen-vacancy centers in diamond. Our method offers a novel approach to implement precise double quantum gate operations with an adaptable driving power, making it a valuable tool for zero-field spin-based quantum technology.

quant-ph↗

arXiv2023

Imaging lattice reconstruction in homobilayers and heterobilayers of transition metal dichalcogenides

Moiré interference effects have profound impact on the optoelectronic properties of vertical van der Waals structures. Here we establish secondary electron imaging in a scanning electron microscope as a powerful technique for visualizing registry-specific domains in vertical bilayers of transition metal dichalcogenides with common moiré phenomena. With optimal parameters for contrast-maximizing imaging of high-symmetry registries, we identify distinct crystal realizations of WSe$_2$ homobilayers and MoSe$_2$-WSe$_2$ heterobilayers synthesized by chemical vapor deposition, and demonstrate ubiquitous lattice reconstruction in stacking-assembled bilayers with near parallel and antiparallel alignment. Our results have immediate implications for the optical properties of registry-specific excitons in layered stacks of transition metal dichalcogenides, and demonstrate the general potential of secondary electron imaging for van der Waals twistronics.

cond-mat.mes-hall↗

arXiv2023

Long-term predictions of turbulence by implicit U-Net enhanced Fourier neural operator

Long-term predictions of nonlinear dynamics of three-dimensional (3D) turbulence are very challenging for machine learning approaches. In this paper, we propose an implicit U-Net enhanced Fourier neural operator (IU-FNO) for stable and efficient predictions on the long-term large-scale dynamics of turbulence. The IU-FNO model employs implicit recurrent Fourier layers for deeper network extension and incorporates the U-net network for the accurate prediction on small-scale flow structures. The model is systematically tested in large-eddy simulations of three types of 3D turbulence, including forced homogeneous isotropic turbulence (HIT), temporally evolving turbulent mixing layer, and decaying homogeneous isotropic turbulence. The numerical simulations demonstrate that the IU-FNO model is more accurate than other FNO-based models including vanilla FNO, implicit FNO (IFNO) and U-Net enhanced FNO (U-FNO), and dynamic Smagorinsky model (DSM) in predicting a variety of statistics including the velocity spectrum, probability density functions (PDFs) of vorticity and velocity increments, and instantaneous spatial structures of flow field. Moreover, IU-FNO improves long-term stable predictions, which has not been achieved by the previous versions of FNO. Besides, the proposed model is much faster than traditional LES with DSM model, and can be well generalized to the situations of higher Taylor-Reynolds numbers and unseen flow regime of decaying turbulence.

physics.flu-dyn↗

arXiv2023

Lattice reconstruction in MoSe$_2$-WSe$_2$ heterobilayers synthesized by chemical vapor deposition

Vertical van der Waals heterostructures of semiconducting transition metal dichalcogenides realize moiré systems with rich correlated electron phases and moiré exciton phenomena. For material combinations with small lattice mismatch and twist angles as in MoSe$_2$-WSe$_2$, however, lattice reconstruction eliminates the canonical moiré pattern and instead gives rise to arrays of periodically reconstructed nanoscale domains and mesoscopically extended areas of one atomic registry. Here, we elucidate the role of atomic reconstruction in MoSe$_2$-WSe$_2$ heterostructures synthesized by chemical vapor deposition. With complementary imaging down to the atomic scale, simulations, and optical spectroscopy methods we identify the coexistence of moiré-type cores and extended moiré-free regions in heterostacks with parallel and antiparallel alignment. Our work highlights the potential of chemical vapor deposition for applications requiring laterally extended heterosystems of one atomic registry or exciton-confining heterostack arrays.

cond-mat.mes-hall↗

arXiv2023

Excitons in mesoscopically reconstructed moiré heterostructures

Moiré effects in twisted or lattice-incommensurate vertical assemblies of two-dimensional crystals give rise to a new class of quantum materials with rich transport and optical phenomena, including correlated electron physics in flat bands of bilayer graphene and moiré excitons in semiconductor heterostructures. These phenomena arise from modulations of interlayer hybridization on the nanoscale of spatially varying atomic registries of moiré supercells. Due to finite elasticity, however, lattices of marginally-twisted homobilayers and heterostructures can transform from moiré to periodically reconstructed patterns with triangular or hexagonal tiling. Here, we expand the notion of nanoscale lattice reconstruction to the mesoscopic scale of extended samples and demonstrate rich consequences in optical studies of excitons in MoSe$_2$-WSe$_2$ heterostructures with parallel and antiparallel alignment. Our results provide a unified perspective on diverse and partly controversial signatures of moiré excitons in semiconductor heterostructures by identifying domains with exciton properties of distinct effective dimensionality and establish mesoscopic reconstruction as a compelling feature of real samples and devices with inherent finite-size effects and disorder. Generalized to stacks of other two-dimensional materials, this notion of mesoscale domain formation with emergent topological defects and percolation networks will instructively expand our understanding of fundamental electronic, optical, and magnetic properties of van der Waals heterostructures.

cond-mat.mes-hall↗

arXiv2022

Linear attention coupled Fourier neural operator for simulation of three-dimensional turbulence

Modeling three-dimensional (3D) turbulence by neural networks is difficult because 3D turbulence is highly-nonlinear with high degrees of freedom and the corresponding simulation is memory-intensive. Recently, the attention mechanism has been shown as a promising approach to boost the performance of neural networks on turbulence simulation. However, the standard self-attention mechanism uses $O(n^2)$ time and space with respect to input dimension $n$, and such quadratic complexity has become the main bottleneck for attention to be applied on 3D turbulence simulation. In this work, we resolve this issue with the concept of linear attention network. The linear attention approximates the standard attention by adding two linear projections, reducing the overall self-attention complexity from $O(n^2)$ to $O(n)$ in both time and space. The linear attention coupled Fourier neural operator (LAFNO) is developed for the simulation of 3D turbulence. Numerical simulations show that the linear attention mechanism provides 40\% error reduction at the same level of computational cost, and LAFNO can accurately reconstruct a variety of statistics and instantaneous spatial structures of 3D turbulence. The linear attention method would be helpful for the improvement of neural network models of 3D nonlinear problems involving high-dimensional data in other scientific domains.

physics.flu-dyn↗

arXiv2022

Energy dispersive X-ray spectroscopy of atomically thin semiconductors

We report the implementation of energy dispersive X-ray spectroscopy for layered semiconductors in the form of atomically thin transition metal dichalcogenides. The technique is based on a scanning electron microscope equipped with a silicon drift detector for energy dispersive X-ray analysis. By optimizing operational parameters in numerical simulations and experiments, we achieve layer-resolving sensitivity for few-layer crystals down to the monolayer limit and demonstrate elemental composition profiling in vertical and lateral heterobilayers of transition metal dichalcogenides. The technique can be straight-forwardly applied to other layered two-dimensional materials and van der Waals heterostructures, thus expanding the experimental toolbox for quantitative characterization of layer number, atomic composition, or alloy gradients for atomically thin materials and devices.

cond-mat.mes-hall↗

arXiv2022

Coulomb-correlated states of moiré excitons and charges in a semiconductor moiré lattice

Semiconductor moiré heterostructures exhibit rich correlation-induced many-body phenomena with signatures of emergent magnetism, Mott insulating states or generalized Wigner crystals observed in optical spectroscopy by probing intralayer excitons. However, as the staggered band alignment in the underlying WSe$_2$/WS$_2$ heterobilayer system separates photoexcited electrons and holes to form lowest-energy interlayer excitons, direct access to interactions between correlated charge states and ground state moiré excitons remained elusive. Here, we use MoSe$_2$/WS$_2$ heterostacks with type-I band alignment to probe Coulomb interactions of elementary charges with the ground and excited states of moiré excitons. In addition to positive and negative moiré trions reminiscent of their canonical counterparts in monolayer MoSe$_2$, we reveal novel many-body states formed between moiré excitons and charges at fractional filling factors of the periodic moiré lattice. For both electrons and holes, these states exhibit doping-dependent Landé factors as a hallmark of correlation-induced magnetism, identifying the MoSe$_2$/WS$_2$ heterobilayer as a unique system for studies of correlated phenomena in ambipolar doping regimes.

cond-mat.mes-hall↗

arXiv2022

A sufficient and necessary condition of generalized polynomial Liénard systems with global centers

The aim of this paper is to give a sufficient and necessary condition of the generalized polynomial Liénard system with a global center (including linear typer and nilpotent type). Recently, Llibre and Valls [J. Differential Equations, 330 (2022), 66-80] gave a sufficient and necessary condition of the generalized polynomial Liénard system with a linear type global center. It is easy to see that our sufficient and necessary condition is more easy by comparison. In particular, we provide the explicit expressions of all the generalized polynomial Liénard differential systems of degree 5 having a global center at the origin and the explicit expression of a generalized polynomial Liénard differential system of indefinite degree having a global center at the origin.

math.DS↗

arXiv2021

Stacking-dependent exciton multiplicity in WSe$_2$ bilayers

Twisted layers of atomically thin two-dimensional materials realize a broad range of novel quantum materials with engineered optical and transport phenomena arising from spin and valley degrees of freedom and strong electron correlations in hybridized interlayer bands. Here, we report experimental and theoretical studies of WSe$_2$ homobilayers obtained in two stable configurations of 2H ($60^\circ$ twist) and 3R ($0^\circ$ twist) stackings by controlled chemical vapor synthesis of high-quality large-area crystals. Using optical absorption and photoluminescence spectroscopy at cryogenic temperatures, we uncover marked differences in the optical characteristics of 2H and 3R bilayer WSe$_2$ which we explain on the basis of beyond-DFT theoretical calculations. Our results highlight the role of layer stacking for the spectral multiplicity of momentum-direct intralayer exciton transitions in absorption, and relate the multiplicity of phonon sidebands in the photoluminescence to momentum-indirect excitons with different spin valley and layer character. Our comprehensive study generalizes to other layered homobilayer and heterobilayer semiconductor systems and highlights the role of crystal symmetry and stacking for interlayer hybrid states.

cond-mat.mtrl-sci↗

arXiv2021

Precise binding free energy calculations for multiple molecules using an optimal measurement network of pairwise differences

Alchemical binding free energy (BFE) calculations offer an efficient and thermodynamically rigorous approach to in silico binding affinity predictions. As a result of decades of methodological improvements and recent advances in computer technology, alchemical BFE calculations are now widely used in drug discovery research. They help guide the prioritization of candidate drug molecules by predicting their binding affinities for a biomolecular target of interest (and potentially selectivity against undesirable anti-targets). Statistical variance associated with such calculations, however, may undermine the reliability of their predictions, introducing uncertainty both in ranking candidate molecules and in benchmarking their predictive accuracy. Here, we present a computational method that substantially improves the statistical precision in BFE calculations for a set of ligands binding to a common receptor by dynamically allocating computational resources to different BFE calculations according to an optimality objective established in a previous work from our group and extended in this work. Our method, termed Network Binding Free Energy (NetBFE), performs adaptive binding free energy calculations in iterations, re-optimizing the allocations in each iteration based on the statistical variances estimated from previous iterations. Using examples of NetBFE calculations for protein-binding of congeneric ligand series, we demonstrate that NetBFE approaches the optimal allocation in a small number (<= 5) of iterations and that NetBFE reduces the statistical variance in the binding free energy estimates by approximately a factor of two when compared to a previously published and widely used allocation method at the same total computational cost.

cond-mat.stat-mech↗