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Accelerating phase-field simulation of multi-component alloy solidification by shallow artificial neural network 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2025, 卷号: 248, 页码: 9
作者:  Gong, Tongzhao;  Hao, Weiye;  Fan, Weiqi;  Chen, Yun;  Chen, Xing-Qiu;  Li, Dianzhong
收藏  |  浏览/下载：2/0  |  提交时间：2025/04/27
Phase-field method  Machine learning  Solidification  Multi-component alloy  Calculation of phase diagram  
Accelerating phase-field simulation of multi-component alloy solidification by shallow artificial neural network 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2025, 卷号: 248, 页码: 9
作者:  Gong, Tongzhao;  Hao, Weiye;  Fan, Weiqi;  Chen, Yun;  Chen, Xing-Qiu;  Li, Dianzhong
收藏  |  浏览/下载：3/0  |  提交时间：2025/04/27
Phase-field method  Machine learning  Solidification  Multi-component alloy  Calculation of phase diagram  
Role of Co in formation of Ni-Ti clusters in maraging stainless steel 期刊论文
JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY, 2018, 卷号: 34, 期号: 9, 页码: 1671-1675
作者:  Tian Jialong;  Shahzad M Babar;  Wang Wei;  Yin Lichang;  Jiang Zhouhua;  Yang Ke
收藏  |  浏览/下载：153/0  |  提交时间：2021/02/26
AUGMENTED-WAVE METHOD  ATOM-PROBE  1ST-PRINCIPLES  ALLOYS  CR  Maraging stainless steels  Ni-Ti cluster  First-principles calculation  Three-dimensional atom probe  
Photocatalytic performance of TiO2 nanocrystals with/without oxygen defects 期刊论文
CHINESE JOURNAL OF CATALYSIS, 2018, 卷号: 39, 期号: 4, 页码: 867-875
作者:  Qi Kezhen;  Liu Shuyuan;  Qiu Meng
收藏  |  浏览/下载：144/0  |  提交时间：2021/02/02
AUGMENTED-WAVE METHOD  VISIBLE-LIGHT  CO2 REDUCTION  ANATASE TIO2  001 FACETS  NANOSHEETS  PHASE  WATER  ZNO  PHOTOLUMINESCENCE  TiO2  Defect  Optical property  Photocatalytic activity  Density functional theory calculation  
A general approach on the modelling of incubation in ferrite transformation using non-isothermal kinetics data for 22MnB5 steel 期刊论文
INTERNATIONAL JOURNAL OF MATERIALS RESEARCH, 2017, 卷号: 108, 期号: 6, 页码: 441-446
作者:  Chen, Xiangjun;  Rolfe, Bernard;  Abdollahpoor, Amir;  Xiao, Namin;  Li, Dianzhong;  Li, DZ (reprint author), Chinese Acad Sci, Inst Met Res, Shenyang Natl Lab Mat Sci, 72 Wenhua Rd, Shenyang 110016, Peoples R China.
收藏  |  浏览/下载：102/0  |  提交时间：2017/08/17
Incubation Time  Transformation Kinetics  22mnb5 Steel  Optimized Fitting Method  Generalized Calculation Method  
Intergranular corrosion behavior associated with delta-ferrite transformation of Ti-modified Super304H austenitic stainless steel 期刊论文
Corrosion Science, 2015, 卷号: 90, 页码: 347-358
作者:  G. S.;  Lu Bai, S. P.;  Li, D. Z.;  Li, Y. Y.
收藏  |  浏览/下载：133/0  |  提交时间：2015/05/08
Stainless Steel  Electrochemical Calculation  Sem  Tem  Intergranular  Corrosion  304-stainless-steel Dissolution Process  Potentiokinetic Reactivation  Method  Heat-resistant Steel  Sigma-phase  Cracking Susceptibility  Grain-size  Sensitization  Precipitation  Temperatures  Mechanism  
First-principles studies of hydrogen behavior interacting with oxygen-enriched nanostructured particles in the ODS steels 期刊论文
International Journal of Hydrogen Energy, 2014, 卷号: 39, 期号: 32, 页码: 18506-18519
作者:  W. W. Xing;  X. Q. Chen;  P. T. Liu;  X. Wang;  P. C. Zhang;  D. Z. Li;  Y. Y. Li
收藏  |  浏览/下载：115/0  |  提交时间：2015/01/14
Ods Steels  Nanocluster  Oxygen-vacancy  Hydrogen Cluster  First-principles Calculation  Dispersion-strengthened Steels  Enhanced Localized Plasticity  Brillouin-zone Integrations  Initio Molecular-dynamics  Total-energy  Calculations  Augmented-wave Method  Oxide Particles  Ferritic Alloys  Electronic-structure  Delayed-fracture  
Direct MP2 Molecular Dynamics Studies of H Atom Reaction with CD4 and CH4 期刊论文
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 2011, 卷号: 111, 期号: 15, 页码: 4433-4442
作者:  Lu, Peng;  Kuang, Xiao-Yu;  Li, Hui-Fang;  Wang, Huai-Qian
收藏  |  浏览/下载：106/0  |  提交时间：2021/02/02
barrier height  electronic structure method  direct classical trajectory calculation  MP2/cc-pVDZ  BOMD  
Direct MP2 Molecular Dynamics Studies of H Atom Reaction with CD4 and CH4 期刊论文
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 2011, 卷号: 111, 期号: 15, 页码: 4433-4442
作者:  Lu, Peng;  Kuang, Xiao-Yu;  Li, Hui-Fang;  Wang, Huai-Qian
收藏  |  浏览/下载：90/0  |  提交时间：2021/02/02
barrier height  electronic structure method  direct classical trajectory calculation  MP2/cc-pVDZ  BOMD  
Direct MP2 Molecular Dynamics Studies of H Atom Reaction with CD(4) and CH(4) 期刊论文
International Journal of Quantum Chemistry, 2011, 卷号: 111, 期号: 15, 页码: 4433-4442
作者:  P. Lu;  X. Y. Kuang;  H. F. Li;  H. Q. Wang
Adobe PDF(448Kb)  |  收藏  |  浏览/下载：101/0  |  提交时间：2012/04/13
Barrier Height  Electronic Structure Method  Direct Classical Trajectory  Calculation  Mp2/cc-pvdz  Bomd  Initio Classical Trajectories  Abstraction Reaction Dynamics  Potential-energy Surfaces  Hessian-based Integrators  Born-oppenheimer  Surface  Photodissociation  Acetaldehyde  Excitation  Hydrogen