Translating XPS Measurement Procedure for Band Alignment into Reliable Ab-initio Calculation Method

Band alignment between solids is a crucial issue in condensed matter physics and electronic devices. Although the XPS method has been used as a routine method for determination of the band alignment, the theoretical calculations by copying the XPS band alignment procedure usually fail to match the measured results. In this work, a reliable ab-initio calculation method for band alignment is proposed on the basis of the XPS procedure and in consideration of surface polarity and lattice deformation. Application of our method to anatase and rutile TiO2 shows well agreement between calculation and experiment. Furthermore, our method can produce two types of band alignment: the coupled and the intrinsic, depending on whether the solid/solid interface effect is involved or not. The coupled and intrinsic band alignments correspond to alignments measured by XPS and electrochemical impedance analysis, respectively, explaining why band alignments reported by these two experiments are rather inconsistent

GADY: Unsupervised Anomaly Detection on Dynamic Graphs

Anomaly detection on dynamic graphs refers to detecting entities whose behaviors obviously deviate from the norms observed within graphs and their temporal information. This field has drawn increasing attention due to its application in finance, network security, social networks, and more. However, existing methods face two challenges: dynamic structure constructing challenge - difficulties in capturing graph structure with complex time information and negative sampling challenge - unable to construct excellent negative samples for unsupervised learning. To address these challenges, we propose Unsupervised Generative Anomaly Detection on Dynamic Graphs (GADY). To tackle the first challenge, we propose a continuous dynamic graph model to capture the fine-grained information, which breaks the limit of existing discrete methods. Specifically, we employ a message-passing framework combined with positional features to get edge embeddings, which are decoded to identify anomalies. For the second challenge, we pioneer the use of Generative Adversarial Networks to generate negative interactions. Moreover, we design a loss function to alter the training goal of the generator while ensuring the diversity and quality of generated samples. Extensive experiments demonstrate that our proposed GADY significantly outperforms the previous state-of-the-art method on three real-world datasets. Supplementary experiments further validate the effectiveness of our model design and the necessity of each module

Investigation of aero-hydro-elastic-mooring behavior of a H-type floating vertical axis wind turbine using coupled CFD-FEM method.

Floating vertical axis wind turbines (VAWTs) are being explored as a promising new option for harnessing offshore wind energy due to their unique advantages, including low installation and maintenance costs, high operational efficiency in wind farm clusters, and scalability of rotor sizes. However, the lack of software capable of simulating the aeroelastic of VAWTs poses a significant barrier to their further development and deployment. The aim of this paper is to develop a fully coupled aero-hydro-elastic-mooring-material model for floating VAWTs. The aerodynamic performance, hydrodynamic response and structural nonlinearities of the floating VAWT are analyzed in detail using Computational Fluid Dynamics (CFD) and the Finite Element Method (FEM). The results indicate that: (i) The dynamic response of the floating VAWT platform results in more pronounced fluctuations in the power coefficient, characterized by frequent spike-like extreme values, compared to fixed VAWT. Nevertheless, wake dissipation in floating VAWT is quicker, facilitating faster flow recovery and a more marked acceleration effect in the flow field. (ii) The surge and pitch motions of the platform affect the velocity of the blades relative to the fluid, resulting in additive and subtractive effects with the incoming flow. This interaction gives the blade torque of the floating VAWT an alternating performance advantage in the upwind region, compared to fixed VAWT; (iii) Stress analysis reveals that the highest levels of stress occur at the juncture between the support arm and the blade, with significant stress also present at the bottom of the central pontoon. In contrast, the blade tips exhibit the lowest stress levels. (iv) The blades of the floating VAWT undergo radial deformation due to wind loads and centrifugal forces, while the support arms experience vertical vibrations, driven by their own weight combined with that of the blades. (v) The mooring lines, particularly influenced by platform traction and frequent interactions with the seabed, show dynamic shifts in maximum contact pressures, especially between moorings C2 and C3. Mooring C2, located on the windward side, consistently faces more intense seabed interactions

An ultralight, supercompressible, superhydrophobic and multifunctional carbon aerogel with a specially designed structure

Abstract(#br)Compressible and ultralight carbon aerogels are attractive due to its compressibility, elasticity and conductivity. However, it is still a great challenge to enrich the properties of carbon aerogel to meet various requirements. Herein, we report an untralight, supercompressible, fatigue resistant, superhydrophobic and fire-resistant and multifunctional CNF-GO/glucose-kaolin carbon aerogel (C-NGGK) carbon aerogel. To achieve such excellent performances, calcined GO, CNFs, glucose and kaolin are used for forming low-density and continuous wave-shape rGO layers, reinforcing the mechanical strength of carbon layers, realizing superelasticity and fatigue resistance and resulting in a superhydrophobic surface for C-NGGK, respectively. The as-prepared C-NGGK demonstrates excellent superhydrophobicity with the water contact angle (WCA) of 124.9°, and the absorption efficiency of the C-NGGK samples for different oils and organic solvents are 75–255 times their own weight. These advantages show that the C-NGGK can be an ideal candidate for oil/water separation. In addition, there is also the prospect to be used for pressure sensors, while other potential applications include three-dimensional electrode materials for supercapacitors and batteries, catalyst carriers and various wearable devices

Berberine Radiosensitizes Human Esophageal Cancer Cells by Downregulating Homologous Recombination Repair Protein RAD51

Esophageal squamous cell carcinomas (ESCC) have poor prognosis. While combined modality of chemotherapy and radiotherapy increases survival, most patients die within five years. Development of agents that confer cancer cell-specific chemo- and radiosensitivity may improve the therapy of ESCC. We here reported the discovery of berberine as a potent radiosensitizing agent on ESCC cells. by RNA interference similarly radiosensitized the cancer cells, and, conversely, introduction of exogenous RAD51 was able to significantly counteract the radiosensitizing effect of berberine, thus establishing RAD51 as a key determinant in radiation sensitivity. We also observed that RAD51 was commonly overexpressed in human ESCC tissues, suggesting that it is necessary to downregulate RAD51 to achieve high radio- or chemotherapeutic efficacy of ESCC in clinic, because overexpression of RAD51 is known to confer radio- and chemoresistance.Berberine can effectively downregulate RAD51 in conferring radiosensitivity on esophageal cancer cells. Its clinical application as an adjuvant in chemotherapy and radiotherapy of esophageal cancers should be explored