Researching | Investigation of interaction between α-Fe metal and H atom by ab-initio method

Acta Physica Sinica, Volume. 69, Issue 5, 053101-1(2020)

Investigation of interaction between α-Fe metal and H atom by ab-initio method

Ying-Jin Cheng^1、*, Chao-Fei Yang¹, Gang Xue¹, Tao Wang¹, Lei Zhang², and Mei-E Li²

Author Affiliations

¹Luoyang Ship Material Research Institute, Luoyang 471023, China

²State Key Laboratory for Mechanical Behavior of Materials, Xi’an Jiaotong University, Xi’an 710049, China

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References(31)

[1] Zhang W Y[J]. Welding Metallurgy Fundamental Principle, 241-244(2012).

[2] Zhang J Q[J]. Ph.D Dissertation(2015).

[3] Tateyama Y, Ohno T[J]. ISIJ Internation, 43, 573(2003).

[4] Geng W T, Wan L, Du J P, Ogata S[J]. Scripta Materialia, 134, 105(2017).

[5] MonasterioP R, Lau T T, Yip S, van Vliet K J[J]. Phys. Rev. Lett., 103, 085501(2009).

[6] Nagumo M, Nakamura M, Taika K[J]. Metall. Mater. Trans. A, 32, 339(2001).

[7] Först C J, Slycke J, van Vliet K J, Yip S[J]. Phys. Rev. Lett., 96, 175501(2006).

[8] Fukai Y[J]. Jpn. J. Appl. Phys., 22, 207(1983).

[9] ZhangF C, Li C F, Wen P, Luo Q, Ran Z L[J]. Acta Phys. Sin., 63, 227101(2014).

[10] Du Y A, Ismer L, Rogal J, Hickel T, Neugebauer J, Drautz R[J]. Phys. Rev. B, 84, 144121(2011).

[11] Nazarov R, Hickel T, Neugebauer J[J]. Phys. Rev. B, 89, 144108(2014).

[12] Nazarov R, Hickel T, Neugebauer J[J]. Phys. Rev. B, 85, 144118(2012).

[13] Hickel T, Grabowski B, Körmann F, Neugebauer J[J]. J. Phys. Condens. Mater., 24, 053202(2011).

[14] Ramasubramaniam A, Itakura M, Carter EA[J]. Phys. Rev. B, 79, 174101(2009).

[15] Payne M C, Teter M P, Allan D C, Arias T A, Joannopoulos J D[J]. Rev. Mod. Phys., 64, 1045(1992).

[16] Milman V, Winkler B, White JA, Pickard C J, Payne M C, Akhmataskaya E V, Nobes R H[J]. Int. J. Quantum Chem., 77, 895(2000).

[17] Perdew JP, Burke K, Ernzerhof M[J]. Phys. Rev. Lett., 77, 3865(1996).

[18] Methfessel M, Paxton A T[J]. Phys. Rev. B, 40, 3616(1989).

[19] Acet M, Zähres H, Wassermann E F, Pepperhoff W[J]. Phys. Rev. B, 49, 6012(1994).

[20] Hayward E, Fu C C[J]. Phys. Rev. B, 87, 174103(2013).

[21] Baroni S, de Gironcoli S, Dal Corso A C, Giannozzi P[J]. Rev. Mod. Phys., 73, 515(2001).

[22] Bozzolo G, Ferrante J[J]. Phys. Rev. B, 46, 8600(1992).

[23] Bhatia M A, Groh S, Solanki K N[J]. J. Appl. Phys., 116, 064302(2014).

[24] Tateyama Y, Ohno T[J]. Phys. Rev. B, 67, 174105(2003).

[25] Mclellan R B, Harkins C G[J]. Mater. Sci. Eng., 18, 5(1975).

[26] Lynch SP[J]. Metall. Mater. Trans. A, 44, 1209(2013).

[27] Lu G, Kaxiras E[J]. Phys. Rev. Lett., 94, 155501(2005).

[28] Ismer L, Hickel T, Neugebauer J[J]. Phys. Rev. B, 81, 094111(2010).

[29] Korzhavyi P A, Abrikosov I A, Johansson B, Ruban A V, Skriver H L[J]. Phys. Rev. B, 59, 11693(1999).

[30] Nazarov R, Hickel T, Neugebauer J[J]. Phys. Rev. B, 82, 224104(2010).

[31] Speight J G[J]. Lange’s Handbook of Chemistry 16th Ed., 1299-1309(2005).

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Ying-Jin Cheng, Chao-Fei Yang, Gang Xue, Tao Wang, Lei Zhang, Mei-E Li. Investigation of interaction between α-Fe metal and H atom by ab-initio method [J]. Acta Physica Sinica, 2020, 69(5): 053101-1

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Paper Information

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Received: Nov. 22, 2019

Accepted: --

Published Online: Nov. 18, 2020

The Author Email:

DOI:10.7498/aps.69.20191775

Topics

Nuclear physics

Particles and fields

Particle and nuclear astrophysics and cosmology