A comparative study of Cr7C3, Fe3C and Fe2B in cast iron both from ab initio calculations and experiments

Journal of Physics D: Applied Physics

Volumn 42, Issue 11, 2009, Pages

  Xiao, B ^a,b   Xing, J D ^a   Feng, J ^b   Zhou, C T ^a   Li, Y F ^a   Su, W ^a   Xie, X J ^a   Cheng, Y H ^a  

^a XI'AN JIAOTONG UNIVERSITY   (China)

^b KUNMING UNIVERSITY OF SCIENCE AND TECHNOLOGY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO CALCULATIONS; AVERAGE MAGNETIC MOMENTS; BULK MODULUS; COMPARATIVE STUDIES; FORMATION ENTHALPY; GROUND STATE PROPERTIES; HEAT OF FORMATION; MECHANICAL PERFORMANCE; MICRO-INDENTATION TESTS; SHEAR MODULUS; THEORETICAL PREDICTION; THREE PHASIS; YOUNG'S MODULUS;

ATOMS; CARBIDES; CAST IRON; DENSITY FUNCTIONAL THEORY; DOPING (ADDITIVES); ELASTIC MODULI; ELECTRONIC STRUCTURE; EXPERIMENTS; MAGNETIC MOMENTS; THERMOCHEMISTRY; TRANSITION METALS; WEAR RESISTANCE;

CHROMIUM;

EID: 70149103531     PISSN: 00223727     EISSN: 13616463     Source Type: Journal    
DOI: 10.1088/0022-3727/42/11/115415     Document Type: Article

References (58)

1. Moustafa I M, Moustafa M A and Nofal A A 2000 Mater. Lett. 42 371
2. Uhlenhaut D I, Kradolfer J, Püttgen W, Löffler J F and Uggowitzer P J 2006 Acta Mater. 54 2727
3. Guan Q, Jiang Q, Xu Z and He Z 1997 Mater. Sci. 32 6383
4. Wiengmoon A, Chairuangsri T, Brown A, Brydson R, Edmonds D V and Pearce J T H 2005 Acta Mater. 53 4143
5. Carpenter S D and Carpenter D 2003 Mater. Lett. 57 4456
6. Kayser F X 1996 Mater. Res. Bull. 31 635
7. Decaudin B, Mariadassou C D and Cizeron G 1995 J. Alloys Compounds 226 208
8. Salaita G N and Hoflund G B 1998 Appl. Surf. Sci. 134 194
9. Dudzinski W, Morniroll J P and Gantois M 1980 J. Mater. Sci. 15 1387
10. Christodoulou P and Calos N 2001 Mater. Sci. Eng. A 301 103
11. Uslu I, Comert H, Ipek M, Ozdemir O and Bindal C 2007 Mater. Des. 28 55
12. Wu W Z, Xing J D and Su J S 1997 Acta Metall. Sin. 33 1154
13. Hirota K, Mitani K, Yoshinaka M and Yamaguchi O 2005 Mater. Sci. Eng. A 399 154
14. Na W, Yu W, Tang B Y, Peng L M and Ding W J 2008 J. Phys. D: Appl. Phys. 41 195408
15. Liao X Y, Cao D B, Wang S G, Wang J G and Jiao H 2007 J. Mol. Catal. A: Chem. 269 169
16. Shein I R, Medvedeva N I and Ivanovskii A L 2006 Physica B 371 126
17. Voadlo L, Brodholt J, Dobson D P and Knight K S 2002 Earth Planet. Sci. Lett. 203 567
18. Xie J Y, Chen N X, Shen J, Teng L D and Seetharaman S 2005 Acta Mater. 53 2727
19. Music D, Kreissig U, Mertens R and Schneider J M 2004 Phys. Lett. A 326 473
20. Sterneland T, Xie J Y, Chen N X and Seetharaman S 2006 Scr. Mater. 54 1491
21. Xiao B, Xing J D, Ding S F and Su W 2008 Physica B 403 1723
22. Zhou C T, Xing J D, Xiao B, Feng J, Xie X J and Chen Y H 2008 Comput. Mater. Sci. 44 1056
23. Jae H J, In G K and Bhadeshia H 2009 Comput. Mater. Sci. 44 1319
24. Zhou C T, Xing J D, Xiao B, Feng J, Xie X J and Cheng Y H 2008 Comput. Mater. Sci. doi:10.1016/j.commatsci.2009.01.002
25. Xiao B, Feng J, Zhou C T, Xing J D, Xie X J and Cheng Y H 2008 Chem. Phys. Lett. 458 129
26. Mattsson A E, Schultz P A, Desjarlais M P, Mattsson T R and Leung K 2005 Modell. Simul. Mater. Sci. Eng. 13 R1
27. Milman V, Winkler B, White J A, Pickard C J, Payne M C and Nobes R H 2000 Quantum Chem. 77 895
28. Kohn W 1999 Rev. Mod. Phys. 71 01694
29. Segall M D, Lindan P J D, Probert M J, Pickard C J and Payne M C 2002 J. Phys.: Condens. Matter 14 2717
30. Monkhorst J and Pack J D 1976 Phys. Rev. Lett. 13 5188
31. Perdew J P, Burke K and Ernzerhof M 1996 Phys. Rev. Lett. 77 3865
32. Pulay P and Fogarasi G 1992 J. Chem. Phys. 96 2856
33. Pfrommer B, Gegien M, Cote S G and Louie C 1997 Comput. Phys. 131 133
34. Chen B, Penwell D, Nguyen J H and Kruger M B 2004 Solid State Commun. 129 573
35. Rouault M A, Herpin P and Fruchart M R 1970 Ann. Chim. 5 461
36. Batyrev I G, Alavi A and Finnis M W 2000 Phys. Rev. B 62 4698
37. Haglund J, Grimvall G and Jarborg T 1991 Phys. Rev. B 44 2914
38. Nikolussi M, Shang S L, Gressmann T, Leineweber A, Mittemeijer E J, Wang Y and Liu Z K 2008 Scr. Mater. 59 814
39. Shein I R, Medvedeva N I and Ivanovskii A L 2007 Phys. Status Solidi 244 1971
40. Shanker J, Kushwah S S and Sharma M P 1999 Physica B 271 158
41. Gaurav S, Sharma B S and Upadhyaya S C 2002 Physica B 322 328
42. Liu Z, Chen X R and Wang Y L 2006 Physica B 381 139
43. Liang Y C, Guo W L and Fang Z 2007 Acta Phys. Sin. 56 1188
44. Igor R S and Alexander L I 2008 J. Phys.: Condens. Matter 20 415218
45. Suklyun H and Fu C L 1999 Intermetallics 7 5
46. Chung D H and Buessem W R 1967 J. Appl. Phys. 38 2535
47. Chung D H and Buessem W R 1968 J. Appl. Phys. 39 2777
48. Zhi J, Wu E J, Zhao H, Xiang P, Xian F, Hao, Liu X J and Jian M 2007 Phys. Rev. B 76 054115
49. Gilman J J, Cumberland R W and Kaner R B 2006 Int. J. Refractory Metals Hard Mater. 24 1
50. Gao F M, He J L, Wu E D, Liu S M, Yu D L and Tian Y J 2003 Phys. Rev. Lett. 91 11237
51. Liang Y J and Che Y C 1993 Thermodynamical Data for Inorganic Compounds (Shenyang: NorthEastern University Press)
52. Xiao B, Xing J D, Feng J, Xie X J, Chen Y H, Li Y F and Su W 2008 Physica B 403 2273
53. Mulliken R S 1955 J. Chem. Phys. 23 1833
54. Xing J D, Gao Y M, Wang E Z and Bao C G 2002 Wear 252 755
55. Ching W Y, Mo S D, Ouyang L Z, Rulis P, Tanaka I and Yoshiya M 2006 J. Am. Ceram. Soc. 85 75
56. Cohen M L 1985 Phys. Rev. B 32 7988
57. Gao F M 2004 Phys. Rev. B 69 094113
58. Umemoto M, Liu Z G, Masuyama K and Tsuchiya K 2001 Scr. Mater. 45 391