A5100675406- nanoparticles nucleation surface interactions
- ZnO doping and properties
- Atmospheric chemistry and aerosols
- Nanopore and Nanochannel Transport Studies
- Wireless Communication Security Techniques
- Spectroscopy and Quantum Chemical Studies
- Mechanical Engineering and Vibrations Research
- Ga2O3 and related materials
- Power Transformer Diagnostics and Insulation
- Advanced Algorithms and Applications
- Soil Mechanics and Vehicle Dynamics
- High-Voltage Power Transmission Systems
- Advanced Wireless Communication Technologies
- Concrete Corrosion and Durability
- Acoustic Wave Phenomena Research
- Indoor and Outdoor Localization Technologies
- Vehicle Dynamics and Control Systems
- Gas Sensing Nanomaterials and Sensors
- Graphene research and applications
- Machine Learning in Materials Science
- Icing and De-icing Technologies
- Advanced Adaptive Filtering Techniques
- Simulation and Modeling Applications
- Atmospheric aerosols and clouds
- Semiconductor Quantum Structures and Devices
University of Hong Kong
2014-2025
Hong Kong University of Science and Technology
2014-2025
Fudan University
2022-2024
Inner Mongolia Electric Power (China)
2023-2024
Shandong University of Technology
2024
Wenzhou Municipal Sci-Tech Bureau
2024
HKUST Shenzhen Research Institute
2023
Shanghai University of Electric Power
2023
Ruhr University Bochum
2019-2023
State Grid Corporation of China (China)
2023
Here, we report the use of an amphiphilic Pt(II) complex, K[Pt{(O3SCH2CH2CH2)2bzimpy}Cl] (PtB), as a model to elucidate key role Pt···Pt interactions in directing self-assembly by combining temperature-dependent ultraviolet-visible (UV-Vis) spectroscopy, stopped-flow kinetic experiments, quantum mechanics (QM) calculations, and molecular dynamics (MD) simulations. Interestingly, found that mechanism PtB aqueous solution follows nucleation-free isodesmic model, revealed UV-Vis experiments. In...
Abstract The unusual properties of superconductivity in magic-angle twisted bilayer graphene (MATBG) have sparked considerable research interest 1–13 . However, despite the dedication intensive experimental efforts and proposal several possible pairing mechanisms 14–24 , origin its remains elusive. Here, by utilizing angle-resolved photoemission spectroscopy with micrometre spatial resolution, we reveal flat-band replicas superconducting MATBG, where MATBG is unaligned hexagonal boron...
Ice nucleation on the surface plays a vital role in diverse areas, ranging from physics and cryobiology to atmospheric science. Compared ice bulk, water-surface interactions present heterogeneous complicate process, making less comprehended, especially relationship between kinetics structures of critical nucleus. Here we combine Markov State Models transition path theory elucidate ensemble pathways nucleation. Our reveal that classical one-step non-classical two-step can surprisingly...
We propose a highly efficient and accurate numerical scheme named Truncated Atomic Plane Wave (TAPW) method to determine the subband structure of Twisted Bilayer Graphene (TBG) inspired by BM model. Our utilizes real space information carbon atoms in moir\'e unit cell projects full tight binding Hamiltonian into much smaller subspace using atomic plane waves. present electronic band structures TBG wide range twist angles together with detailed potential screened Coulomb interaction at first...
In this work, we investigate the effects of nanogrooves on heterogeneous ice nucleation (HIN) through molecular dynamics simulations. It is found that a surface significantly alter rate by more than 2 orders magnitude. Depending width grooves, can be enhanced or impeded compared with flat surfaces. For relatively large enhancement observed when effective groove multiple lattice constant, for which crystal nucleus forms in groove. narrow strong confinements lead to formation solid-like...
The microscopic mechanism of ion rejection phenomena has been explored using molecular dynamics simulations.
Heterogeneous ice nucleation (HIN) is strongly related to the dynamics of hydrogen bonds in water at an interface. In this work, we investigate microscopic kinetics HIN through molecular simulations. The bond network (HBN) interfaces studied under coupled effects thermal fluctuation and water–surface interactions. It revealed that lasting time HBN interface critical HIN. Under comparable surface effects, which result a proper HBN, promoted. However, if effect or dominates over other, would...
This research aimed to identify stable quantitative trait loci (QTL) associated with oil and protein content in soybean. A population of 196 recombinant inbred lines (RILs) derived from Huachun 2 × Wayao was used evaluate these target traits. high-density genetic linkage map constructed by using high-throughput genome-wide sequencing technology, which contained 3413 recombination bin markers spanned 5400.4 cM an average distance 1.58 between markers. Eighteen QTLs controlling were detected....
ABSTRACT Vibrational spectroscopy is commonly applied for investigating the chemical and physical properties of water aqueous solutions. Ab initio methods are used to analyze experimental spectra, offering valuable insights into structural dynamic properties. In cases where data limited or contentious systems subjected high pressure–temperature conditions extreme spatial confinement, ab can provide guidance experiments. Recent progress in algorithms computational power has driven substantial...
Abstract In this work, we study the diffusion of nanodroplets on smooth surfaces through molecular dynamics (MD) simulations and theoretical analyses. Molecular show that nanodroplet surface is different from single molecules solid particles. The dependence coefficient temperature undergoes a transition linear to nonlinear as wettability weakened due coupling energy. We also develop simple relation for by using contact angle radius droplet. It works well wide range wettabilities sized...
Inter-turn short circuit fault (ISCF) is the main type of dry-type air-core reactors (DARs), and reactor burnout event caused by winding ISCF seriously threatens safe stable operation electric power system. In order to effectively curb further worsening in DARs, a detection method based on frequency response analysis was proposed. First, effect curve windings investigated distributed parameter model DARs. Then, four sets eigenvalues were proposed for diagnosis influence law data theory....
Wang, L.; Li, C., and Yi, J., 2015. An experiment study on behavior of corrosion RC beams with different concrete strength.The flexural the corroded reinforced (RC) beam strengths under fatigue loading has not been truly well-understood. Twelve (section size 120×200; total length 1700 mm; clear span 1500 mm) (C20, C25, C30, C35) were tested specified monotonic load in this study. The tests aimed to evaluate mechanical failure patterns after loading. parameters evaluated experimental include...
Heterogeneous ice nucleation (HIN) is the dominant mode of formation, while its kinetic pathways remain poorly understood. The classical theory suggests a one-step pathway, that is, direct change from liquid water to (e.g. hexagonal ice), which has been widely accepted. In this work, however, through molecular dynamics simulations, we observe an intermediate state, square ice, at early stage certain surface energies. gives rise new nonclassical pathway for HIN: via ice. This multistep may...
Ice formation under a shear is common phenomenon in nature. Unfortunately, the role of rates affecting ice growth rate and underlying microscopic mechanisms are not well understood. In this work, we investigate flows through molecular dynamics simulations. Under sufficient supercooling, it found that varies nonlinearly as increased assumes maximum at an intermediate rate. This caused by two distinct effects on crystallization. On one hand, can help break hydrogen bond network (HBN) water...
Self-assembly of platinum(II) complex foldamers is an essential approach to fabricate advanced luminescent materials. However, a comprehensive understanding folding kinetics and their absorption spectra remains elusive. By constructing Markov state models (MSMs) from large-scale molecular dynamics simulations, we reveal that two largely similar dinuclear alknylplatinum(II) terpyridine foldamers, Pt-PEG Pt-PE with slightly different bridges, exhibit distinctive kinetics. Particularly, bears...
In this work, we propose a nanofluidic diode for simple fluids using non-uniform nanochannels. Molecular dynamics simulations show that the fluidic allows water flows in forward direction and blocks backward wide range of pressure drops. The unidirectional are owing to distinct activation pressures different directions. (converging) direction, is small because relatively low capillary coalescence at exit. high due infiltration pressure. drop can be varied by modifying surface wettability,...
Heterogeneous ice nucleation (HIN) can occur with the help of foreign particles or an external gas flow and is ubiquitous in nature. However, molecular features surface that trigger remain largely elusive. Silver iodide (AgI), being one most commonly known nucleating agents (INAs), provides a model system to investigate kinetics HIN. In this study, we use extensive all-atom dynamics simulations elucidate two important promote on AgI surface: lattice match between its parallel plane atomic...
Using the chemical vapour deposition method, we successfully converted smooth ZnO nanorods (NRs) into corrugated NRs by simply increasing reaction time. The surface morphology and crystallographic structure of were investigated. decorated alternant planes at exposed side surfaces while conventional disappeared. No twinning boundaries found in periodically structures, indicating that they type II NRs. Further investigation told us selectively etched. We introduced a hydrothermal method to...
A coma-free superhigh spectral resolution optical spectrometer was successfully designed and constructed for practical application.
Dissolution of CO$_2$ in water followed by the subsequent hydrolysis reactions is great importance to global carbon cycle, and capture storage. Despite enormous previous studies, are still not fully understood at atomistic scale. Here, we combined ab initio molecular dynamics simulations with Markov state models elucidate reaction mechanisms kinetics supercritical both bulk nanoconfined states. The integration unsupervised learning first-principles data allows us identify complex coordinates...