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金属/陶瓷界面断裂的微观机制研究 学位论文
博士论文,北京: 中国科学院大学, 2019
Authors:  付雪琼
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Metal/ceramic Interface, Interface Fracture, Molecular Simulation, Interface Strength, Misfit Dislocation  
肺表面活性剂的界面吸附及其生物效应研究 学位论文
博士论文,北京: 中国科学院大学, 2019
Authors:  白轩
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肺表面活性剂  磷脂  界面吸附  生物膜  生物分子冕  分子动力学模拟  
Hydrogen effects on mechanical property and microstructure of a Zr-based metallic glass composite 期刊论文
JOURNAL OF NON-CRYSTALLINE SOLIDS, 2019, 卷号: 520, 页码: 6
Authors:  Duan GH(段桂花);  Jiang MQ(蒋敏强);  Liu XF(刘兴发);  Dai LH(戴兰宏);  Li JX
View  |  Adobe PDF(2081Kb)  |  Favorite  |  View/Download:46/4  |  Submit date:2019/09/09
Metallic glass composite  Hydrogen embrittlement  Mechanical property  Stacking faults  
Active Species in Photocatalytic Reactions of Methanol on TiO2(110) Identified by Surface Sum Frequency Generation Vibrational Spectroscopy 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY C, 2019, 卷号: 123, 期号: 22, 页码: 13789-13794
Authors:  Peng XX;  Zhang RD;  Feng RR(冯冉冉);  Liu AA;  Zhou CY;  Guo Q;  Yang XM;  Jiang Y;  Ren ZF
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Hydrodynamic Properties of Polymers Screening the Electrokinetic Flow: Insights from a Computational Study 期刊论文
POLYMERS, 2019, 卷号: 11, 期号: 6, 页码: 13
Authors:  Wu P;  Sun T;  Jiang XK(蒋玺恺);  Kondrat S
View  |  Adobe PDF(858Kb)  |  Favorite  |  View/Download:17/0  |  Submit date:2019/09/09
polymeric coatings  Stokes radius  hydrodynamic shielding  molecular dynamics simulations  Navier-Stokes-Brinkman model  
聚合物-异质材料界面微纳尺度力学行为的分子动力学模拟研究 学位论文
硕士论文,北京: 中国科学院大学, 2019
Authors:  孟昶宇
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聚合物-异质材料界面  微观力学行为  分子动力学模拟  粗粒化  微结构演化  
Machine learning assisted design of high entropy alloys with desired property 期刊论文
ACTA MATERIALIA, 2019, 卷号: 170, 页码: 109-117
Authors:  Wen C;  Zhang Y;  Wang CX;  Xue DZ;  Bai Y;  Antonov S;  Dai LH(戴兰宏);  Lookman T;  Su YJ
View  |  Adobe PDF(4895Kb)  |  Favorite  |  View/Download:101/20  |  Submit date:2019/06/10
Multi-principal element alloys  Active learning  Machine learning  Materials genome initiative  
Temperature-dependent phase transformation of ice-1h under ultrafast uniaxial compression: A molecular dynamics simulation 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2019, 卷号: 162, 页码: 340-348
Authors:  Yin QY(殷秋运);  Hu LL;  Wu XQ(吴先前);  Xiao KL(肖凯璐);  Huang CG(黄晨光)
View  |  Adobe PDF(5581Kb)  |  Favorite  |  View/Download:52/2  |  Submit date:2019/05/29
Ice  Phase transformation  Dynamic behaviour  Molecular dynamics  
A facile synthesis of carbon-encapsulated ZnFe2O4 nanocrystals as anode for lithium-ion batteries 期刊论文
FUNCTIONAL MATERIALS LETTERS, 2019, 页码: 10.1142/S1793604719500292
Authors:  Liu BY;  Ke SY;  Zhang XQ;  Cai S;  Shao YF(邵颖峰);  Yu Q;  Yan SC
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Nanoindentation of thin graphdiyne films: Experiments and molecular dynamics simulation 期刊论文
CARBON, 2019, 卷号: 144, 页码: 72-80
Authors:  Xiao KL(肖凯璐);  Li JF;  Wu XQ(吴先前);  Liu HB;  Huang CG(黄晨光);  Li YL
View  |  Adobe PDF(3294Kb)  |  Favorite  |  View/Download:103/5  |  Submit date:2019/04/11