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Wei Gan

Publications and source records attributed to Wei Gan.

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Knowledge-data fusion framework for frequency security assessment in low-inertia power systems

The integration of renewable energy via power electronics is transforming power grids into low-inertia systems, heightening the risks of frequency insecurity and widespread outages. Therefore, frequency security assessment (FSA) methods are urgently needed to ensure the reliable system operation. Recently, knowledge-data fusion models attempt to address the limitations of knowledge-driven (accuracy) and data-driven (generalization) FSA methods. However, current methods remain confined to shallow knowledge-data integration due to challenges in representing heterogeneous knowledge and establishing interactive mechanisms. Here, by classifing FSA domain knowledge into physics-guided and physics-constrained categories, we propose a guided learning-constrained network (GL-CN) framework, which deeply integrates domain knowledge across both network architecture and training process. In this framework, a data-driven model with dual input channels combining graph convolutional networks (GCN) and multilayer perceptrons (MLP) is proposed to extract both nodal and system-level power system features. Furthermore, guided learning enhances model generalization through data augmentation in pre-training utilizing physics-guided knowledge, while constrained network encodes physics-constrained knowledge into the network architecture and loss function to ensure physics-consistent and robust predictions. Validated on Yunnan Provincial Power Grid in China, our method reduces FSA time from days to seconds compared to traditional simulation, achieving 98% accuracy, robustness against 39.0% knowledge error, and generalization for 40%-60% renewable penetration. This provides a solid solution for mitigating blackouts caused by frequency insecurity and offers a generalizable paradigm for broader cross-domain problems.

eess.SY

Anomalous-Hall Neel textures in altermagnetic materials

Recently, the altermagnets, a new kind of collinear antiferromagnet with nearly zero net magnetization and momentum-dependent spin-splitting of bands, have sparked great interest. Despite simple magnetic structures, these altermagnets exhibit intriguing and intricate dependence of anomalous Hall effect (AHE) on the N\'eel vector, in contrast to the conventional perpendicular configuration of Hall current with magnetization in ferromagnets. However, the fundamental relationship between the AHE and the N\'eel vector remains largely elusive. Here, we reveal all the unconventional anomalous Hall textures in the N\'eel vector space, dubbed anomalous-Hall N\'eel textures (AHNTs) for altermagnets. Specifically, we identify 10 types across four categories of AHNTs for all altermagnets. Notably, we find that AHNTs resemble the known spin textures in momentum space, and further reveal their symmetry origin. Meanwhile, we examine our key discoveries in prototypical altermagnets. Our work offers a thorough understanding of AHE in altermagnets and a complete and pictorial classification of altermagnets based on the geometry of response functions.

cond-mat.mtrl-sci

Skin Effect of Nonlinear Optical Responses in Antiferromagnets

Nonlinear optics plays important roles in the research of fundamental physics and the applications of high-performance optoelectronic devices. The bulk nonlinear optical responses arise from the uniform light absorption in noncentrosymmetric crystals, and hence are usually considered to be the collective phenomena of all atoms. Here we show, in contrast to this common expectation, the nonlinear optical responses in antiferromagnets can be selectively accumulated near the surfaces, representing a skin effect. This is because the inversion symmetry, despite being broken globally by magnetism, is barely violated locally deeply inside these antiferromagnets. Using A-type layered antiferromagnets as the representatives, we predict that the spatial-dependent nonlinear optical responses, such as bulk photovoltaic effect (BPVE) and second harmonic generation (SHG), are notable in the top- and bottom-most layers and decay rapidly when moving away from the surfaces. Such a phenomenon is strongly associated with the antiferromagnetism and exists in a broad range of antiferromagnets composed of centrosymmetric sublattices, offering promising device applications using these antiferromagnets. Our work uncovers a previously overlooked property of nonlinear optical responses and opens new opportunities for high-performance antiferromagnetic optospintronics.

cond-mat.mtrl-sci

Classification of second harmonic generation effect in magnetically ordered materials

The relationship between magnetic order and the second harmonic generation (SHG) effect is a fundamental area of study in condensed matter physics with significant practical implications. In order to gain a clearer understanding of this intricate relation, this study presents a comprehensive classification scheme for the SHG effect in magnetically ordered materials. This framework offers a straightforward approach to connect magnetic order and SHG effect. The characteristics of the SHG tensors in all magnetic point groups are studied using the isomorphic group method, followed by a comprehensive SHG effect classification scheme that includes seven types based on the symmetries of the magnetic phases and their corresponding parent phases. In addition, a tensor dictionary containing the SHG and linear magneto-optic (LMO) effect is established. Furthermore, an extensive SHG database of magnetically ordered materials is also built up. This classification strategy exposes an anomalous SHG effect with even characteristic under time-reversal symmetry, which is solely contributed by magnetic structure. Moreover, the proposed classification scheme facilitates the determination of magnetic structures through SHG effect.

cond-mat.mtrl-sci

Switchable and unswitchable bulk photovoltaic effect in two-dimensional interlayer-sliding ferroelectrics

Spontaneous polarization and bulk photovoltaic effect (BPVE) are two concomitant physical properties in ferroelectric materials. The flipping of ferroelectric order usually accompanies with the switching of BPVE as both of them are reversed under the inversion symmetry. In this study, we report the distinctive BPVE characters in two-dimensional (2D) interlayer sliding ferroelectric materials featuring unswitchable in-plane BPVE (light-induced photocurrent in the xy plane) and switchable out-of-plane BPVE (light-induced polarization along the z-direction). Symmetry analysis within abstract bilayer crystal model and first-principles calculations validate these BPVE properties. It is because the positive and negative ferroelectric states caused by interlayer sliding are related by mirror symmetry which cannot flip all the BPVE tensor elements. This finding extends the understanding of the relationship between ferroelectricity and BPVE. On one hand, the switchable out-of-plane BPVE can be used to design switchable photoelectric devices. On the other hand, the in-plane BPVE is robust against the ferroelectric flipping, and the unswitchable character is beneficial to construct larger-scale photoelectric devices.

cond-mat.mtrl-sci

FEAFA+: An Extended Well-Annotated Dataset for Facial Expression Analysis and 3D Facial Animation

Nearly all existing Facial Action Coding System-based datasets that include facial action unit (AU) intensity information annotate the intensity values hierarchically using A--E levels. However, facial expressions change continuously and shift smoothly from one state to another. Therefore, it is more effective to regress the intensity value of local facial AUs to represent whole facial expression changes, particularly in the fields of expression transfer and facial animation. We introduce an extension of FEAFA in combination with the relabeled DISFA database, which is available at https://www.iiplab.net/feafa+/ now. Extended FEAFA (FEAFA+) includes 150 video sequences from FEAFA and DISFA, with a total of 230,184 frames being manually annotated on floating-point intensity value of 24 redefined AUs using the Expression Quantitative Tool. We also list crude numerical results for posed and spontaneous subsets and provide a baseline comparison for the AU intensity regression task.

cs.CV

Mechanical Properties of Atomically Thin Tungsten Dichalcogenides: WS$_2$, WSe$_2$ and WTe$_2$

Two-dimensional (2D) tungsten disulfide (WS$_2$), tungsten diselenide (WSe$_2$), and tungsten ditelluride (WTe$_2$) draw increasing attention due to their attractive properties deriving from the heavy tungsten and chalcogenide atoms, but their mechanical properties are still mostly unknown. Here, we determine the intrinsic and air-aged mechanical properties of mono-, bi-, and trilayer (1-3L) WS$_2$, WSe$_2$ and WTe$_2$ using a complementary suite of experiments and theoretical calculations. High-quality 1L WS$_2$ has the highest Young's modulus (302.4+-24.1 GPa) and strength (47.0+-8.6 GPa) of the entire family, overpassing those of 1L WSe$_2$ (258.6+-38.3 and 38.0+-6.0 GPa, respectively) and WTe$_2$ (149.1+-9.4 and 6.4+-3.3 GPa, respectively). However, the elasticity and strength of WS$_2$ decrease most dramatically with increased thickness among the three materials. We interpret the phenomenon by the different tendencies for interlayer sliding in equilibrium state and under in-plane strain and out-of-plane compression conditions in the indentation process, revealed by finite element method (FEM) and density functional theory (DFT) calculations including van der Waals (vdW) interactions. We also demonstrate that the mechanical properties of the high-quality 1-3L WS$_2$ and WSe$_2$ are largely stable in the air for up to 20 weeks. Intriguingly, the 1-3L WSe$_2$ shows increased modulus and strength values with aging in the air. This is ascribed to oxygen doping, which reinforces the structure. The present study will facilitate the design and use of 2D tungsten dichalcogenides in applications, such as strain engineering and flexible field-effect transistors (FETs).

cond-mat.mtrl-sci

Outstanding Thermal Conductivity of Single Atomic Layer Isotope-Modified Boron Nitride

Materials with high thermal conductivities (k) is valuable to solve the challenge of waste heat dissipation in highly integrated and miniaturized modern devices. Herein, we report the first synthesis of atomically thin isotopically pure hexagonal boron nitride (BN) and its one of the highest k among all semiconductors and electric insulators. Single atomic layer (1L) BN enriched with 11B has a k up to 1009 W/mK at room temperature. We find that the isotope engineering mainly suppresses the out-of-plane optical (ZO) phonon scatterings in BN, which subsequently reduces acoustic-optical scatterings between ZO and transverse acoustic (TA) and longitudinal acoustic (LA) phonons. On the other hand, reducing the thickness to single atomic layer diminishes the interlayer interactions and hence Umklapp scatterings of the out-of-plane acoustic (ZA) phonons, though this thickness-induced k enhancement is not as dramatic as that in naturally occurring BN. With many of its unique properties, atomically thin monoisotopic BN is promising on heat management in van der Waals (vdW) devices and future flexible electronics. The isotope engineering of atomically thin BN may also open up other appealing applications and opportunities in 2D materials yet to be explored.

cond-mat.mtrl-sci

Two-dimensional van der Waals Heterostructures for Synergistically Improved Surface Enhanced Raman Spectroscopy

Surface enhanced Raman spectroscopy (SERS) is a precise and non-invasive analytical technique that is widely used in chemical analysis, environmental protection, food processing, pharmaceutics, and diagnostic biology. However, it is still a challenge to produce highly sensitive and reusable SERS substrates with minimum fluorescence background. In this work, we propose the use of van der Waals heterostructures of two-dimensional materials (2D materials) to cover plasmonic metal nanoparticles to solve this challenge. The heterostructures of atomically thin boron nitride (BN) and graphene provide synergistic effects: (1) electrons could tunnel through the atomically thin BN, allowing the charge transfer between graphene and probe molecules to suppress fluorescence background; (2) the SERS sensitivity is enhanced by graphene via chemical enhancement mechanism (CM) in addition to electromagnetic field mechanism (EM); (3) the atomically thin BN protects the underlying graphene and Ag nanoparticles from oxidation during heating for regeneration at 360 °C in the air so that the SERS substrates could be reused. These advances will facilitate wider applications of SERS, especially on the detection of fluorescent molecules with higher sensitivity.

physics.app-ph

Atomically Thin Boron Nitride as an Ideal Spacer for Metal-Enhanced Fluorescence

The metal-enhanced fluorescence (MEF) considerably enhances the luminescence for various applications, but its performance largely depends on the dielectric spacer between the fluorophore and plasmonic system. It is still challenging to produce a defect-free spacer having an optimized thickness with a subnanometer accuracy that enables reusability without affecting the enhancement. In this study, we demonstrate the use of atomically thin hexagonal boron nitride (BN) as an ideal MEF spacer owing to its multifold advantages over the traditional dielectric thin films. With rhodamine 6G as a representative fluorophore, it largely improves the enhancement factor (up to ~95+-5), sensitivity (10^-8 M), reproducibility, and reusability (~90% of the plasmonic activity is retained after 30 cycles of heating at 350 °C in air) of MEF. This can be attributed to its two-dimensional structure, thickness control at the atomic level, defect-free quality, high affinities to aromatic fluorophores, good thermal stability, and excellent impermeability. The atomically thin BN spacers could increase the use of MEF in different fields and industries.

physics.app-ph

Comment on "Orientational Distribution of Free O-H Groups of Interfacial Water is Exponential"

In a recent letter (PRL,121,246101,2018), Sun et al. reported that combined MD simulation and sum frequency generation vibrational spectroscopy (SFG-VS) measurements led to conclusions of a broad and exponentially decaying orientational distribution, and the presence of the free O-H group pointing down to the bulk at the air/water interface. In this comment, we show that their main conclusions are based on questionable interpretation of the SFG-VS data presented in the letter [1], and are also contrary to the established data analysis and interpretations in the literature [2-5].

physics.chem-ph

High thermal conductivity of high-quality monolayer boron nitride and its thermal expansion

Heat management becomes more and more critical, especially in miniaturized modern devices, so the exploration of highly thermally conductive materials with electrical insulation and favorable mechanical properties is of great importance. Here, we report that high-quality monolayer boron nitride (BN) has a thermal conductivity (\k{appa}) of 751 W/mK at room temperature. Though smaller than that of graphene, this value is larger than that of cubic boron nitride (cBN) and only second to those of diamond and lately discovered cubic boron arsenide (BAs). Monolayer BN has the second largest \k{appa} per unit weight among all semiconductors and insulators, just behind diamond, if density is considered. The \k{appa} of atomically thin BN decreases with increased thickness. Our large-scale molecular dynamic simulations using Green-Kubo formalism accurately reproduce this trend, and the density functional theory (DFT) calculations reveal the main scattering mechanism. The thermal expansion coefficients (TECs) of monolayer to trilayer BN at 300-400 K are also experimentally measured, and the results are comparable to atomistic ab initio DFT calculations in a wider range of temperatures. Thanks to its wide bandgap, high thermal conductivity, outstanding strength, good flexibility, and excellent thermal and chemical stability, atomically thin BN is a strong candidate for heat dissipation applications, especially in the next generation of flexible electronic devices.

cond-mat.mtrl-sci

An Empirical Approach to the Bond Additivity Model in Quantitative Interpretation of Sum Frequency Generation Vibrational Spectra

A complete empirical approach from known Raman and IR spectra is used to make corrections to the bond additivity model for quantitative interpretation of Sum Frequency generation Vibrational Spectra (SFG-VS) from molecular interfaces. This empirical correction successfully addresses the failures of the simple bond additivity model. This empirical approach not only provides new understandings of the effectiveness and limitations of the bond additivity model, but also provides a practical roadmap for its application in SFG-VS studies of molecular interfaces.

physics.chem-ph

Polarization and Experimental Configuration Analysis of Sum Frequency Generation Vibrational Spectra of Air/Water Interface

Here we report a detailed study on spectroscopy, structure and dynamics of water molecules at air/water interface, investigated with Sum Frequency Generation Vibrational Spectroscopy (SFG-VS). Quantitative polarization and experimental configuration analysis of the SFG data in different polarizations with four sets of experimental configurations can shed new lights on our present understanding of the air/water interface. Firstly, we concluded that the motion of the interfacial water molecules can only be in a limited angular range, instead rapidly varying over a broad angular range in the vibrational relaxation time suggested previously. Secondly, because different vibrational modes of different molecular species at the interface has different symmetry properties, polarization and symmetry analysis of the SFG-VS spectral features can help assignment of the SFG-VS spectra peaks to different interfacial species. These analysis concluded that the narrow 3693cm-1 and broad 3550cm-1 peaks belong to C_ v symmetry, while the broad 3250cm-1 and 3450cm-1 peaks belong to the symmetric stretching modes with C_2v symmetry. Thus, the 3693cm-1 peak is assigned to the free OH, the 3550cm-1 peak is assigned to the single hydrogen bonded OH stretching mode, and the 3250cm-1 and 3450cm-1 peaks are assigned to interfacial water molecules as two hydrogen donors for hydrogen bonding (with C_2v symmetry), respectively. Thirdly, analysis of the SFG-VS spectra concluded that the singly hydrogen bonded water molecules at the air/water interface have their dipole vector direct almost parallel to the interface, and is with a very narrow orientational distribution. The doubly hydrogen bond donor water molecules have their dipole vector point away from the liquid phase.

cond-mat.other

Orientation and Motion of Water Molecules at Air/Water Interface

Analysis of SFG vibrational spectra of OH stretching bands in four experimental configurations shows that orientational motion of water molecule at air/water interface is libratory within a limited angular range. This picture is significantly different from the previous conclusion that the interfacial water molecule orientation varies over a broad range within the vibrational relaxation time, the only direct experimental evidence for ultrafast and broad orientational motion of a liquid interface by Wei et al. [Phys. Rev. Lett. 86, 4799, (2001)] using single SFG experimental configuration.

cond-mat.other