SCOPUS 정보 검색 플랫폼

Physical Review B - Condensed Matter and Materials Physics

Volumn 84, Issue 17, 2011, Pages

First-principles simulations of thermodynamical and structural properties of liquid Al2O3 under pressure

(3) Verma, Ashok K a Modak, P a Karki, Bijaya B b

a BHABHA ATOMIC RESEARCH CENTRE (India)

b Louisiana State University (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 82455195016 PISSN: 10980121 EISSN: 1550235X Source Type: Journal
DOI: 10.1103/PhysRevB.84.174116 Document Type: Article

Times cited : (15)

References (38)

1
- 43049143066
- Interaction potentials for alumina and molecular dynamics simulations of amorphous and liquid alumina
- DOI 10.1063/1.2901171
- P. Vashishta, R. K. Kalia, A. Nakano, and J. P. Rino, J. Appl. Phys. JAPIAU 0021-8979 10.1063/1.2901171 103, 083504 (2008). (Pubitemid 351623526)
- (2008) Journal of Applied Physics , vol.103 , Issue.8 , pp. 083504
- Vashishta, P.¹ Kalia, R.K.² Nakano, A.³ Rino, J.P.⁴

2
- 0023480483
- GPRLAJ 0094-8276 10.1029/GL014i001p00037
- R. E. Cohen, Geophys. Res. Lett. GPRLAJ 0094-8276 10.1029/GL014i001p00037 14, 37 (1987).
- (1987) Geophys. Res. Lett. , vol.14 , pp. 37
- Cohen, R.E.¹

3
- 0000662818
- 1098-0121 10.1103/PhysRevB.57.10363
- W. Duan, R. M. Wentzcovitch, and K. T. Thomson, Phys. Rev. B 1098-0121 10.1103/PhysRevB.57.10363 57, 10363 (1997).
- (1997) Phys. Rev. B , vol.57 , pp. 10363
- Duan, W.¹ Wentzcovitch, R.M.² Thomson, K.T.³

4
- 0035204195
- High-pressure elastic properties of major materials of earth's mantle from first principles
- DOI 10.1029/2000RG000088
- B. B. Karki, L. Stixrude, and R. M. Wentzcovitch, Rev. Geophys. REGEEP 8755-1209 10.1029/2000RG000088 39, 507 (2001). (Pubitemid 33127875)
- (2001) Reviews of Geophysics , vol.39 , Issue.4 , pp. 507-534
- Karki, B.B.¹ Stixrude, L.² Wentzcovitch, R.M.³

5
- 23344432610
- The high-pressure phase of alumina and implications for Earth's D″ layer
- DOI 10.1073/pnas.0501800102
- A. R. Oganov and S. Ono, Proc. Natl. Acad. Sci. USA 0027-8424 10.1073/pnas.0501800102 102, 10828 (2005). (Pubitemid 41105951)
- (2005) Proceedings of the National Academy of Sciences of the United States of America , vol.102 , Issue.31 , pp. 10828-10831
- Oganov, A.R.¹ Ono, S.²

6
- 0000033050
- JPCBFK 1520-6106 10.1021/jp983529f
- M. Hemmati, M. Wilson, and P. A. Madden, J. Phys. Chem. B JPCBFK 1520-6106 10.1021/jp983529f 103, 4023 (1999).
- (1999) J. Phys. Chem. B , vol.103 , pp. 4023
- Hemmati, M.¹ Wilson, M.² Madden, P.A.³

7
- 0038396451
- PLEEE8 1539-3755 10.1103/PhysRevE.61.2723
- G. Gutierrez, A. B. Belonoshko, R. Ahuja, and B. Johansson, Phys. Rev. E PLEEE8 1539-3755 10.1103/PhysRevE.61.2723 61, 2723 (2000).
- (2000) Phys. Rev. e , vol.61 , pp. 2723
- Gutierrez, G.¹ Belonoshko, A.B.² Ahuja, R.³ Johansson, B.⁴

8
- 42749106193
- 3
- DOI 10.1103/PhysRevB.70.134204, 134204
- V. V. Hoang, Phys. Rev. B PLRBAQ 1098-0121 10.1103/PhysRevB.70.134204 70, 134204 (2004). (Pubitemid 40021833)
- (2004) Physical Review B - Condensed Matter and Materials Physics , vol.70 , Issue.13 , pp. 1342041-13420410
- Van Hoang, V.¹

9
- 63749119150
- 0965-0393 10.1088/0965-0393/17/2/025003
- P. K. Hung, N. T. Nhan, and L. T. Vinh, Modell. Simul. Mater. Sci. Eng. 0965-0393 10.1088/0965-0393/17/2/025003 17, 025003 (2009).
- (2009) Modell. Simul. Mater. Sci. Eng. , vol.17 , pp. 025003
- Hung, P.K.¹ Nhan, N.T.² Vinh, L.T.³

10
- 34548588625
- Structure and dynamics in liquid alumina: Simulations with an ab initio interaction potential
- DOI 10.1016/j.jnoncrysol.2007.05.104, PII S0022309307006060, Liquid and Amorphous Metals XII Proceedings of the 12th International Conference on Liquid and Amorphous Metals
- S. Jahn and P. A. Madden, J. Non-Cryst. Solids JNCSBJ 0022-3093 10.1016/j.jnoncrysol.2007.05.104 353, 3500 (2007). (Pubitemid 47390809)
- (2007) Journal of Non-Crystalline Solids , vol.353 , Issue.32-40 , pp. 3500-3504
- Jahn, S.¹ Madden, P.A.²

11
- 0000888318
- PRLTAO 0031-9007 10.1103/PhysRevLett.78.464
- S. Ansell, S. Krishnan, J. K. R. Weber, J. R. Felten, P. C. Nordine, M. A. Beno, D. L. Price, and M.-L. Saboungi, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.78.464 78, 464 (1997).
- (1997) Phys. Rev. Lett. , vol.78 , pp. 464
- Ansell, S.¹ Krishnan, S.² Weber, J.K.R.³ Felten, J.R.⁴ Nordine, P.C.⁵ Beno, M.A.⁶ Price, D.L.⁷ Saboungi, M.-L.⁸

12
- 19244375471
- Liquid alumina: Detailed atomic coordination determined from neutron diffraction data using empirical potential structure refinement
- DOI 10.1103/PhysRevLett.86.4839
- C. Landron, L. Hennet, T. E. Jenkins, G. N. Creaves, J. P. Coutures, and A. K. Soper, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.86.4839 86, 4839 (2001). (Pubitemid 32505519)
- (2001) Physical Review Letters , vol.86 , Issue.21 , pp. 4839-4842
- Landron, C.¹ Hennet, L.² Jenkins, T.E.³ Greaves, G.N.⁴ Coutures, J.P.⁵ Soper, A.K.⁶

13
- 21844509015
- Y. Waseda, K. Sugiyama, J. M. Toguri, and Z. Naturforsch., A. Phys. Sci. 50, 770 (1995).
- (1995) A. Phys. Sci. , vol.50 , pp. 770
- Waseda, Y.¹ Sugiyama, K.² Toguri, J.M.³ Naturforsch, Z.⁴

14
- 0000375560
- J. P. Coutures, D. Massiot, C. Bessada, P. Echegut, J. C. Rifflet, and F. Taulelle, C. R. Acad. Sci. 310, 1041 (1990).
- (1990) C. R. Acad. Sci. , vol.310 , pp. 1041
- Coutures, J.P.¹ Massiot, D.² Bessada, C.³ Echegut, P.⁴ Rifflet, J.C.⁵ Taulelle, F.⁶

15
- 0344790352
- D. Massiot, F. Taulelle, and J. P. Coutures, Colloq. Phys. C5, 425 (1990).
- (1990) Colloq. Phys. , vol.5 , pp. 425
- Massiot, D.¹ Taulelle, F.² Coutures, J.P.³

16
- 0041523868
- Possible thermal and chemical stabilization of body-centered-cubic iron in the Earth's core
- DOI 10.1038/nature01829
- L. Vocadlo, D. Alfe, M. J. Gillan, I. G. Wood, J. P. Brodholt, and G. D. Price, Nature 0028-0836 10.1038/nature01829 424, 536 (2003). (Pubitemid 36975772)
- (2003) Nature , vol.424 , Issue.6948 , pp. 536-539
- Vocadlo, L.¹ Alfe, D.² Gillan, M.J.³ Wood, I.G.⁴ Brodholt, J.P.⁵ Price, G.D.⁶

17
- 0346846617
- PRLTAO 0031-9007 10.1103/PhysRevLett.91.195501
- N. Jakse and A. Pasturel, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.91.195501 91, 195501 (2003).
- (2003) Phys. Rev. Lett. , vol.91 , pp. 195501
- Jakse, N.¹ Pasturel, A.²

18
- 26844580221
- 3 liquid in Earth's lower mantle
- DOI 10.1126/science.1116952
- L. Stixrude and B. B. Karki, Science 0036-8075 10.1126/science.1116952 301, 297 (2005). (Pubitemid 41457193)
- (2005) Science , vol.310 , Issue.5746 , pp. 297-299
- Stixrude, L.¹ Karki, B.²

19
- 34848838311
- PLRBAQ 1098-0121 10.1103/PhysRevB.76.104205
- B. B. Karki, D. Bhattarai, and L. Stixrude, Phys. Rev. B PLRBAQ 1098-0121 10.1103/PhysRevB.76.104205 76, 104205 (2007).
- (2007) Phys. Rev. B , vol.76 , pp. 104205
- Karki, B.B.¹ Bhattarai, D.² Stixrude, L.³

20
- 39749135419
- GCACAK 0016-7037 10.1016/j.gca.2007.12.019
- N. P. de Koker, L. Stixrude, and B. B. Karki, Geochim. Cosmochim. Acta GCACAK 0016-7037 10.1016/j.gca.2007.12.019 72, 1427 (2008).
- (2008) Geochim. Cosmochim. Acta , vol.72 , pp. 1427
- De Koker, N.P.¹ Stixrude, L.² Karki, B.B.³

21
- 0028763270
- 0953-8984 10.1088/0953-8984/6/40/015
- G. Kresse and J. Hafner, J. Phys.: Condens. Matter 0953-8984 10.1088/0953-8984/6/40/015 6, 8245 (1994).
- (1994) J. Phys.: Condens. Matter , vol.6 , pp. 8245
- Kresse, G.¹ Hafner, J.²

22
- 0030190741
- Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
- DOI 10.1016/0927-0256(96)00008-0, PII S0927025696000080
- G. Kresse and J. Furthmuller, Comput. Mater. Sci. CMMSEM 0927-0256 10.1016/0927-0256(96)00008-0 6, 15 (1996). (Pubitemid 126412269)
- (1996) Computational Materials Science , vol.6 , Issue.1 , pp. 15-50
- Kresse, G.¹ Furthmuller, J.²

23
- 25744460922
- 1098-0121 10.1103/PhysRevB.50.17953
- P. E. Blöchel, Phys. Rev. B 1098-0121 10.1103/PhysRevB.50.17953 50, 17953 (1994).
- (1994) Phys. Rev. B , vol.50 , pp. 17953
- Blöchel, P.E.¹

24
- 84943502952
- 10.1080/00268978400101201
- S. Nosè, Mol. Phys. 10.1080/00268978400101201 52, 255 (1989).
- (1989) Mol. Phys. , vol.52 , pp. 255
- Nosè, S.¹

25
- 36549102647
- JCPSA6 0021-9606 10.1063/1.457480
- H. Flyvege and H. G. Petersen, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.457480 91, 461 (1989).
- (1989) J. Chem. Phys. , vol.91 , pp. 461
- Flyvege, H.¹ Petersen, H.G.²

26
- 3042760027
- JAPNDE 0021-4922 10.1143/JJAP.43.1496
- P. Paradis, T. Ishikawa, Y. Saita, and S. Yoda, Jpn. J. Appl. Phys. JAPNDE 0021-4922 10.1143/JJAP.43.1496 43, 1496 (2004).
- (2004) Jpn. J. Appl. Phys. , vol.43 , pp. 1496
- Paradis, P.¹ Ishikawa, T.² Saita, Y.³ Yoda, S.⁴

27
- 0032594769
- IJTHDY 0195-928X 10.1023/A:1022650703233
- B. Glorieux, F. Millot, J. C. Rifflet, and J. P. Coutures, Int. J. Thermophys. IJTHDY 0195-928X 10.1023/A:1022650703233 20, 1085 (1999).
- (1999) Int. J. Thermophys. , vol.20 , pp. 1085
- Glorieux, B.¹ Millot, F.² Rifflet, J.C.³ Coutures, J.P.⁴

28
- 82455183011
- J.-P. Coutures, J.-C. Rifflet, P. Florian, and D. Massiot, Rev. Int. Hautes Temp. Refract. 29, 1085 (1994).
- (1994) Rev. Int. Hautes Temp. Refract. , vol.29 , pp. 1085
- Coutures, J.-P.¹ Rifflet, J.-C.² Florian, P.³ Massiot, D.⁴

29
- 82455223803
- E. E. Shpil'rain, K. A. Yakinovich, and F. Tsitsarkin, High Temp.-High Pressures 191, 2 (1973).
- (1973) High Temp.-High Pressures , vol.191 , pp. 2
- Shpil'Rain, E.E.¹ Yakinovich, K.A.² Tsitsarkin, F.³

30
- 0018005682
- High-pressure single-crystal structure determinations for ruby up to 90 kbar using an automatic diffractometer
- DOI 10.1063/1.325494
- H. d'Amour, D. Schiferi, W. Denner, H. Schulz, and W. B. Holzapfel, J. Appl. Phys. JAPIAU 0021-8979 10.1063/1.325494 49, 4411 (1978). (Pubitemid 8634878)
- (1978) Journal of Applied Physics , vol.49 , Issue.8 , pp. 4411-4416
- D'Amour, H.¹ Schiferl, D.² Denner, W.³ Schulz Heinz⁴ Holzapfel, W.B.⁵

31
- 0001081367
- 10.1007/BF00220687
- P. Richet, J. Xu, and H. Mao, Phys. Chem. Miner. 10.1007/BF00220687 16, 207 (1988).
- (1988) Phys. Chem. Miner. , vol.16 , pp. 207
- Richet, P.¹ Xu, J.² Mao, H.³

32
- 33746315228
- Transferable interaction model for Al2 O3
- DOI 10.1103/PhysRevB.74.024112
- S. Sandro, P. A. Madden, and M. Wilson, Phys. Rev. B PLRBAQ 1098-0121 10.1103/PhysRevB.74.024112 74, 024112 (2006). (Pubitemid 44107247)
- (2006) Physical Review B - Condensed Matter and Materials Physics , vol.74 , Issue.2 , pp. 024112
- Jahn, S.¹ Madden, P.A.² Wilson, M.³

33
- 0033494295
- 0342-1791 10.1007/s002690050246
- G. Fiquet, P. Richet, and G. Montagnac, Phys. Chem. Miner. 0342-1791 10.1007/s002690050246 27, 103 (1986).
- (1986) Phys. Chem. Miner. , vol.27 , pp. 103
- Fiquet, G.¹ Richet, P.² Montagnac, G.³

34
- 82455183009
- in edited by S. P. Marsh (University of California Press, Berkeley
- S. P. Marsh, in Minerals and Compounds, edited by, S. P. Marsh, (University of California Press, Berkeley, 1980), p. 260.
- (1980) Minerals and Compounds , pp. 260
- Marsh, S.P.¹

35
- 84942220831
- 0108-7673 10.1107/S0108767389012596
- A. Kirfel and K. Eichhorn, Acta Cryst. A 0108-7673 10.1107/ S0108767389012596 46, 271 (1990).
- (1990) Acta Cryst. A , vol.46 , pp. 271
- Kirfel, A.¹ Eichhorn, K.²

36
- 84977692714
- 0002-7820 10.1111/j.1151-2916.1966.tb13230.x
- E. Schreiber and O. L. Anderson, J. Am. Ceram. Soc. 0002-7820 10.1111/j.1151-2916.1966.tb13230.x 49, 184 (1966).
- (1966) J. Am. Ceram. Soc. , vol.49 , pp. 184
- Schreiber, E.¹ Anderson, O.L.²

37
- 0001160529
- JAPIAU 0021-8979 10.1063/1.349633
- E. S. Zouboulis and M. Grimditch, J. Appl. Phys. JAPIAU 0021-8979 10.1063/1.349633 70, 772 (1991).
- (1991) J. Appl. Phys. , vol.70 , pp. 772
- Zouboulis, E.S.¹ Grimditch, M.²

38
- 0000246023
- PLRBAQ 1098-0121 10.1103/PhysRevB.41.12197
- P. Vashishta, R. K. Kalia, J. P. Rino, and I. Ebbsjo, Phys. Rev. B PLRBAQ 1098-0121 10.1103/PhysRevB.41.12197 41, 12197 (1990).
- (1990) Phys. Rev. B , vol.41 , pp. 12197
- Vashishta, P.¹ Kalia, R.K.² Rino, J.P.³ Ebbsjo, I.⁴

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.