Development of a reactive force field for the Fe-C interaction to investigate the carburization of iron.

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Development of a reactive force field for the Fe-C interaction to investigate the carburization of iron.

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2017 nî lūn-bûn

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2017年の論文

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2017年学术文章

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2017年学术文章

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2017年学术文章

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2017年学术文章

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2017年学术文章

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2017年学术文章

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2017年學術文章

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2017年學術文章

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Development of a reactive forc ...... ate the carburization of iron.

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Development of a reactive forc ...... ate the carburization of iron.

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Development of a reactive forc ...... ate the carburization of iron.

@en

Development of a reactive forc ...... ate the carburization of iron.

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Development of a reactive forc ...... ate the carburization of iron.

@en

Development of a reactive forc ...... ate the carburization of iron.

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P1476

Development of a reactive forc ...... ate the carburization of iron.

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P2093

Chun-Fang Huo

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Kuan Lu

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Wen-Ping Guo

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Xiao-Dong Wen

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Xing-Wu Liu

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Yong Yang

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Yong-Wang Li

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Yuwei Zhou

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P2860

The Compressibility of Media under Extreme Pressures

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Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set

Projector augmented-wave method

Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set

ReaxFF: A Reactive Force Field for Hydrocarbons

Modulating the phases of iron carbide nanoparticles: from a perspective of interfering with the carbon penetration of Fe@Fe3O4 by selectively adsorbed halide ions

The pseudopotential approximation in electronic structure theory.

Interactions of hydrogen with the iron and iron carbide interfaces: a ReaxFF molecular dynamics study.

Simulation of the Elastic and Ultimate Tensile Properties of Diamond, Graphene, Carbon Nanotubes, and Amorphous Carbon Using a Revised ReaxFF Parametrization.

P304

775-783

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P31

scholarly article

P356

10.1039/C7CP05958B

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P407

English

P433

http://www.w3.org/2001/XMLSchema#string

P478

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P50

Qing Peng

P577

2017-11-27T00:00:00Z

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P698

29177358

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