SCOPUS 정보 검색 플랫폼

Physical Review B - Condensed Matter and Materials Physics

Volumn 90, Issue 10, 2014, Pages

Accuracy and transferability of Gaussian approximation potential models for tungsten

(3) Szlachta, Wojciech J a Bartók, Albert P a Csányi, Gábor a

a UNIVERSITY OF CAMBRIDGE (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 84907478718 PISSN: 10980121 EISSN: 1550235X Source Type: Journal
DOI: 10.1103/PhysRevB.90.104108 Document Type: Article

Times cited : (351)

References (51)

1
- 0021463618
- PMAADG 0141-8610
- M. W. Finnis and J. E. Sinclair, Philos. Mag. A 50, 45 (1984). PMAADG 0141-8610 10.1080/01418618408244210
- (1984) Philos. Mag. A , vol.50 , pp. 45
- Finnis, M.W.¹ Sinclair, J.E.²

2
- 4244079381
- PRBMDO 0163-1829
- M. S. Daw and M. I. Baskes, Phys. Rev. B 29, 6443 (1984). PRBMDO 0163-1829 10.1103/PhysRevB.29.6443
- (1984) Phys. Rev. B , vol.29 , pp. 6443
- Daw, M.S.¹ Baskes, M.I.²

3
- 84950442759
- PMAADG 0141-8610
- G. J. Ackland and R. Thetford, Philos. Mag. A 56, 15 (1987). PMAADG 0141-8610 10.1080/01418618708204464
- (1987) Philos. Mag. A , vol.56 , pp. 15
- Ackland, G.J.¹ Thetford, R.²

4
- 84898889606
- PMLEEG 0950-0839
- A. P. Sutton and J. Chen, Philos. Mag. Lett. 61, 139 (1990). PMLEEG 0950-0839 10.1080/09500839008206493
- (1990) Philos. Mag. Lett. , vol.61 , pp. 139
- Sutton, A.P.¹ Chen, J.²

5
- 84891400289
- MSMEEU 0965-0393
- J. Wang, Y. L. Zhou, M. Li, and Q. Hou, Modell. Simul. Mater. Sci. Eng. 22, 015004 (2014). MSMEEU 0965-0393 10.1088/0965-0393/22/1/015004
- (2014) Modell. Simul. Mater. Sci. Eng. , vol.22 , pp. 015004
- Wang, J.¹ Zhou, Y.L.² Li, M.³ Hou, Q.⁴

6
- 84940492598
- EULEEJ 0295-5075
- F. Ercolessi and J. B. Adams, Europhys. Lett. 26, 583 (1994). EULEEJ 0295-5075 10.1209/0295-5075/26/8/005
- (1994) Europhys. Lett. , vol.26 , pp. 583
- Ercolessi, F.¹ Adams, J.B.²

7
- 33749125733
- PRBMDO 0163-1829
- M. I. Baskes, Phys. Rev. B 46, 2727 (1992). PRBMDO 0163-1829 10.1103/PhysRevB.46.2727
- (1992) Phys. Rev. B , vol.46 , pp. 2727
- Baskes, M.I.¹

8
- 0000595924
- JAPIAU 0021-8979
- Y. R. Wang and D. B. Boercker, J. Appl. Phys. 78, 122 (1995). JAPIAU 0021-8979 10.1063/1.360661
- (1995) J. Appl. Phys. , vol.78 , pp. 122
- Wang, Y.R.¹ Boercker, D.B.²

9
- 0035508920
- PRBMDO 0163-1829
- B.-J. Lee, M. I. Baskes, H. Kim, and Y. K. Cho, Phys. Rev. B 64, 184102 (2001). PRBMDO 0163-1829 10.1103/PhysRevB.64.184102
- (2001) Phys. Rev. B , vol.64 , pp. 184102
- Lee, B.-J.¹ Baskes, M.I.² Kim, H.³ Cho, Y.K.⁴

10
- 84884179368
- JCOMEL 0953-8984
- M.-C. Marinica, L. Ventelon, M. R. Gilbert, L. Proville, S. L. Dudarev, J. Marian, G. Bencteux, and F. Willaime, J. Phys.: Condens. Matter 25, 395502 (2013). JCOMEL 0953-8984 10.1088/0953-8984/25/39/395502
- (2013) J. Phys.: Condens. Matter , vol.25 , pp. 395502
- Marinica, M.-C.¹ Ventelon, L.² Gilbert, M.R.³ Proville, L.⁴ Dudarev, S.L.⁵ Marian, J.⁶ Bencteux, G.⁷ Willaime, F.⁸

11
- 34047235006
- PRBMDO 1098-0121
- M. Mrovec, R. Gröger, A. G. Bailey, D. Nguyen-Manh, C. Elsässer, and V. Vitek, Phys. Rev. B 75, 104119 (2007). PRBMDO 1098-0121 10.1103/PhysRevB.75.104119
- (2007) Phys. Rev. B , vol.75 , pp. 104119
- Mrovec, M.¹ Gröger, R.² Bailey, A.G.³ Nguyen-Manh, D.⁴ Elsässer, C.⁵ Vitek, V.⁶

12
- 76949090296
- JAPIAU 0021-8979
- T. Ahlgren, K. Heinola, N. Juslin, and A. Kuronen, J. Appl. Phys. 107, 033516 (2010). JAPIAU 0021-8979 10.1063/1.3298466
- (2010) J. Appl. Phys. , vol.107 , pp. 033516
- Ahlgren, T.¹ Heinola, K.² Juslin, N.³ Kuronen, A.⁴

13
- 78650306778
- JNUMAM 0022-3115
- X.-C. Li, X. Shu, Y.-N. Liu, F. Gao, and G.-H. Lu, J. Nucl. Mater. 408, 12 (2011). JNUMAM 0022-3115 10.1016/j.jnucmat.2010.10.020
- (2011) J. Nucl. Mater. , vol.408 , pp. 12
- Li, X.-C.¹ Shu, X.² Liu, Y.-N.³ Gao, F.⁴ Lu, G.-H.⁵

14
- 33744694446
- PRBMDO 0163-1829
- J. A. Moriarty, Phys. Rev. B 38, 3199 (1988). PRBMDO 0163-1829 10.1103/PhysRevB.38.3199
- (1988) Phys. Rev. B , vol.38 , pp. 3199
- Moriarty, J.A.¹

15
- 2842520225
- PRBMDO 0163-1829
- W. Xu and J. A. Moriarty, Phys. Rev. B 54, 6941 (1996). PRBMDO 0163-1829 10.1103/PhysRevB.54.6941
- (1996) Phys. Rev. B , vol.54 , pp. 6941
- Xu, W.¹ Moriarty, J.A.²

16
- 2142645128
- PRBMDO 1098-0121
- M. Mrovec, D. Nguyen-Manh, D. G. Pettifor, and V. Vitek, Phys. Rev. B 69, 094115 (2004). PRBMDO 1098-0121 10.1103/PhysRevB.69.094115
- (2004) Phys. Rev. B , vol.69 , pp. 094115
- Mrovec, M.¹ Nguyen-Manh, D.² Pettifor, D.G.³ Vitek, V.⁴

17
- 34247180403
- PHSTBO 0031-8949
- G. F. Matthews, P. Edwards, T. Hirai, M. Kear, A. Lioure, P. Lomas, A. Loving, C. Lungu, H. Maier, P. Mertens, Phys. Scr. 2007, 137 (2007). PHSTBO 0031-8949 10.1088/0031-8949/2007/T128/027
- (2007) Phys. Scr. , vol.2007 , pp. 137
- Matthews, G.F.¹ Edwards, P.² Hirai, T.³ Kear, M.⁴ Lioure, A.⁵ Lomas, P.⁶ Loving, A.⁷ Lungu, C.⁸ Maier, H.⁹ Mertens, P.¹⁰

18
- 36348999132
- PPCFET 0741-3335
- R. Neu, M. Balden, V. Bobkov, R. Dux, O. Gruber, A. Herrmann, A. Kallenbach, M. Kaufmann, C. F. Maggi, H. Maier, Plasma Phys. Controlled Fusion 49, B59 (2007). PPCFET 0741-3335 10.1088/0741-3335/49/12B/S04
- (2007) Plasma Phys. Controlled Fusion , vol.49 , pp. B59
- Neu, R.¹ Balden, M.² Bobkov, V.³ Dux, R.⁴ Gruber, O.⁵ Herrmann, A.⁶ Kallenbach, A.⁷ Kaufmann, M.⁸ Maggi, C.F.⁹ Maier, H.¹⁰

19
- 84885473714
- JNUMAM 0022-3115
- R. Pitts, S. Carpentier, F. Escourbiac, T. Hirai, V. Komarov, S. Lisgo, A. S. Kukushkin, A. Loarte, M. Merola, A. Sashala, J. Nucl. Mater. 438 (Suppl.), S48 (2013). JNUMAM 0022-3115 10.1016/j.jnucmat.2013.01.008
- (2013) J. Nucl. Mater. , vol.438 , pp. S48
- Pitts, R.¹ Carpentier, S.² Escourbiac, F.³ Hirai, T.⁴ Komarov, V.⁵ Lisgo, S.⁶ Kukushkin, A.S.⁷ Loarte, A.⁸ Merola, M.⁹ Sashala, A.¹⁰

20
- 63849327699
- RPPHAG 0034-4885
- N. Bernstein, J. R. Kermode, and G. Csányi, Rep. Prog. Phys. 72, 026501 (2009). RPPHAG 0034-4885 10.1088/0034-4885/72/2/026501
- (2009) Rep. Prog. Phys. , vol.72 , pp. 026501
- Bernstein, N.¹ Kermode, J.R.² Csányi, G.³

21
- 0031648312
- 1946-4274
- A. D. Vita and R. Car, MRS Bull. 491, 473 (1997). 1946-4274 10.1557/PROC-491-473
- (1997) MRS Bull. , vol.491 , pp. 473
- Vita, A.D.¹ Car, R.²

22
- 34047127421
- PRLTAO 0031-9007
- J. Behler and M. Parrinello, Phys. Rev. Lett. 98, 146401 (2007). PRLTAO 0031-9007 10.1103/PhysRevLett.98.146401
- (2007) Phys. Rev. Lett. , vol.98 , pp. 146401
- Behler, J.¹ Parrinello, M.²

23
- 43249123138
- PRLTAO 0031-9007
- J. Behler, R. Martoňák, D. Donadio, and M. Parrinello, Phys. Rev. Lett. 100, 185501 (2008). PRLTAO 0031-9007 10.1103/PhysRevLett.100.185501
- (2008) Phys. Rev. Lett. , vol.100 , pp. 185501
- Behler, J.¹ Martoňák, R.² Donadio, D.³ Parrinello, M.⁴

24
- 84856412489
- PRBMDO 1098-0121
- N. Artrith and J. Behler, Phys. Rev. B 85, 045439 (2012). PRBMDO 1098-0121 10.1103/PhysRevB.85.045439
- (2012) Phys. Rev. B , vol.85 , pp. 045439
- Artrith, N.¹ Behler, J.²

25
- 36449006558
- JCPSA6 0021-9606
- J. Ischtwan and M. A. Collins, J. Chem. Phys. 100, 8080 (1994). JCPSA6 0021-9606 10.1063/1.466801
- (1994) J. Chem. Phys. , vol.100 , pp. 8080
- Ischtwan, J.¹ Collins, M.A.²

26
- 0036882785
- TCACFW 1432-881X
- M. A. Collins, Theor. Chem. Acc. 108, 313 (2002). TCACFW 1432-881X 10.1007/s00214-002-0383-5
- (2002) Theor. Chem. Acc. , vol.108 , pp. 313
- Collins, M.A.¹

27
- 7044263203
- JPCAFH 1089-5639
- X. Zhang, S. Zou, L. B. Harding, and J. M. Bowman, J. Phys. Chem. A 108, 8980 (2004). JPCAFH 1089-5639 10.1021/jp048339l
- (2004) J. Phys. Chem. A , vol.108 , pp. 8980
- Zhang, X.¹ Zou, S.² Harding, L.B.³ Bowman, J.M.⁴

28
- 22944448994
- X. Huang, B. J. Braams, and J. M. Bowman, J. Chem. Phys. 122, 044308 (2005). 10.1063/1.1834500
- (2005) J. Chem. Phys. , vol.122 , pp. 044308
- Huang, X.¹ Braams, B.J.² Bowman, J.M.³

29
- 20544469622
- Z. Xie, B. J. Braams, and J. M. Bowman, J. Chem. Phys. 122, 224307 (2005). 10.1063/1.1927529
- (2005) J. Chem. Phys. , vol.122 , pp. 224307
- Xie, Z.¹ Braams, B.J.² Bowman, J.M.³

30
- 77950441864
- PRLTAO 0031-9007
- A. P. Bartók, M. C. Payne, R. Kondor, and G. Csányi, Phys. Rev. Lett. 104, 136403 (2010). PRLTAO 0031-9007 10.1103/PhysRevLett.104.136403
- (2010) Phys. Rev. Lett. , vol.104 , pp. 136403
- Bartók, A.P.¹ Payne, M.C.² Kondor, R.³ Csányi, G.⁴

31
- 84878571921
- PRBMDO 1098-0121
- A. P. Bartók, R. Kondor, and G. Csányi, Phys. Rev. B 87, 184115 (2013). PRBMDO 1098-0121 10.1103/PhysRevB.87.184115
- (2013) Phys. Rev. B , vol.87 , pp. 184115
- Bartók, A.P.¹ Kondor, R.² Csányi, G.³

32
- 84883157867
- PRBMDO 1098-0121
- A. P. Bartók, M. J. Gillan, F. R. Manby, and G. Csányi, Phys. Rev. B 88, 054104 (2013). PRBMDO 1098-0121 10.1103/PhysRevB.88.054104
- (2013) Phys. Rev. B , vol.88 , pp. 054104
- Bartók, A.P.¹ Gillan, M.J.² Manby, F.R.³ Csányi, G.⁴

33
- 84903362169
- M. J. Gillan, D. Alfè, A. P. Bartók, and G. Csányi, J. Chem. Phys. 139, 244504 (2013). 10.1063/1.4852182
- (2013) J. Chem. Phys. , vol.139 , pp. 244504
- Gillan, M.J.¹ Alfè, D.² Bartók, A.P.³ Csányi, G.⁴

34
- 84856512353
- PRLTAO 0031-9007
- M. Rupp, A. Tkatchenko, K.-R. Müller, and O. A. von Lilienfeld, Phys. Rev. Lett. 108, 058301 (2012). PRLTAO 0031-9007 10.1103/PhysRevLett.108.058301
- (2012) Phys. Rev. Lett. , vol.108 , pp. 058301
- Rupp, M.¹ Tkatchenko, A.² Müller, K.-R.³ Von Lilienfeld, O.A.⁴

35
- 0004272772
- Cambridge University Press, Cambridge
- D. MacKay, Information Theory, Inference and Learning Algorithms (Cambridge University Press, Cambridge, 2003).
- (2003) Information Theory, Inference and Learning Algorithms
- MacKay, D.¹

36
- 25444448065
- MIT Press, Cambridge, MA
- C. Rasmussen and C. Williams, Gaussian Processes for Machine Learning (MIT Press, Cambridge, MA, 2006).
- (2006) Gaussian Processes for Machine Learning
- Rasmussen, C.¹ Williams, C.²

37
- 20144380685
- ZEKRDZ 0044-2968
- S. J. Clark, M. D. Segall, C. J. Pickard, P. J. Hasnip, M. J. Probert, K. Refson, and M. C. Payne, Z. Krystallogr. 220, 567 (2005). ZEKRDZ 0044-2968 10.1524/zkri.220.5.567.65075
- (2005) Z. Krystallogr. , vol.220 , pp. 567
- Clark, S.J.¹ Segall, M.D.² Pickard, C.J.³ Hasnip, P.J.⁴ Probert, M.J.⁵ Refson, K.⁶ Payne, M.C.⁷

38
- 84864038646
- MIT Press, Cambridge, MA
- E. Snelson and Z. Ghahramani, in Advances in Neural Information Processing Systems (MIT Press, Cambridge, MA, 2006), Vol. 18, pp. 1257-1264.
- (2006) Advances in Neural Information Processing Systems , vol.18 , pp. 1257-1264
- Snelson, E.¹ Ghahramani, Z.²

39
- 84907459733
- Ph.D. thesis, University of Cambridge.
- A. P. Bartók, Ph.D. thesis, University of Cambridge, 2010.
- (2010)
- Bartók, A.P.¹

40
- 84907459732
- Ph.D. thesis, University of Cambridge.
- W. J. Szlachta, Ph.D. thesis, University of Cambridge, 2013.
- (2013)
- Szlachta, W.J.¹

41
- 84907459731
- See Supplemental Material at for convergence of (Equation presented) model as a function of parameters of the underlying covariance function.
- See Supplemental Material at http://link.aps.org/supplemental/10.1103/PhysRevB.90.104108 for convergence of (Equation presented) model as a function of parameters of the underlying covariance function.

42
- 84996193730
- PHMAA4 0031-8086
- V. Vitek and F. Kroupa, Philos. Mag. 19, 265 (1969). PHMAA4 0031-8086 10.1080/14786436908217784
- (1969) Philos. Mag. , vol.19 , pp. 265
- Vitek, V.¹ Kroupa, F.²

43
- 84867833039
- PHMAA4 0031-8086
- V. Vitek, R. C. Perrin, and D. K. Bowen, Philos. Mag. 21, 1049 (1970). PHMAA4 0031-8086 10.1080/14786437008238490
- (1970) Philos. Mag. , vol.21 , pp. 1049
- Vitek, V.¹ Perrin, R.C.² Bowen, D.K.³

44
- 0842283274
- 1478-6435
- V. Vitek, Philos. Mag. 84, 415 (2004). 1478-6435 10.1080/14786430310001611644
- (2004) Philos. Mag. , vol.84 , pp. 415
- Vitek, V.¹

45
- 0036696910
- PRBMDO 0163-1829
- W. E, W. Ren, and E. Vanden-Eijnden, Phys. Rev. B 66, 052301 (2002). PRBMDO 0163-1829 10.1103/PhysRevB.66.052301
- (2002) Phys. Rev. B , vol.66 , pp. 052301
- Ren, W.¹ Vanden-Eijnden, E.²

46
- 34247881948
- Weinan E, W. Ren, and E. Vanden-Eijnden, J. Chem. Phys. 126, 164103 (2007). 10.1063/1.2720838
- (2007) J. Chem. Phys. , vol.126 , pp. 164103
- Weinan, E.¹ Ren, W.² Vanden-Eijnden, E.³

47
- 0001045448
- PRLTAO 0031-9007
- S. Ismail-Beigi and T. A. Arias, Phys. Rev. Lett. 84, 1499 (2000). PRLTAO 0031-9007 10.1103/PhysRevLett.84.1499
- (2000) Phys. Rev. Lett. , vol.84 , pp. 1499
- Ismail-Beigi, S.¹ Arias, T.A.²

48
- 0141763828
- PRBMDO 0163-1829
- D. E. Segall, A. Strachan, W. A. Goddard, S. Ismail-Beigi, and T. A. Arias, Phys. Rev. B 68, 014104 (2003). PRBMDO 0163-1829 10.1103/PhysRevB.68.014104
- (2003) Phys. Rev. B , vol.68 , pp. 014104
- Segall, D.E.¹ Strachan, A.² Goddard, W.A.³ Ismail-Beigi, S.⁴ Arias, T.A.⁵

49
- 84873314867
- JCOMEL 0953-8984
- D. Cereceda, A. Stukowski, M. R. Gilbert, S. Queyreau, L. Ventelon, M.-C. Marinica, J. M. Perlado, and J. Marian, J. Phys.: Condens. Matter 25, 085702 (2013). JCOMEL 0953-8984 10.1088/0953-8984/25/8/085702
- (2013) J. Phys.: Condens. Matter , vol.25 , pp. 085702
- Cereceda, D.¹ Stukowski, A.² Gilbert, M.R.³ Queyreau, S.⁴ Ventelon, L.⁵ Marinica, M.-C.⁶ Perlado, J.M.⁷ Marian, J.⁸

50
- 13444273052
- ACMAFD 1359-6454
- C. Hartley and Y. Mishin, Acta Mater. 53, 1313 (2005). ACMAFD 1359-6454 10.1016/j.actamat.2004.11.027
- (2005) Acta Mater. , vol.53 , pp. 1313
- Hartley, C.¹ Mishin, Y.²

51
- 33746837636
- 1478-6435
- B. G. Mendis, Y. Mishin, C. S. Hartley, and K. J. Hemker, Philos. Mag. 86, 4607 (2006). 1478-6435 10.1080/14786430600660849
- (2006) Philos. Mag. , vol.86 , pp. 4607
- Mendis, B.G.¹ Mishin, Y.² Hartley, C.S.³ Hemker, K.J.⁴

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.