-
1
-
-
44649096556
-
First-principles calculation of self-diffusion coefficients
-
DOI 10.1103/PhysRevLett.100.215901
-
M. Mantina, Y. Wang, R. Arroyave, L. Q. Chen, Z. K. Liu, and C. Wolverton, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.100.215901 100, 215901 (2008). (Pubitemid 351777203)
-
(2008)
Physical Review Letters
, vol.100
, Issue.21
, pp. 215901
-
-
Mantina, M.1
Wang, Y.2
Arroyave, R.3
Chen, L.Q.4
Liu, Z.K.5
Wolverton, C.6
-
2
-
-
67650141865
-
-
ACMAFD 1359-6454 10.1016/j.actamat.2009.05.006
-
M. Mantina, Y. Wang, L. Q. Chen, Z. K. Liu, and C. Wolverton, Acta Mater. ACMAFD 1359-6454 10.1016/j.actamat.2009.05.006 57, 4102 (2009).
-
(2009)
Acta Mater.
, vol.57
, pp. 4102
-
-
Mantina, M.1
Wang, Y.2
Chen, L.Q.3
Liu, Z.K.4
Wolverton, C.5
-
3
-
-
73349085268
-
-
PLRBAQ 0556-2805 10.1103/PhysRevB.80.184111
-
M. Mantina, S. L. Shang, Y. Wang, L. Q. Chen, and Z. K. Liu, Phys. Rev. B PLRBAQ 0556-2805 10.1103/PhysRevB.80.184111 80, 184111 (2009).
-
(2009)
Phys. Rev. B
, vol.80
, pp. 184111
-
-
Mantina, M.1
Shang, S.L.2
Wang, Y.3
Chen, L.Q.4
Liu, Z.K.5
-
4
-
-
75749137374
-
-
DDAFE7 1012-0386 10.4028/www.scientific.net/DDF.294.1
-
M. Mantina, L. Q. Chen, and Z. K. Liu, Defect Diffus. Forum DDAFE7 1012-0386 10.4028/www.scientific.net/DDF.294.1 294, 1 (2009).
-
(2009)
Defect Diffus. Forum
, vol.294
, pp. 1
-
-
Mantina, M.1
Chen, L.Q.2
Liu, Z.K.3
-
5
-
-
79953214380
-
-
ACMAFD 1359-6454 10.1016/j.actamat.2011.01.062
-
S. Ganeshan, L. G. Hector Jr., and Z. K. Liu, Acta Mater. ACMAFD 1359-6454 10.1016/j.actamat.2011.01.062 59, 3214 (2011).
-
(2011)
Acta Mater.
, vol.59
, pp. 3214
-
-
Ganeshan, S.1
Hector, Jr.L.G.2
Liu, Z.K.3
-
7
-
-
53849130667
-
-
PLRBAQ 0556-2805 10.1103/PhysRevB.78.104306
-
A. Van der Ven, J. C. Thomas, Q. C. Xu, B. Swoboda, and D. Morgan, Phys. Rev. B PLRBAQ 0556-2805 10.1103/PhysRevB.78.104306 78, 104306 (2008).
-
(2008)
Phys. Rev. B
, vol.78
, pp. 104306
-
-
Van Der Ven, A.1
Thomas, J.C.2
Xu, Q.C.3
Swoboda, B.4
Morgan, D.5
-
8
-
-
77953013410
-
-
10.1038/nature09052
-
M. W. Ammann, J. P. Brodholt, J. Wookey, and D. P. Dobson, Nature 10.1038/nature09052 465, 462 (2010).
-
(2010)
Nature
, vol.465
, pp. 462
-
-
Ammann, M.W.1
Brodholt, J.P.2
Wookey, J.3
Dobson, D.P.4
-
9
-
-
42049087692
-
-
PLRBAQ 0556-2805 10.1103/PhysRevB.77.134305
-
E. Wimmer, W. Wolf, J. Sticht, P. Saxe, C. B. Geller, R. Najafabadi, and G. A. Young, Phys. Rev. B PLRBAQ 0556-2805 10.1103/PhysRevB.77.134305 77, 134305 (2008).
-
(2008)
Phys. Rev. B
, vol.77
, pp. 134305
-
-
Wimmer, E.1
Wolf, W.2
Sticht, J.3
Saxe, P.4
Geller, C.B.5
Najafabadi, R.6
Young, G.A.7
-
10
-
-
47349115797
-
2(110)
-
DOI 10.1021/ja8012825
-
S. C. Li, Z. Zhang, D. Sheppard, B. D. Kay, J. M. White, Y. Du, I. Lyubinetsky, G. Henkelman, and Z. Dohnalek, J. Am. Chem. Soc. JACSAT 0002-7863 10.1021/ja8012825 130, 9080 (2008). (Pubitemid 352000847)
-
(2008)
Journal of the American Chemical Society
, vol.130
, Issue.28
, pp. 9080-9088
-
-
Li, S.-C.1
Zhang, Z.2
Sheppard, D.3
Kay, B.D.4
White, J.M.5
Du, Y.6
Lyubinetsky, I.7
Henkelman, G.8
Dohnalek, Z.9
-
12
-
-
79961139619
-
-
I. I. Novikov, V. V. Roshchupkin, N. A. Semashko, and L. K. Fordeeva, J. Eng. Phys. Thermophys. 39, 1316 (1981).
-
(1981)
J. Eng. Phys. Thermophys.
, vol.39
, pp. 1316
-
-
Novikov, I.I.1
Roshchupkin, V.V.2
Semashko, N.A.3
Fordeeva, L.K.4
-
14
-
-
5244241519
-
-
JPFMAT 0305-4608 10.1088/0305-4608/14/10/004
-
E. Hashimoto, E. A. Smirnov, and T. Kino, J. Phys. F JPFMAT 0305-4608 10.1088/0305-4608/14/10/004 14, L 215 (1984).
-
(1984)
J. Phys. F
, vol.14
, pp. 215
-
-
Hashimoto, E.1
Smirnov, E.A.2
Kino, T.3
-
16
-
-
33750379249
-
First-principles study of the effect of hydrogen on the Ti self-diffusion characteristics in the alpha Ti-H system
-
DOI 10.1016/j.scriptamat.2006.06.037, PII S1359646206005276
-
X. L. Han, Q. Wang, D. L. Sun, and H. X. Zhang, Scr. Mater. SCMAF7 1359-6462 10.1016/j.scriptamat.2006.06.037 56, 77 (2007). (Pubitemid 44633764)
-
(2007)
Scripta Materialia
, vol.56
, Issue.1
, pp. 77-80
-
-
Han, X.L.1
Wang, Q.2
Sun, D.L.3
Zhang, H.X.4
-
17
-
-
69949124767
-
-
PHMAA4 0031-8086 10.1080/14786430903019032
-
A. T. Raji, S. Scandolo, R. Mazzarello, S. Nsengiyumva, M. Harting, and D. T. Britton, Philos. Mag. PHMAA4 0031-8086 10.1080/14786430903019032 89, 1629 (2009).
-
(2009)
Philos. Mag.
, vol.89
, pp. 1629
-
-
Raji, A.T.1
Scandolo, S.2
Mazzarello, R.3
Nsengiyumva, S.4
Harting, M.5
Britton, D.T.6
-
18
-
-
0021517242
-
Anomalous self-diffusion in a single crystal of alpha -zirconium
-
DOI 10.1016/0022-3115(84)90030-8
-
J. Horvath, F. Dyment, and H. Mehrer, J. Nucl. Mater. JNUMAM 0022-3115 10.1016/0022-3115(84)90030-8 126, 206 (1984). (Pubitemid 15459072)
-
(1984)
Journal of Nuclear Materials
, vol.126
, Issue.3
, pp. 206-214
-
-
Horvath, J.1
Dyment, F.2
Mehrer, H.3
-
20
-
-
0031258823
-
-
ACMAFD 1359-6454 10.1016/S1359-6454(97)00078-5
-
M. Köppers, C. Herzig, and M. Friesel, Acta Mater. ACMAFD 1359-6454 10.1016/S1359-6454(97)00078-5 45, 4181 (1997).
-
(1997)
Acta Mater.
, vol.45
, pp. 4181
-
-
Köppers, M.1
Herzig, C.2
Friesel, M.3
-
21
-
-
0008711001
-
-
ACMAFD 1359-6454 10.1016/S1359-6454(99)00400-0
-
Y. Mishin and C. Herzig, Acta Mater. ACMAFD 1359-6454 10.1016/S1359-6454(99)00400-0 48, 589 (2000).
-
(2000)
Acta Mater.
, vol.48
, pp. 589
-
-
Mishin, Y.1
Herzig, C.2
-
22
-
-
2142746284
-
-
JCPSA6 0021-9606 10.1063/1.1749604
-
H. Eyring, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1749604 3, 107 (1935).
-
(1935)
J. Chem. Phys.
, vol.3
, pp. 107
-
-
Eyring, H.1
-
23
-
-
0034513054
-
Climbing image nudged elastic band method for finding saddle points and minimum energy paths
-
DOI 10.1063/1.1329672
-
G. Henkelman, B. P. Uberuaga, and H. Jonsson, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1329672 113, 9901 (2000). (Pubitemid 32076883)
-
(2000)
Journal of Chemical Physics
, vol.113
, Issue.22
, pp. 9901-9904
-
-
Henkelman, G.1
Uberuaga, B.P.2
Jonsson, H.3
-
24
-
-
0041329260
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.78.4063
-
K. Parlinski, Z. Q. Li, and Y. Kawazoe, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.78.4063 78, 4063 (1997).
-
(1997)
Phys. Rev. Lett.
, vol.78
, pp. 4063
-
-
Parlinski, K.1
Li, Z.Q.2
Kawazoe, Y.3
-
25
-
-
2442537377
-
-
PLRBAQ 0556-2805 10.1103/PhysRevB.54.11169
-
G. Kresse and J. Furthmuller, Phys. Rev. B PLRBAQ 0556-2805 10.1103/PhysRevB.54.11169 54, 11169 (1996).
-
(1996)
Phys. Rev. B
, vol.54
, pp. 11169
-
-
Kresse, G.1
Furthmuller, J.2
-
26
-
-
0011236321
-
-
PLRBAQ 0556-2805 10.1103/PhysRevB.59.1758
-
G. Kresse and D. Joubert, Phys. Rev. B PLRBAQ 0556-2805 10.1103/PhysRevB.59.1758 59, 1758 (1999).
-
(1999)
Phys. Rev. B
, vol.59
, pp. 1758
-
-
Kresse, G.1
Joubert, D.2
-
27
-
-
41849095114
-
Restoring the density-gradient expansion for exchange in solids and surfaces
-
DOI 10.1103/PhysRevLett.100.136406
-
J. P. Perdew, A. Ruzsinszky, G. I. Csonka, O. A. Vydrov, G. E. Scuseria, L. A. Constantin, X. Zhou, and K. Burke, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.100.136406 100, 136406 (2008). (Pubitemid 351503187)
-
(2008)
Physical Review Letters
, vol.100
, Issue.13
, pp. 136406
-
-
Perdew, J.P.1
Ruzsinszky, A.2
Csonka, G.I.3
Vydrov, O.A.4
Scuseria, G.E.5
Constantin, L.A.6
Zhou, X.7
Burke, K.8
-
28
-
-
26144450583
-
-
PLRBAQ 0556-2805 10.1103/PhysRevB.23.5048
-
J. P. Perdew and A. Zunger, Phys. Rev. B PLRBAQ 0556-2805 10.1103/PhysRevB.23.5048 23, 5048 (1981).
-
(1981)
Phys. Rev. B
, vol.23
, pp. 5048
-
-
Perdew, J.P.1
Zunger, A.2
-
29
-
-
33645898818
-
-
PLRBAQ 0556-2805 10.1103/PhysRevB.45.13244
-
J. P. Perdew and Y. Wang, Phys. Rev. B PLRBAQ 0556-2805 10.1103/PhysRevB.45.13244 45, 13244 (1992).
-
(1992)
Phys. Rev. B
, vol.45
, pp. 13244
-
-
Perdew, J.P.1
Wang, Y.2
-
31
-
-
33744691386
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.45.566
-
D. M. Ceperley and B. J. Alder, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.45.566 45, 566 (1980).
-
(1980)
Phys. Rev. Lett.
, vol.45
, pp. 566
-
-
Ceperley, D.M.1
Alder, B.J.2
-
32
-
-
0003536561
-
-
ASTM International, Newbury, OH
-
P. Villars and L. D. Calvert, Pearson's Handbook of Crystallographic Data for Intermetallic Phases (ASTM International, Newbury, OH, 1991), p. 5338.
-
(1991)
Pearson's Handbook of Crystallographic Data for Intermetallic Phases
, pp. 5338
-
-
Villars, P.1
Calvert, L.D.2
-
33
-
-
0000720337
-
-
PLRBAQ 0556-2805 10.1103/PhysRevB.40.3616
-
M. Methfessel and A. T. Paxton, Phys. Rev. B PLRBAQ 0556-2805 10.1103/PhysRevB.40.3616 40, 3616 (1989).
-
(1989)
Phys. Rev. B
, vol.40
, pp. 3616
-
-
Methfessel, M.1
Paxton, A.T.2
-
34
-
-
79961142715
-
-
MedeA 2.5, Materials Design Inc., Angel Fire, NM, USA (2009)
-
MedeA 2.5, Materials Design Inc., Angel Fire, NM, USA (2009).
-
-
-
-
35
-
-
66349118579
-
-
JCOMEL 0953-8984 10.1088/0953-8984/21/24/246001
-
S. L. Shang, L. G. Hector, Y. Wang, H. Zhang, and Z. K. Liu, J. Phys. Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/21/24/246001 21, 246001 (2009).
-
(2009)
J. Phys. Condens. Matter
, vol.21
, pp. 246001
-
-
Shang, S.L.1
Hector, L.G.2
Wang, Y.3
Zhang, H.4
Liu, Z.K.5
-
36
-
-
33644949342
-
-
CRC Press, Boca Raton, Fla.
-
E. Y. Tonkov and E. G. Ponyatovsky, Phase Transformations of Elements under High Pressure (CRC Press, Boca Raton, Fla., 2005), p. 223.
-
(2005)
Phase Transformations of Elements under High Pressure
, pp. 223
-
-
Tonkov, E.Y.1
Ponyatovsky, E.G.2
-
37
-
-
0017935444
-
-
JNUMAM 0022-3115 10.1016/0022-3115(78)90234-9
-
N. L. Peterson, J. Nucl. Mater. JNUMAM 0022-3115 10.1016/0022-3115(78) 90234-9 69-70, 3 (1978).
-
(1978)
J. Nucl. Mater.
, vol.69-70
, pp. 3
-
-
Peterson, N.L.1
-
38
-
-
0012849257
-
-
PHRVAO 0031-899X 10.1103/PhysRev.124.1723
-
J. G. Mullen, Phys. Rev. PHRVAO 0031-899X 10.1103/PhysRev.124.1723 124, 1723 (1961).
-
(1961)
Phys. Rev.
, vol.124
, pp. 1723
-
-
Mullen, J.G.1
-
39
-
-
74149089768
-
-
CMMSEM 0927-0256 10.1016/j.commatsci.2009.12.006
-
S. L. Shang, Y. Wang, D. Kim, and Z. K. Liu, Comput. Mater. Sci. CMMSEM 0927-0256 10.1016/j.commatsci.2009.12.006 47, 1040 (2010).
-
(2010)
Comput. Mater. Sci.
, vol.47
, pp. 1040
-
-
Shang, S.L.1
Wang, Y.2
Kim, D.3
Liu, Z.K.4
|