-
1
-
-
9744255488
-
The medium range structure of sodium silicate glasses: A molecular dynamics simulation
-
J. Du, and A.N. Cormack The medium range structure of sodium silicate glasses: a molecular dynamics simulation Journal of Non-Crystalline Solids 349 2004 66 79
-
(2004)
Journal of Non-Crystalline Solids
, vol.349
, pp. 66-79
-
-
Du, J.1
Cormack, A.N.2
-
2
-
-
0043172283
-
Sodium ion migration mechanisms in silicate glasses probed by molecular dynamics simulations
-
A.N. Cormack, J. Du, and T.R. Zeitler Sodium ion migration mechanisms in silicate glasses probed by molecular dynamics simulations Journal of Non-Crystalline Solids 323 2003 147 154
-
(2003)
Journal of Non-Crystalline Solids
, vol.323
, pp. 147-154
-
-
Cormack, A.N.1
Du, J.2
Zeitler, T.R.3
-
3
-
-
0035089475
-
Structural and dynamical properties of sodium silicate melts: An investigation by molecular dynamics computer simulation
-
DOI 10.1016/S0009-2541(00)00309-0, PII S0009254100003090
-
J. Horbach, W. Kob, and K. Binder Structural and dynamical properties of sodium silicate melts: an investigation by molecular dynamics computer simulation Chemical Geology 174 2001 87 101 (Pubitemid 32258726)
-
(2001)
Chemical Geology
, vol.174
, Issue.1-3
, pp. 87-101
-
-
Horbach, J.1
Kob, W.2
Binder, K.3
-
4
-
-
0036604037
-
Efficient algorithm for primitive ring statistics in topological networks
-
DOI 10.1016/S0927-0256(01)00256-7, PII S0927025601002567
-
Y. Xianglong, and A.N. Cormack Efficient algorithm for primitive ring statistics in topological networks Computational Materials Science 24 2002 343 360 (Pubitemid 34545825)
-
(2002)
Computational Materials Science
, vol.24
, Issue.3
, pp. 343-360
-
-
Yuan, X.1
Cormack, A.N.2
-
5
-
-
38849100280
-
De novo ultrascale atomistic simulations on high-end parallel supercomputers
-
DOI 10.1177/1094342007085015
-
A. Nakano, R.K. Kalia, K.-i. Nomura, A. Sharma, P. Vashishta, F. Shimojo, A.C.T. van Duin, W.A.I. Goddard, R. Biswas, D. Srivastava, and L.H. Yang De novo ultrascale atomistic simulations on high-end parallel supercomputers The International Journal of High Performance Computing Applications 22 2008 113 128 (Pubitemid 351188904)
-
(2008)
International Journal of High Performance Computing Applications
, vol.22
, Issue.1
, pp. 113-128
-
-
Nakano, A.1
Kalia, R.K.2
Nomura, K.-I.3
Sharma, A.4
Vashishta, P.5
Shimojo, F.6
Van Duin, A.C.T.7
Goddard III, W.A.8
Biswas, R.9
Srivastava, D.10
Yang, L.H.11
-
6
-
-
34047127308
-
A unified study of crack propagation in amorphous silica: Using experiments and simulations
-
DOI 10.1016/j.jallcom.2006.08.336, PII S0925838806013090
-
C.L. Rountree, S. Prades, D. Bonamy, E. Bouchaud, R. Kalia, and C. Guillot A unified study of crack propagation in amorphous silica: using experiments and simulations Journal of Alloys and Compounds 434-435 2007 60 63 (Pubitemid 46509487)
-
(2007)
Journal of Alloys and Compounds
, vol.434-435
, Issue.SPEC. ISS.
, pp. 60-63
-
-
Rountree, C.L.1
Prades, S.2
Bonamy, D.3
Bouchaud, E.4
Kalia, R.5
Guillot, C.6
-
7
-
-
47749128485
-
Molecular dynamics studies of stress-strain behavior of silica glass under a tensile load
-
A. Pedone, G. Malavasi, M.C. Menziani, U. Serge, and A.N. Cormack Molecular dynamics studies of stress-strain behavior of silica glass under a tensile load Chemistry of Materials 20 2008 4356 4366
-
(2008)
Chemistry of Materials
, vol.20
, pp. 4356-4366
-
-
Pedone, A.1
Malavasi, G.2
Menziani, M.C.3
Serge, U.4
Cormack, A.N.5
-
8
-
-
79958179350
-
-
STFC Daresbury Laboratory Daresbury, Washington Cheshire, UK
-
W. Smith, and I.T. Todorov DL-POLY3 June 2009 STFC Daresbury Laboratory Daresbury, Washington Cheshire, UK
-
(2009)
DL-POLY3
-
-
Smith, W.1
Todorov, I.T.2
-
9
-
-
0342723895
-
-
STFC Daresbury Laboratory Daresbury, Washington Cheshire, UK
-
W. Smith, T.R. Forester, and I.T. Todorov DL-POLY2 January 2009 STFC Daresbury Laboratory Daresbury, Washington Cheshire, UK
-
(2009)
DL-POLY2
-
-
Smith, W.1
Forester, T.R.2
Todorov, I.T.3
-
10
-
-
79958083954
-
Visual Molecular Dynamics
-
Group University of Illinois and Beckman Institute Urbana, IL
-
Visual Molecular Dynamics Theoretical and Computational Biophysics 2007 Group University of Illinois and Beckman Institute Urbana, IL
-
(2007)
Theoretical and Computational Biophysics
-
-
-
11
-
-
33745798193
-
A new self-consistent empirical interatomic potential model for oxides, silicates, and silicas-based glasses
-
DOI 10.1021/jp0611018
-
A. Pedone, G. Malavasi, M.C. Menziani, A.N. Cormack, and U. Segre A new self-consistent empirical interatomic potential model for oxides, silicates, and silica-based glasses Journal of Physical Chemistry B 110 2006 11780 11795 (Pubitemid 44024793)
-
(2006)
Journal of Physical Chemistry B
, vol.110
, Issue.24
, pp. 11780-11795
-
-
Pedone, A.1
Malavasi, G.2
Menziani, M.C.3
Cormack, A.N.4
Segre, U.5
-
13
-
-
1142293113
-
The effect of cooling rate on the structure of sodium silicate glass
-
J. Tan, S. Zhao, W. Wang, G. Davies, and X. Mo The effect of cooling rate on the structure of sodium silicate glass Materials Science and Engineering B 106 2003 295 299
-
(2003)
Materials Science and Engineering B
, vol.106
, pp. 295-299
-
-
Tan, J.1
Zhao, S.2
Wang, W.3
Davies, G.4
Mo, X.5
-
14
-
-
0027906050
-
Compositional and temperature effects on five-coordinated silicon in ambient pressure silicate glasses
-
J.F. Stebbins, and P. McMillan Compositional and temperature effects on five-coordinated silicon in ambient pressure silicate glasses Journal of Non-Crystalline Solids 160 1993 116 125 (Pubitemid 23699805)
-
(1993)
Journal of Non-Crystalline Solids
, vol.160
, Issue.1-2
, pp. 116-125
-
-
Stebbins Jonathan, F.1
McMillan Paul2
-
15
-
-
72149120558
-
Molecular dynamics simulations of sodium silicate glasses: Optimization and limits of computational procedure
-
M. Pota, A. Pedone, G. Malavasi, C. Durante, M. Cocchi, and M.C. Menxiani Molecular dynamics simulations of sodium silicate glasses: optimization and limits of computational procedure Computational Materials Science 47 2010 739 751
-
(2010)
Computational Materials Science
, vol.47
, pp. 739-751
-
-
Pota, M.1
Pedone, A.2
Malavasi, G.3
Durante, C.4
Cocchi, M.5
Menxiani, M.C.6
-
16
-
-
27944482058
-
Temperatures: Old, new and middle aged
-
DOI 10.1080/00268970500054664
-
J.G. Powles, G. Rickayzen, and D.M. Heyes Temperatures: old, new and middle aged Molecular Physics 103 2005 1361 1373 (Pubitemid 41663263)
-
(2005)
Molecular Physics
, vol.103
, Issue.10
, pp. 1361-1373
-
-
Powles, J.G.1
Rickayzen, G.2
Heyes, D.M.3
-
17
-
-
34247557271
-
Configurational temperature and pressure molecular dynamics: Review of current methodology and applications to the shear flow of a simple fluid
-
DOI 10.1080/00268970601014880, PII 769950009, Seventh Liblice Conference on the Statistical Mechanics of Liquids
-
K. Travis Configurational temperature and pressure molecular dynamics: review of current methodology and applications to the shear flow of a simple fluid Molecular Physics 104 2006 3735 3749 (Pubitemid 47226643)
-
(2006)
Molecular Physics
, vol.104
, Issue.22-24
, pp. 3735-3749
-
-
Travis, K.P.1
Braga, C.2
-
18
-
-
38049062976
-
Configurational temperature control for atomic and molecular systems
-
K.P. Travis, and C. Braga Configurational temperature control for atomic and molecular systems Journal of Chemical Physics 128 2008
-
(2008)
Journal of Chemical Physics
, vol.128
-
-
Travis, K.P.1
Braga, C.2
|