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

Journals >Acta Physica Sinica >Volume 69 >Issue 5 >Page 053101-1 > Article

Acta Physica Sinica
Vol. 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

show less

DOI: 10.7498/aps.69.20191775 Cite this Article

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 Copy Citation Text

show less

References

[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).

Get PDF(in Chinese)

Figures&Tables (20)

References (31)

Copy Citation Text

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

Download Citation

Save the article for my favorites

Paper Information

Recommended Topics

Nuclear physics

Particles and fields

Particle and nuclear astrophysics and cosmology

Set citation alerts for the article

Please enter your email address