Xiaoli Tan

Active learning–enhanced machine learning potential for unraveling structure–property relationships in FNaBeTh molten salt systems

Yuzhen Lv, Guang-Ying Li, Yichuan Liu, Lei Zhang et autres

cn (code pays fourni par la source)

Machine Learning-Accelerated Molecular Dynamics Simulations of PuF 3 in LiF-NaF-KF: Unraveling Coordination Chemistry and Ionic Transport Mechanisms

H Pan, Guang-Ying Li, Lei Zhang, Xiaoli Tan et autres

A thorough understanding of the microstructural evolution and thermophysical properties of Pu-containing molten salts is crucial for optimizing the performance of molten-salt reactor (MSR) fuel salts and spent-fuel reprocessing. This study combines active learning strategies with deep potential molecular dynamics to investigate …

cn (code pays fourni par la source)

A synergistic ligand complexation-electrocatalysis strategy for efficient uranyl extraction from nuclear wastewater

Juanlong Li, Hong Li, Youqian Kong, Sergey V. Churakov et autres

ABSTRACT The safe and energy-efficient treatment of uranium-containing nuclear wastewater, particularly under harsh acidic and fluoride-rich conditions, remains a major challenge for nuclear waste management. Conventional extraction methods suffer from significant energy barriers, as they require the destabilization of stable [UO 2 …

cn, ch, fr (code pays fourni par la source)

Controlled separation of Ce and Gd elements in the LiCl–KCl molten salt system

Yujia Sun, Dan Wu, Daoqing Ma, Jicheng Xu et autres

cn (code pays fourni par la source)

C3N4-modified diatomite nanocomposite for tribo-synergistic piezocatalytic extraction of U(VI)

Shuo Zhang, Yilin Dong, Feixue Gao, Ming Fang et autres

cn (code pays fourni par la source)

Machine Learning-Driven Exploration of Composition- and Temperature-Dependent Transport and Thermodynamic Properties in LiF-NaF-KF Molten Salts for Nuclear Applications

Guangying Li, Yuzhen Lv, Li Zhang, Kewei Jiang et autres

This study developed a high-precision deep potential (DP) model based on density functional theory (DFT) and the DP-GEN workflow to efficiently simulate the microscopic structures and thermophysical properties of LiF-NaF-KF molten salt systems with varying compositions. Through iterative optimization of the training …

cn, us (code pays fourni par la source)

Enhanced Raman Detection of Nitrite by Ag/NH 2 ‐Ni‐MOFs: Synergistic Polarization of Internal and External Electric Fields

Haorong Sun, Yan Chen, Xin Yuan Li, Ming Fang et autres

Abstract Excessive nitrites present in water pose a severe threat to human health. Given its high solubility, nitrite is hard to eliminate. Thus, it is crucial to assess the nitrite concentration in water bodies to avoid risk in advance. In this study, …

cn (code pays fourni par la source)

Enhanced generation of nano-microbubbles by andalusite in water for tribocatalysis of U(VI)

Feixue Gao, Shuo Zhang, Yilin Dong, Ming Fang et autres

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Separation and purification of Zr from a low-temperature LiCl–KCl–CsCl eutectic by the formation of dendritic crystal

Daoqing Ma, Jicheng Xu, Zhixuan Yi, Bin Ma et autres

Abstract Zirconium is widely used in the nuclear industry as a cladding material for nuclear reactors and loading nuclear fuel. From the perspective of safety and the economy, the recovery of zirconium from cladding waste at low temperatures is of strategic significance …

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Bifunctional Copper Metal–Organic Framework Catalyst for Late-Stage Functionalization of Alkenes

Lu Dong, Hu Chen, Xiaoli Tan, Ning Zhang et autres

Multifunctional catalysts in organic synthesis are highly attractive, particularly in the construction of complex molecules. In this work, we report a heterogeneous bifunctional Cu-based metal–organic framework (MOF) catalyst, IMU-108, serving as both a photoredox catalyst and a cross-coupling catalyst. IMU-108 was synthesized …

cn, us (code pays fourni par la source)

Transferring from Eu 3+ to Eu 2+ in Eu 2 O 3 -LiCl-KCl molten salt: an optical and electrochemical investigation

Zhixuan Yi, Yujia Sun, Jicheng Xu, Daoqing Ma et autres

Europium is an important element in the nuclear industry, which is usually applied in the high-temperature melt system. Therefore, due to relatively limited progress in understanding europium among all lanthanide elements, this study aims to disclose the important behavior of Eu3+ (Eu2O3) …

cn (code pays fourni par la source)

Machine Learning-Based Force Field Development and Microstructure-Property Investigation of Naf-Bef2 Molten Salt Fuel

Yu-Han Lv, Guangying Li, Lei Zhang, Xiaoli Tan et autres

cn (code pays fourni par la source)