A5100761355- Clay minerals and soil interactions
- Soil and Unsaturated Flow
- Iron oxide chemistry and applications
- Radioactive element chemistry and processing
- Spectroscopy and Quantum Chemical Studies
- Environmental Impact and Sustainability
- Arsenic contamination and mitigation
- Calcium Carbonate Crystallization and Inhibition
- Energy, Environment, Economic Growth
- Electrostatics and Colloid Interactions
- Educational Reforms and Innovations
- Crystallization and Solubility Studies
- Geochemistry and Elemental Analysis
- Hydrogen Storage and Materials
- Atomic and Subatomic Physics Research
- Polymer Nanocomposites and Properties
- X-ray Diffraction in Crystallography
- Water Quality Monitoring and Analysis
- Vehicle emissions and performance
- Evaluation Methods in Various Fields
- Atmospheric and Environmental Gas Dynamics
- Combustion and Detonation Processes
- Chemical and Physical Properties in Aqueous Solutions
- High-Velocity Impact and Material Behavior
- Stability and Control of Uncertain Systems
Nanjing University
2017-2024
Hangzhou Xixi hospital
2024
Harbin Institute of Technology
2019-2024
Agricultural Genomics Institute at Shenzhen
2024
Chinese Academy of Agricultural Sciences
2024
Ministry of Agriculture and Rural Affairs
2024
Pennsylvania State University
2024
South China University of Technology
2024
Zhejiang University
2024
State Key Laboratory of Oil and Gas Reservoir Geology and Exploitation
2021
Transportation is an important source of carbon emissions in China. Reduction the transportation sector plays a key role success China’s energy conservation and reduction. This paper, for first time, analyzes drivers from 2000 to 2015 using Generalized Divisia Index Method (GDIM). Based on this analysis, we use improved Tapio model estimate decoupling elasticity between development industry emissions. The results show that: (1) added value transportation, consumption per capita have always...
The power industry is the with most direct uses of fossil fuels in China and one China’s main carbon industries. A comprehensive accurate analysis impacts emissions by can reveal potential for reductions to achieve reduction targets. contribution this paper use a Generalized Divisia Index Model first time factorize change from 2000 2015, gives full consideration influence economy, population, energy consumption on emissions. At same time, Monte Carlo method used predict 2017 2030 under three...
ReaxFF reactive force field bridges the gap between nonreactive molecular simulations and quantum mechanical calculations has been widely applied during past two decades. However, its application to earth materials, especially those under high T-P conditions relevant Earth’s interior, is still limited due lack of available parameters. Here, we present development validation a containing several most common elements in crust, i.e., Si/Al/O/H/Na/K. The was trained against large data set...
The discrete element method (DEM) is becoming widely accepted as an effective for addressing tectonic problems in granular materials. It capable of reproducing structures observed the analog model (AM). However, previous experiments also pointed to variability among DEM models and AMs number fault zones, their dip angle spacing, evolution surface slope a thrust wedge. accuracy depends on input parameter values, so calibration very important. Microscopic properties particles macroscopic loose...
Iron hydroxides are ubiquitous in soils and aquifers have been adopted as adsorbents for As(V) removal. However, the complexation mechanisms of not well understood due to lack information on reactive sites acidities iron hydroxides. In this work, we first calculated acidity constants (pKas) surface groups lepidocrocite (010), (001), (100) surfaces by using first-principles molecular dynamics (FPMD)-based vertical energy gap method. Then, desorption free energies goethite (110) (001) were...
The transport of sulfate-bearing brines is closely relevant to mineralization sulfide deposits as metal-sulfate complexes exist in hydrothermal fluids. Liquid-liquid phase separation evidently occurs various systems with and precipitating different from homogeneous Previous studies have revealed a new species Raman peak at ~1020 cm-1 rich concentration liquid-liquid separated MgSO4 solution, it was interpreted chain structure polymers. Ab initio molecular dynamics simulations (AIMD)...
This study reveals a charging mechanism at oxide-water interfaces, solving the puzzle that challenges traditional electrical double layer (EDL) model. We found experimentally measured zeta potential is caused by physically adsorbed OH
To mitigate global warming, the Chinese government has successively set carbon intensity targets for 2020 and 2030. Energy restructuring is critical achieving these targets. In this paper, a combined forecasting model utilized to predict primary energy consumption in China. Subsequently, Markov non-linear programming are used forecast China’s structure 2030 three scenarios. Carbon intensities were forecasted by combining consumption, economic forecasting. Finally, paper analyzes contribution...
Abstract In this paper, we report a first-principles Molecular Dynamics (FPMD) study of interfacial structures and acidity constants goethite. The pKa values the groups on (010), (110), (021) surfaces (space group Pbnm) are derived with FPMD based vertical energy gap technique. results indicate that major reactive include ≡Fe2OH2 ≡FeOH2 ≡FeOH2, ≡Fe3OLH, ≡Fe3OUH ≡FeOhH2 ≡Fe2OH (021). were characterized in detail focus hydrogen bonding environment. With calculated values, point zero charges...
We report a first principles molecular dynamics (FPMD) study of carboxylate complexation on clay surfaces.
The adsorption of cetyltrimethylammonium bromide (CTA+Br-) on sapphire-c surfaces was studied at pH 10 below the surfactants' critical micelle concentration. evolution interfacial potentials as a function CTAB concentration characterized by surface and zeta potential measurements complemented molecular dynamic (MD) simulations well second-harmonic (SHG) vibrational sum-frequency generation (SFG) spectroscopy. changes in suggest that negative charge due to deprotonated aluminols groups is...
Abstract Crop pests have profoundly deleterious effects on crop yield and food security. However, conventional pest control depends heavily the utilization of insecticides, which develops strong pesticide resistance concerns safety. their wild relatives display diverse levels resistance, indicating feasibility for breeding pest-resistant varieties. In this study, we integrate deep learning (DL)/machine (ML) algorithms, plant phenomics whole genome sequencing (WGS) data to conduct genomic...