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Published work

23 published item(s)

preprint2026arXiv

Accelerated and data-efficient flow prediction in stirred tanks via physics-informed learning

The simulation of fluid flows is computationally expensive due to the complexity of its governing partial differential equations. Machine learning models offer a potential surrogate, enabling learning from simulations and significantly faster predictions of flow fields. However, these models require large training datasets, which introduces a trade-off between dataset generation cost and predictive accuracy. In this work, we investigate the relationship between the size of the training-set and accuracy of the prediction when learning steady flow fields in an industrial-scale stirred vessel. A data set of steady flows is generated using Reynolds Averaged Navier Stokes (RANS) simulations in a range of realistic operating conditions, including impeller speeds and liquid heights. We train implicit neural representations of flow fields and compare purely data-driven and constrained variants. Model performance is evaluated using global mean squared error (MSE), qualitative spatial comparisons of predicted and reference flow fields, and tracer transport simulations. We find that the prediction error decreases monotonically with increasing training data, but also that it exhibits clear diminishing returns beyond moderate dataset sizes. Physics-based constraints significantly improve accuracy and reduce variability across training runs in low-data regimes, and they lead to more stable tracer-transport behavior. Furthermore, reasonable interpolation can be achieved over different impeller speeds and liquid heights. However, these benefits come with an increase in the complexity of training, and their relative advantage diminishes as the training set grows.

preprint2022arXiv

A New High Energy Efficiency Scheme Based on Two-Dimension Resource Blocks in Wireless Communication Systems

Energy efficiency (EE) plays a key role in future wireless communication network and it is easily to achieve high EE performance in low SNR regime. In this paper, a new high EE scheme is proposed for a MIMO wireless communication system working in the low SNR regime by using two dimension resource allocation. First, we define the high EE area based on the relationship between the transmission power and the SNR. To meet the constraint of the high EE area, both frequency and space dimension are needed. Besides analysing them separately, we decided to consider frequency and space dimensions as a unit and proposed a two-dimension scheme. Furthermore, considering communication in the high EE area may cause decline of the communication quality, we add quality-of-service(QoS) constraint into the consideration and derive the corresponding EE performance based on the effective capacity. We also derive an approximate expression to simplify the complex EE performance. Finally, our numerical results demonstrate the effectiveness of the proposed scheme.

preprint2022arXiv

A new type of cyclotron resonance from charge-impurity scattering in the bulk-insulating Bi$_2$Se$_3$ thin films

This work focuses on the low frequency Drude response of bulk-insulating topological insulator Bi$_2$Se$_3$ films. The frequency and field dependence of the mobility and carrier density are measured simultaneously via time-domain terahertz spectroscopy. These films are grown on buffer layers, capped by Se, and have been exposed in air for months. Under a magnetic field up to 7 Tesla, we observe prominent cyclotron resonances (CRs). We attribute the sharp CR to two different topological surface states (TSSs) from both surfaces of the films. The CR sharpens at high fields due to an electron-impurity scattering. By using magneto-terahertz spectroscopy, we confirm that these films are bulk-insulating, which paves the way to use intrinsic topological insulators without bulk carriers for applications including topological spintronics and quantum computing.

preprint2022arXiv

Capturing Evolution Genes for Time Series Data

The modeling of time series is becoming increasingly critical in a wide variety of applications. Overall, data evolves by following different patterns, which are generally caused by different user behaviors. Given a time series, we define the evolution gene to capture the latent user behaviors and to describe how the behaviors lead to the generation of time series. In particular, we propose a uniform framework that recognizes different evolution genes of segments by learning a classifier, and adopt an adversarial generator to implement the evolution gene by estimating the segments' distribution. Experimental results based on a synthetic dataset and five real-world datasets show that our approach can not only achieve a good prediction results (e.g., averagely +10.56% in terms of F1), but is also able to provide explanations of the results.

preprint2022arXiv

Cavity-Enhanced Linear Dichroism in a van der Waals Antiferromagnet

Optical birefringence is a fundamental optical property of crystals widely used for filtering and beam splitting of photons. Birefringent crystals concurrently possess the property of linear dichroism (LD) that allows asymmetric propagation or attenuation of light with two different polarizations. This property of LD has been widely studied from small molecules to polymers and crystals but has rarely been engineered per will. Here, we use the newly discovered spin-charge coupling in van der Waals antiferromagnetic (AFM) insulator FePS3 to induce large in-plane optical anisotropy and consequently LD. We report that the LD in this AFM insulator is tunable both spectrally and magnitude-wise as a function of cavity coupling. We demonstrate near-unity LD in the visible-near infrared range in cavity-coupled FePS3 crystals and derive its dispersion as a function of cavity length and FePS3 thickness. Our results hold wide implications for use of cavity tuned LD as a diagnostic probe for strongly correlated quantum materials as well as opens new opportunities for miniaturized, on-chip beam-splitters and tunable filters.

preprint2022arXiv

Efficient Chemical Space Exploration Using Active Learning Based on Marginalized Graph Kernel: an Application for Predicting the Thermodynamic Properties of Alkanes with Molecular Simulation

We introduce an explorative active learning (AL) algorithm based on Gaussian process regression and marginalized graph kernel (GPR-MGK) to explore chemical space with minimum cost. Using high-throughput molecular dynamics simulation to generate data and graph neural network (GNN) to predict, we constructed an active learning molecular simulation framework for thermodynamic property prediction. In specific, targeting 251,728 alkane molecules consisting of 4 to 19 carbon atoms and their liquid physical properties: densities, heat capacities, and vaporization enthalpies, we use the AL algorithm to select the most informative molecules to represent the chemical space. Validation of computational and experimental test sets shows that only 313 (0.124\% of the total) molecules were sufficient to train an accurate GNN model with $\rm R^2 > 0.99$ for computational test sets and $\rm R^2 > 0.94$ for experimental test sets. We highlight two advantages of the presented AL algorithm: compatibility with high-throughput data generation and reliable uncertainty quantification.

preprint2022arXiv

Fast and Arbitrary Beam Pattern Design for RIS-Assisted Terahertz Wireless Communication

Reconfigurable intelligent surface (RIS) can assist terahertz wireless communication to restore the fragile line-of-sight links and facilitate beam steering. Arbitrary reflection beam patterns are desired to meet diverse requirements in different applications. This paper establishes relationship between RIS beam pattern design with two-dimensional finite impulse response filter design and proposes a fast non-iterative algorithm to solve the problem. Simulations show that the proposed method outperforms baseline method. Hence, it represents a promising solution for fast and arbitrary beam pattern design in RIS-assisted terahertz wireless communication.

preprint2022arXiv

Giant intrinsic anomalous terahertz Faraday rotation in the magnetic Weyl semimetal Co$_2$MnGa at room temperature

We report measurement of terahertz anomalous Hall conductivity and Faraday rotation in the magnetic Weyl semimetal Co$_2$MnGa thin films as a function of the magnetic field, temperature and thickness, using time-domain terahertz spectroscopy. The terahertz conductivity shows a thickness-independent anomalous Hall conductivity of around 600 $Ω^{-1}\cdot cm^{-1}$ at room temperature, and it is also frequency-independent from 0.2-1.5 THz. The magnitude of the longitudinal and Hall conductivities, the weak spin-orbit coupling, and the very close positioning of Weyl points to the chemical potential all satisfy the criteria for intrinsic anomalous Hall conductivity. First-principle calculation also supports the frequency-independent intrinsic anomalous Hall conductivity at low frequency. We also find a thickness-independent Faraday rotation of 59 ($\pm6$) mrad at room temperature, which comes from the intrinsic Berry curvature contribution. In the thinnest 20 nm sample, the Faraday rotation divided by the sample thickness reaches around 3 mrad/nm due to Berry curvature, and is the largest reported at room temperature. The giant Verdet constant of the order of 10 $^{6}$ rad m $^{-1}$ T $^{-1}$ at room temperature and the large Hall angle around 8.5 $\%$ from 0.2-1.5 THz indicates that Co$_2$MnGa is promising for THz spintronics at room temperature.

preprint2022arXiv

Observation of giant surface second harmonic generation coupled to nematic orders in the van der Waals antiferromagnet FePS$_3$

Second harmonic generation has been applied to study lattice, electronic and magnetic proprieties in atomically thin materials. However, inversion symmetry breaking is usually required for the materials to generate a large signal. In this work, we report a giant second-harmonic generation that arises below the Néel temperature in few-layer centrosymmetric FePS$_3$. Layer-dependent study indicates the detected signal is from the second-order nonlinearity of the surface. The magnetism-induced surface second-harmonic response is two orders of magnitude larger than those reported in other magnetic systems, with the surface nonlinear susceptibility reaching 0.08--0.13 nm$^2$/V in 2 L--5 L samples. By combing linear dichroism and second harmonic generation experiments, we further confirm the giant second-harmonic generation is coupled to nematic orders formed by the three possible Zigzag antiferromagnetic domains. Our study shows that the surface second-harmonic generation is also a sensitive tool to study antiferromagnetic states in centrosymmetric atomically thin materials.

preprint2022arXiv

Recycling of Perovskite Substrate

The use of water-soluble sacrificial layer of Sr$_3$Al$_2$O$_6$ has tremendously boosted the research on freestanding functional oxide thin films, especially thanks to its ultimate capability to produce high-quality epitaxial perovskite thin films. However, the costly single-crystalline substrates, e.g. SrTiO$_3$, were generally discarded after obtaining the freestanding thin films. Here, we demonstrate that the SrTiO$_3$ substrates can be recycled to fabricate La$_{0.7}$Sr$_{0.3}$MnO$_3$ films with nearly identical structural and electrical properties. After attaining freestanding thin films, the residues on SrTiO$_3$ can be removed by 80 \degree C hot water soaking and rinsing treatments. Consequently, the surface of SrTiO$_3$ reverted to its original step-and-terrace structure.

preprint2022arXiv

Remote Work Optimization with Robust Multi-channel Graph Neural Networks

The spread of COVID-19 leads to the global shutdown of many corporate offices, and encourages companies to open more opportunities that allow employees to work from a remote location. As the workplace type expands from onsite offices to remote areas, an emerging challenge for an online hiring marketplace is how these remote opportunities and user intentions to work remotely can be modeled and matched without prior information. Despite the unprecedented amount of remote jobs posted amid COVID-19, there is no existing approach that can be directly applied. Introducing a brand new workplace type naturally leads to the cold-start problem, which is particularly more common for less active job seekers. It is challenging, if not impossible, to onboard a new workplace type for any predictive model if existing information sources can provide little information related to a new category of jobs, including data from resumes and job descriptions. Hence, in this work, we aim to propose a principled approach that jointly models the remoteness of job seekers and job opportunities with limited information, which also suffices the needs of web-scale applications. Existing research on the emerging type of remote workplace mainly focuses on qualitative studies, and classic predictive modeling approaches are inapplicable considering the problem of cold-start and information scarcity. We precisely try to close this gap with a novel graph neural architecture. Extensive experiments on large-scale data from real-world applications have been conducted to validate the superiority of the proposed approach over competitive baselines. The improvement may translate to more rapid onboarding of the new workplace type that can benefit job seekers who are interested in working remotely.

preprint2021arXiv

Giant topological longitudinal circular photo-galvanic effect in the chiral multifold semimetal CoSi

The absence of mirror symmetry, or chirality, is behind striking natural phenomena found in systems as diverse as DNA and crystalline solids. A remarkable example occurs when chiral semimetals with topologically protected band degeneracies are illuminated with circularly polarized light. Under the right conditions, the part of the generated photocurrent that switches sign upon reversal of the light's polarization, known as the circular photogalvanic effect, is predicted to depend only on fundamental constants. The conditions to observe quantization are non-universal, and depend on material parameters and the incident frequency. In this work, we perform terahertz emission spectroscopy with tunable photon energy from 0.2 eV - 1.1 eV in the chiral topological semimetal CoSi. We identify a large longitudinal photocurrent peaked at 0.4 eV reaching $\sim$ 550 $μA/V^{2}$, which is much larger than the photocurrent in any chiral crystal reported in the literature. Using first-principles calculations we establish that the peak originates from topological band crossings, reaching 3.3$\pm$0.3 in units of the quantization constant. Our calculations indicate that the quantized CPGE is within reach in CoSi upon doping and increase of the hot-carrier lifetime. The large photo-conductivity suggests that topological semimetals could potentially be used as novel mid-infrared detectors.

preprint2020arXiv

Berry phase manipulation in ultrathin SrRuO$_3$ films

A notion of the Berry phase is a powerful means to unravel the non-trivial role of topology in various novel phenomena observed in chiral magnetic materials and structures. A celebrated example is the intrinsic anomalous Hall effect (AHE) driven by the non-vanishing Berry phase in the momentum space. As the AHE is highly dependent on details of the band structure near the Fermi edge, the Berry phase and AHE can be altered in thin films whose chemical potential is tunable by dimensionality and disorder. Here, we demonstrate that in ultrathin SrRuO$_3$ films the Berry phase can be effectively manipulated by the effects of disorder on the intrinsic Berry phase contribution to the AHE, which is corroborated by our numerically exact calculations. In addition, our findings provide ample experimental evidence for the superficial nature of the topological Hall effect attribution to the protected spin texture and instead lend strong support to the multi-channel AHE scenario in ultrathin SrRuO$_3$.

preprint2020arXiv

Data-Rate Driven Transmission Strategy for Deep Learning Based Communication Systems

Deep learning (DL) based autoencoder is a promising architecture to implement end-to-end communication systems. One fundamental problem of such systems is how to increase the transmission rate. Two new schemes are proposed to address the limited data rate issue: adaptive transmission scheme and generalized data representation (GDR) scheme. In the first scheme, an adaptive transmission is designed to select the transmission vectors for maximizing the data rate under different channel conditions. The block error rate (BLER) of the first scheme is 80% lower than that of the conventional one-hot vector scheme. This implies that higher data rate can be achieved by the adaptive transmission scheme. In the second scheme, the GDR replaces the conventional one-hot representation. The GDR scheme can achieve higher data rate than the conventional one-hot vector scheme with comparable BLER performance. For example, when the vector size is eight, the proposed GDR scheme can double the date rate of the one-hot vector scheme. Besides, the joint scheme of the two proposed schemes can create further benefits. The effect of signal-to-noise ratio (SNR) is analyzed for these DL-based communication systems. Numerical results show that training the autoencoder using data set with various SNR values can attain robust BLER performance under different channel conditions.

preprint2020arXiv

Electron-Hole Asymmetry of Surface States in Topological Insulator Sb2Te3 Thin Films Revealed by Magneto-Infrared Spectroscopy

When surface states (SSs) form in topological insulators (TIs), they inherit the properties of bulk bands, including the electron-hole (e-h) asymmetry but with much more profound impacts. Here, via combining magneto-infrared spectroscopy with theoretical analysis, we show that e-h asymmetry significantly modifies the SS electronic structures when interplaying with the quantum confinement effect. Compared to the case without e-h asymmetry, the SSs now bear not only a band asymmetry as that in the bulk but also a shift of the Dirac point relative to the bulk bands and a reduction of the hybridization gap up to 70%. Our results signify the importance of e-h asymmetry in band engineering of TIs in the thin film limit.

preprint2020arXiv

Joint User Identification and Channel Estimation Over Rician Fading Channels

This paper considers crowded massive multiple input multiple output (MIMO) communications over a Rician fading channel, where the number of users is much greater than the number of available pilot sequences. A joint user identification and line-of-sight (LOS) component derivation algorithm is proposed without requiring a threshold. Based on the derived LOS component, we design a LOS-only channel estimator and an updated channel estimator.

preprint2020arXiv

Kondo physics in antiferromagnetic Weyl semimetal Mn3+xSn1-x films

Topology and strong electron correlations are crucial ingredients in emerging quantum materials, yet their intersection in experimental systems has been relatively limited to date. Strongly correlated Weyl semimetals, particularly when magnetism is incorporated, offer a unique and fertile platform to explore emergent phenomena in novel topological matter and topological spintronics. The antiferromagnetic Weyl semimetal Mn3Sn exhibits many exotic physical properties such as a large spontaneous Hall effect and has recently attracted intense interest. In this work, we report synthesis of epitaxial Mn3+xSn1-x films with greatly extended compositional range in comparison with that of bulk samples. As Sn atoms are replaced by magnetic Mn atoms, the Kondo effect, which is a celebrated example of strong correlations, emerges, develops coherence, and induces a hybridization energy gap. The magnetic doping and gap opening lead to rich extraordinary properties as exemplified by the prominent DC Hall effects and resonance-enhanced terahertz Faraday rotation.

preprint2020arXiv

Mathematical Modeling of Business Reopening when Facing SARS-CoV-2 Pandemic: Protection, Cost and Risk

The sudden onset of the coronavirus (SARS-CoV-2) pandemic has resulted in tremendous loss of human life and economy in more than 210 countries and territories around the world. While self-protections such as wearing mask, sheltering in place and quarantine polices and strategies are necessary for containing virus transmission, tens of millions people in the U.S. have lost their jobs due to the shutdown of businesses. Therefore, how to reopen the economy safely while the virus is still circulating in population has become a problem of significant concern and importance to elected leaders and business executives. In this study, mathematical modeling is employed to quantify the profit generation and the infection risk simultaneously from the point of view of a business entity. Specifically, an ordinary differential equation model was developed to characterize disease transmission and infection risk. An algebraic equation is proposed to determine the net profit that a business entity can generate after reopening and take into account the costs associated of several protection/quarantine guidelines. All model parameters were calibrated based on various data and information sources. Sensitivity analyses and case studies were performed to illustrate the use of the model in practice.

preprint2020arXiv

Performance of Wireless Optical Communication With Reconfigurable Intelligent Surfaces and Random Obstacles

It is difficult for free space optical communication to be applied in mobile communication due to the obstruction of obstacles in the environment, which is expected to be solved by reconfigurable intelligent surface technology. The reconfigurable intelligent surface is a new type of digital coding meta-materials, which can reflect, compute and program electromagnetic and optical waves in real time. We purpose a controllable multi-branch wireless optical communication system based on the optical reconfigurable intelligent surface technology. By setting up multiple optical reconfigurable intelligent surface in the environment, multiple artificial channels are built to improve system performance and to reduce the outage probability. Three factors affecting channel coefficients are investigated in this paper, which are beam jitter, jitter of the reconfigurable intelligent surface and the probability of obstruction. Based on the model, we derive the closed-form probability density function of channel coefficients, the asymptotic system's average bit error rate and outage probability for systems with single and multiple branches. It is revealed that the probability density function contains an impulse function, which causes irreducible error rate and outage probability floors. Numerical results indicate that compared with free-space optical communication systems with single direct path, the performance of the multi-branch system is improved and the outage probability is reduced.

preprint2020arXiv

Phase transition and entropic force of de Sitter black hole in massive gravity

It is well known that de Sitter(dS) black holes generally have a black hole horizon and a cosmological horizon, both of which have Hawking radiation. But the radiation temperature of the two horizons is generally different, so dS black holes do not meet the requirements of thermal equilibrium stability, which brings certain difficulties to the study of the thermodynamic characteristics of black holes. In this paper, dS black hole is regarded as a thermodynamic system, and the effective thermodynamic quantities of the system are obtained. The influence of various state parameters on the effective thermodynamic quantities in the massive gravity space-time is discussed. The condition of the phase transition of the de Sitter black hole in massive gravity space-time is given. We consider that the total entropy of the dS black hole is the sum of the corresponding entropy of the two horizons plus an extra term from the correlation of the two horizons. By comparing the entropic force of interaction between black hole horizon and the cosmological horizon with Lennard-Jones force between two particles, we find that the change rule of entropic force between the two system is surprisingly the same. The research will help us to explore the real reason of accelerating expansion of the universe.

preprint2020arXiv

Thermodynamic properties of higher-dimensional dS black holes in dRGT massive gravity

On the basis of the state parameter of de Sitter space-time satisfying the first law of thermodynamics,we can derive some effective thermodynamic quantities.When the temperature of the black hole horizon is equal to that of the cosmological horizon, we think that the effective temperature of the space-time should have the same value. Using this condition, we obtain a differential equation of the entropy of the de Sitter black hole in the higherdimensional de Rham, Gabadadze and Tolley (dRGT) massive gravity. Solving the differential equation, we obtain the corrected entropy and effective thermodynamic quantities of the de Sitter black hole. The results show that for multiparameter black holes, the entropy satisfied differential equation is invariable with different independent state parameters. Therefore, the entropy of higher-dimensional dS black holes in dRGT massive gravity is only a function of the position of the black hole horizon, and is independent of other state parameters. It is consistent with the corresponding entropy of the black hole horizon and the cosmological horizon. The thermodynamic quantities of self-consistent de Sitter spacetime are given theoretically, and the equivalent thermodynamic quantities have the second-order phase transformation similar to AdS black hole, but unlike AdS black hole, the equivalent temperature of de Sitter space-time has a maximum value. By satisfying the requirement of thermodynamic equilibrium and stability of space-time, the conditions for the existence of dS black holes in the universe are obtained.

preprint2020arXiv

Two New Approaches to Optical IRSs: Schemes and Comparative Analysis

Oriented to the point-to-multipoint free space optical communication (FSO) scenarios, this paper analyzes the micro-mirror array and phased array-type optical intelligent reflecting surface (OIRS) in terms of control mode, power efficiency, and beam splitting. We build the physical models of the two types of OIRSs. Based on the models, the closed form solution of OIRSs' output power density distribution and power efficiency, along with their control algorithms have been derived. Then we propose the algorithms of beam splitting and multi-beam power allocation for two types of OIRSs. The channel fading in FSO system and the comparison of two types of OIRSs in actual systems are discussed according to the analytical results. Experiments and simulations are both presented to verify the feasibility of models and algorithms.

preprint2017arXiv

A compact broadband terahertz range quarter-wave plate

We detail the design and characterization of a terahertz range achromatic quarter-wave plate based on a stack of aligned variable thickness birefringent sapphire discs. The disc thicknesses and relative rotations of the discs are determined through a basin-hopping Monte Carlo thermal annealing routine. The basin-hopping scheme allows an improved refinement of the required thicknesses and rotations to give a predicted phase error from the ideal $π/2$ of only $0.5 \%$, which is a factor of approximately 6 better than previous efforts. Moreover, the large contrast between extraordinary and ordinary axes of sapphire allow us to greatly decrease the overall optical path length of our wave plate design by approximately a factor of 10 over similar designs based on quartz discs. However, this very same contrast requires very precise tolerances in the milled thicknesses of the discs and their assembly. We detail a method to compensate for differences in the thickness from their calculated ideal values. We have constructed one of our designs and found it similar in performance to other configurations, but with our much more compact geometry.