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Jiantao Qin

Nuclear Power Institute of China (NPIC)

SCHOLARLY PAPERS

4

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200

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Scholarly Papers (4)

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1.

Unveiling the Feature of Deposition of Oxygen and Water Molecules on the Zirconium Surface: A Molecular Dynamic Study

Number of pages: 34 Posted: 13 Jan 2024
Rongjian Pan, Tianyuan Xin, Jiantao Qin, Lu Wu and Y.M. Ovcharenko
Nuclear Power Institute of China (NPIC), Nuclear Power Institute of China (NPIC), Nuclear Power Institute of China (NPIC), Nuclear Power Institute of China (NPIC) and Nuclear Power Institute of China (NPIC)
Downloads 61 (951,658)

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Molecular dynamics, Zirconium oxidation, Deposition, Absorption, mechanical properties

2.

Unraveling the Characteristics of Adsorption and Diffusion of Oxygen Atoms on the Surface of Zr and Zro2 Crystals with Point Defects from Molecular Dynamic Simulations

Downloads 54 (1,020,567)

Unraveling the Characteristics of Adsorption and Diffusion of Oxygen Atoms on the Surface of Zr and Zro2 Crystals with Point Defects from Molecular Dynamic Simulations

Number of pages: 30 Posted: 12 Jan 2024
Rongjian Pan, Jiantao Qin, Tianyuan Xin, Qingqing Wang, Cong Ma, Xiang Gang Kong, Min Zhao, Lu Wu and Y.M. Ovcharenko
Nuclear Power Institute of China (NPIC), Nuclear Power Institute of China (NPIC), Nuclear Power Institute of China (NPIC), Nuclear Power Institute of China (NPIC), affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, Nuclear Power Institute of China (NPIC) and Nuclear Power Institute of China (NPIC)
Downloads 35 (1,281,607)

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molecular dynamics, Zirconium oxide, Point defects, Adsorption, Diffusion, Surface

Unraveling the Characteristics of Adsorption and Diffusion of Oxygen Atoms on the Surface of Zr and Zro2 Crystals with Point Defects from Molecular Dynamic Simulations

Number of pages: 30 Posted: 22 Dec 2023
Rongjian Pan, Jiantao Qin, Tianyuan Xin, Qingqing Wang, Cong Ma, Xiang Gang Kong, Min Zhao, Lu Wu and Y.M. Ovcharenko
Nuclear Power Institute of China (NPIC), Nuclear Power Institute of China (NPIC), Nuclear Power Institute of China (NPIC), Nuclear Power Institute of China (NPIC), affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, Nuclear Power Institute of China (NPIC) and Nuclear Power Institute of China (NPIC)
Downloads 19 (1,513,226)

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Molecular dynamics, Zirconium oxide, Point defects, Adsorption, Diffusion, Surface

3.

Unraveling the Adsorption and Diffusion Behavior of H and O Atoms at Zr(0001) Surface Doped with a Nb/Sn Atom: A First-Principles Study

Number of pages: 23 Posted: 02 Oct 2024
Rongjian Pan, Aitao Tang, Jiantao Qin, Qingqing Wang and Lu Wu
Nuclear Power Institute of China (NPIC), Chongqing University, Nuclear Power Institute of China (NPIC), Nuclear Power Institute of China (NPIC) and Nuclear Power Institute of China (NPIC)
Downloads 43 (1,145,425)

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zirconium, Surface, adsorption, Diffusion, First-principles calculations

4.

Peculiarities of Interaction between Oxygen and Solute/Vacancy in Commercial-Type Zirconium-Based Alloys: A First-Principles Study

Number of pages: 21 Posted: 28 Oct 2023
Rongjian Pan, Vasyl O. Kharchenko, Dmitrii O. Kharchenko, Tianyuan Xin, Jiantao Qin and Lu Wu
Nuclear Power Institute of China (NPIC), National Academy of Sciences of Ukraine, National Academy of Sciences of Ukraine, Nuclear Power Institute of China (NPIC), Nuclear Power Institute of China (NPIC) and Nuclear Power Institute of China (NPIC)
Downloads 42 (1,157,785)

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ab-initio calculations, zirconium alloys, corrosion rate, solute-oxygen binding