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Nitrogen isotope fractionations among gaseous and aqueous NH4+ NH3, N-2, and metal-ammine complexes: Theoretical calculations and applications 期刊论文
GEOCHIMICA ET COSMOCHIMICA ACTA, 2021, 卷号: 295, 页码: 80-97
Authors:  Li, Long;  He YY(何雨旸);  Zhang, Zhe;  Liu, Yun
Adobe PDF(870Kb)  |  Favorite  |  View/Download：274/89  |  Submit date：2021/03/30
Nitrogen isotope fractionation  Ammonium  Metal-ammine complex  Ammonia degassing  Hydrothermal fluid  
Predicting nitrogen and oxygen kinetic isotope effects of nitrate reduction by periplasmic dissimilatory nitrate reductase 期刊论文
GEOCHIMICA ET COSMOCHIMICA ACTA, 2021, 卷号: 293, 页码: 224-239
Authors:  He YY(何雨旸);  Zhang, Yining;  Zhang, Siting;  Liu, Yun
Adobe PDF(1099Kb)  |  Favorite  |  View/Download：342/103  |  Submit date：2021/03/03
Transition state theory  Density functional theory  Cutoff model  Solvent effect  Molybdenum enzyme  
A COMPUTATIONAL MODEL FOR SPINNING EFFECTS ON POST-COLLISION VELOCITIES OF BOUNCING DROPLETS 期刊论文
ATOMIZATION AND SPRAYS, 2021, 卷号: 31, 期号: 10, 页码: 43-61
Authors:  He CM(何成明);  Yue LJ(岳连捷);  Zhang, Peng
Adobe PDF(4416Kb)  |  Favorite  |  View/Download：196/45  |  Submit date：2021/11/01
spinning droplets  droplet bouncing  post-collision characteristics  angular momentum  volume-of-fluid  
A phase-field model of thermo-elastic coupled brittle fracture with explicit time integration 期刊论文
COMPUTATIONAL MECHANICS, 2020, 页码: 17
Authors:  Wang T;  Y YX(Y叶璇);  Liu ZL;  Liu XM(刘小明);  Chu DY;  Zhuang Z
View  |  Adobe PDF(2156Kb)  |  Favorite  |  View/Download：826/462  |  Submit date：2020/04/07
Phase-field model  Explicit time integration  Abaqus VUEL  Multi-field coupling  Thermal shock