-
2
-
-
0000698496
-
Studies on the freezing of pure liquids. II. The kinetics of homogeneous nucleation in supercooled liquids
-
E. R. Buckle, " Studies on the freezing of pure liquids. II. The kinetics of homogeneous nucleation in supercooled liquids," Proc. R. Soc. A 261 (1305), 189-196 (1961). 10.1098/rspa.1961.0069
-
(1961)
Proc. R. Soc. A
, vol.261
, Issue.1305
, pp. 189-196
-
-
Buckle, E.R.1
-
3
-
-
0029540056
-
A new look at homogeneous ice nucleation in supercooled water drops
-
H. R. Pruppacher, " A new look at homogeneous ice nucleation in supercooled water drops," J. Atmos. Sci. 52, 1924 (1995). 10.1175/1520-0469(1995)052<1924:ANLAHI>2.0.CO;2
-
(1995)
J. Atmos. Sci.
, vol.52
, pp. 1924
-
-
Pruppacher, H.R.1
-
4
-
-
77956370942
-
Kinetics of the homogeneous freezing of water
-
B. J. Murray, S. L. Broadley, T. W. Wilson, S. J. Bull, R. H. Wills, H. K. Christenson, and E. J. Murray, " Kinetics of the homogeneous freezing of water," Phys. Chem. Chem. Phys. 12, 10380 (2010). 10.1039/c003297b
-
(2010)
Phys. Chem. Chem. Phys.
, vol.12
, pp. 10380
-
-
Murray, B.J.1
Broadley, S.L.2
Wilson, T.W.3
Bull, S.J.4
Wills, R.H.5
Christenson, H.K.6
Murray, E.J.7
-
5
-
-
84858405801
-
Freezing water in no man's land
-
A. Manka, H. Pathak, S. Tanimura, J. Wolk, R. Strey, and B. E. Wyslouzil, " Freezing water in no man's land," Phys. Chem. Chem. Phys. 14, 4505-4516 (2012). 10.1039/c2cp23116f
-
(2012)
Phys. Chem. Chem. Phys.
, vol.14
, pp. 4505-4516
-
-
Manka, A.1
Pathak, H.2
Tanimura, S.3
Wolk, J.4
Strey, R.5
Wyslouzil, B.E.6
-
6
-
-
84937159811
-
Anomalous behavior of the homogeneous ice nucleation rate in no-mans land
-
H. Laksmono, T. A. McQueen, J. A. Sellberg, N. D. Loh, C. Huang, D. Schlesinger, R. G. Sierra, C. Y. Hampton, D. Nordlund, M. Beye, A. V. Martin, A. Barty, M. M. Seibert, M. Messerschmidt, G. J. Williams, S. Boutet, K. Amann-Winkel, T. Loerting, L. G. M. Pettersson, M. J. Bogan, and A. Nilsson, " Anomalous behavior of the homogeneous ice nucleation rate in no-mans land," J. Phys. Chem. Lett. 6 (14), 2826-2832 (2015). 10.1021/acs.jpclett.5b01164
-
(2015)
J. Phys. Chem. Lett.
, vol.6
, Issue.14
, pp. 2826-2832
-
-
Laksmono, H.1
McQueen, T.A.2
Sellberg, J.A.3
Loh, N.D.4
Huang, C.5
Schlesinger, D.6
Sierra, R.G.7
Hampton, C.Y.8
Nordlund, D.9
Beye, M.10
Martin, A.V.11
Barty, A.12
Seibert, M.M.13
Messerschmidt, M.14
Williams, G.J.15
Boutet, S.16
Amann-Winkel, K.17
Loerting, T.18
Pettersson, L.G.M.19
Bogan, M.J.20
Nilsson, A.21
more..
-
7
-
-
84923348108
-
Classical nucleation theory of homogeneous freezing of water: Thermodynamic and kinetic parameters
-
L. Ickes, A. Welti, C. Hoose, and U. Lohmann, " Classical nucleation theory of homogeneous freezing of water: Thermodynamic and kinetic parameters," Phys. Chem. Chem. Phys. 17, 5514-5537 (2015). 10.1039/C4CP04184D
-
(2015)
Phys. Chem. Chem. Phys.
, vol.17
, pp. 5514-5537
-
-
Ickes, L.1
Welti, A.2
Hoose, C.3
Lohmann, U.4
-
8
-
-
16444382474
-
Phase behaviour of concentrated suspensions of nearly hard colloidal spheres
-
P. N. Pusey and W. van Megen, " Phase behaviour of concentrated suspensions of nearly hard colloidal spheres," Nature 320 (27), 340 (1986). 10.1038/320340a0
-
(1986)
Nature
, vol.320
, Issue.27
, pp. 340
-
-
Pusey, P.N.1
Van Megen, W.2
-
9
-
-
0035853528
-
Real-space imaging of nucleation and growth in colloidal crystallization
-
U. Gasser, E. R. Weeks, A. Schofield, P. N. Pusey, and D. A. Weitz, " Real-space imaging of nucleation and growth in colloidal crystallization," Science 292, 258 (2001). 10.1126/science.1058457
-
(2001)
Science
, vol.292
, pp. 258
-
-
Gasser, U.1
Weeks, E.R.2
Schofield, A.3
Pusey, P.N.4
Weitz, D.A.5
-
10
-
-
34547604210
-
Anisotropy of building blocks and their assembly into complex structures
-
S. C. Glotzer and M. J. Solomon, " Anisotropy of building blocks and their assembly into complex structures," Nat. Mater. 6, 557-562 (2007). 10.1038/nmat1949
-
(2007)
Nat. Mater.
, vol.6
, pp. 557-562
-
-
Glotzer, S.C.1
Solomon, M.J.2
-
11
-
-
0000596470
-
Crystallization kinetics of suspensions of hard colloidal spheres
-
J. L. Harland and W. van Megen, " Crystallization kinetics of suspensions of hard colloidal spheres," Phys. Rev. E 55, 3054 (1997). 10.1103/PhysRevE.55.3054
-
(1997)
Phys. Rev. e
, vol.55
, pp. 3054
-
-
Harland, J.L.1
Van Megen, W.2
-
12
-
-
21544442740
-
Computer simulation study of free energy barriers in crystal nucleation
-
J. S. van Duijneveldt and D. Frenkel, " Computer simulation study of free energy barriers in crystal nucleation," J. Chem. Phys. 96, 4655 (1992). 10.1063/1.462802
-
(1992)
J. Chem. Phys.
, vol.96
, pp. 4655
-
-
Van Duijneveldt, J.S.1
Frenkel, D.2
-
13
-
-
0347802347
-
Numerical evidence for bcc ordering at the surface of a critical fcc nucleus
-
P. R. ten Wolde, M. J. Ruiz-Montero, and D. Frenkel, " Numerical evidence for bcc ordering at the surface of a critical fcc nucleus," Phys. Rev. Lett. 75, 2714 (1995). 10.1103/PhysRevLett.75.2714
-
(1995)
Phys. Rev. Lett.
, vol.75
, pp. 2714
-
-
Ten Wolde, P.R.1
Ruiz-Montero, M.J.2
Frenkel, D.3
-
14
-
-
27744538230
-
Interplay between structure and size in a critical crystal nucleus
-
D. Moroni, P. R. ten Wolde, and P. G. Bolhuis, " Interplay between structure and size in a critical crystal nucleus," Phys. Rev. Lett. 94, 235703 (2005). 10.1103/PhysRevLett.94.235703
-
(2005)
Phys. Rev. Lett.
, vol.94
-
-
Moroni, D.1
Ten Wolde, P.R.2
Bolhuis, P.G.3
-
15
-
-
0342929614
-
Nonphysical sampling distributions in Monte Carlo free-energy estimation: Umbrella sampling
-
G. M. Torrie and J. P. Valleau, " Nonphysical sampling distributions in Monte Carlo free-energy estimation: Umbrella sampling," J. Comput. Phys. 23, 187 (1977). 10.1016/0021-9991(77)90121-8
-
(1977)
J. Comput. Phys.
, vol.23
, pp. 187
-
-
Torrie, G.M.1
Valleau, J.P.2
-
16
-
-
39349093381
-
Umbrella Sampling for nonequilibrium processes
-
A. Warmflash, P. Bhimalapuram, and A. R. Diner, " Umbrella Sampling for nonequilibrium processes," J. Chem. Phys. 127, 154112 (2007). 10.1063/1.2784118
-
(2007)
J. Chem. Phys.
, vol.127
-
-
Warmflash, A.1
Bhimalapuram, P.2
Diner, A.R.3
-
17
-
-
17444412625
-
Numerical calculation of the rate of crystal nucleation in a Lennard-Jones system at moderate undercooling
-
P. R. ten Wolde, M. J. Ruiz-Montero, and D. Frenkel, " Numerical calculation of the rate of crystal nucleation in a Lennard-Jones system at moderate undercooling," J. Chem. Phys. 104, 9932 (1996). 10.1063/1.471721
-
(1996)
J. Chem. Phys.
, vol.104
, pp. 9932
-
-
Ten Wolde, P.R.1
Ruiz-Montero, M.J.2
Frenkel, D.3
-
18
-
-
0035931881
-
Prediction of absolute crystal-nucleation rate in hard-sphere colloids
-
S. Auer and D. Frenkel, " Prediction of absolute crystal-nucleation rate in hard-sphere colloids," Nature 409, 1020 (2001). 10.1038/35059035
-
(2001)
Nature
, vol.409
, pp. 1020
-
-
Auer, S.1
Frenkel, D.2
-
20
-
-
21444436913
-
Rate of homogeneous crystal nucleation in molten NaCl
-
C. Valeriani, E. Sanz, and D. Frenkel, " Rate of homogeneous crystal nucleation in molten NaCl," J. Chem. Phys. 122, 194501 (2005). 10.1063/1.1896348
-
(2005)
J. Chem. Phys.
, vol.122
-
-
Valeriani, C.1
Sanz, E.2
Frenkel, D.3
-
21
-
-
78650865374
-
Crystal nucleation of hard spheres using molecular dynamics, umbrella sampling, and forward flux sampling: A comparison of simulation techniques
-
L. Filion, M. Hermes, R. Ni, and M. Dijkstra, " Crystal nucleation of hard spheres using molecular dynamics, umbrella sampling, and forward flux sampling: A comparison of simulation techniques," J. Chem. Phys. 133 (24), 244115 (2010). 10.1063/1.3506838
-
(2010)
J. Chem. Phys.
, vol.133
, Issue.24
-
-
Filion, L.1
Hermes, M.2
Ni, R.3
Dijkstra, M.4
-
22
-
-
33847250411
-
Kinetic pathways for the isotropic-nematic phase transition in a system of colloidal hard rods: A simulation study
-
A. Cuetos and M. Dijkstra, " Kinetic pathways for the isotropic-nematic phase transition in a system of colloidal hard rods: A simulation study," Phys. Rev. Lett. 98, 095701 (2007). 10.1103/PhysRevLett.98.095701
-
(2007)
Phys. Rev. Lett.
, vol.98
-
-
Cuetos, A.1
Dijkstra, M.2
-
23
-
-
84856755040
-
Free energy landscapes for homogeneous nucleation of ice for a monatomic water model
-
A. Reinhardt and J. P. K. Doye, " Free energy landscapes for homogeneous nucleation of ice for a monatomic water model," J. Chem. Phys. 136 (5), 054501 (2012). 10.1063/1.3677192
-
(2012)
J. Chem. Phys.
, vol.136
, Issue.5
-
-
Reinhardt, A.1
Doye, J.P.K.2
-
24
-
-
84902987452
-
New metastable form of ice and its role in the homogeneous crystallization of water
-
J. Russo, F. Romano, and H. Tanaka, " New metastable form of ice and its role in the homogeneous crystallization of water," Nat. Mater. 13, 733 (2014). 10.1038/nmat3977
-
(2014)
Nat. Mater.
, vol.13
, pp. 733
-
-
Russo, J.1
Romano, F.2
Tanaka, H.3
-
25
-
-
80053471392
-
Nucleation barriers in tetrahedral liquids spanning glassy and crystallizing regimes
-
I. Saika-Voivod, F. Romano, and F. Sciortino, " Nucleation barriers in tetrahedral liquids spanning glassy and crystallizing regimes," J. Chem. Phys. 135 (12), 124506 (2011). 10.1063/1.3638046
-
(2011)
J. Chem. Phys.
, vol.135
, Issue.12
-
-
Saika-Voivod, I.1
Romano, F.2
Sciortino, F.3
-
26
-
-
84929989464
-
Free energy of formation of small ice nuclei near the widom line in simulations of supercooled water
-
C. Buhariwalla, R. Bowles, I. Saika-Voivod, F. Sciortino, and P. Poole, " Free energy of formation of small ice nuclei near the widom line in simulations of supercooled water," Eur. Phys. J. E 38 (5), 39 (2015). 10.1140/epje/i2015-15039-x
-
(2015)
Eur. Phys. J. e
, vol.38
, Issue.5
, pp. 39
-
-
Buhariwalla, C.1
Bowles, R.2
Saika-Voivod, I.3
Sciortino, F.4
Poole, P.5
-
27
-
-
58149354599
-
Challenges in molecular simulation of homogeneous ice nucleation
-
A. V. Brukhno, J. Anwar, R. Davidchack, and R. Handel, " Challenges in molecular simulation of homogeneous ice nucleation," J. Phys.: Condens. Matter 20 (49), 494243 (2008). 10.1088/0953-8984/20/49/494243
-
(2008)
J. Phys.: Condens. Matter
, vol.20
, Issue.49
-
-
Brukhno, A.V.1
Anwar, J.2
Davidchack, R.3
Handel, R.4
-
28
-
-
84903362441
-
Neural networks for local structure detection in polymorphic systems
-
P. Geiger and C. Dellago, " Neural networks for local structure detection in polymorphic systems," J. Chem. Phys. 139 (16), 164105 (2013). 10.1063/1.4825111
-
(2013)
J. Chem. Phys.
, vol.139
, Issue.16
-
-
Geiger, P.1
Dellago, C.2
-
29
-
-
84912571433
-
Suppression of sub-surface freezing in free-standing thin films of a coarse-grained model of water
-
A. Haji-Akbari, R. S. DeFever, S. Sarupria, and P. G. Debenedetti, " Suppression of sub-surface freezing in free-standing thin films of a coarse-grained model of water," Phys. Chem. Chem. Phys. 16, 25916-25927 (2014). 10.1039/C4CP03948C
-
(2014)
Phys. Chem. Chem. Phys.
, vol.16
, pp. 25916-25927
-
-
Haji-Akbari, A.1
DeFever, R.S.2
Sarupria, S.3
Debenedetti, P.G.4
-
30
-
-
18144425774
-
Sampling rare switching events in biochemical networks
-
R. J. Allen, P. B. Warren, and P. R. ten Wolde, " Sampling rare switching events in biochemical networks," Phys. Rev. Lett. 94, 018104 (2005). 10.1103/PhysRevLett.94.018104
-
(2005)
Phys. Rev. Lett.
, vol.94
-
-
Allen, R.J.1
Warren, P.B.2
Ten Wolde, P.R.3
-
31
-
-
34547674536
-
Evidence for out-of-equilibrium crystal nucleation in suspensions of oppositely charged colloids
-
E. Sanz, C. Valeriani, D. Frenkel, and M. Dijkstra, " Evidence for out-of-equilibrium crystal nucleation in suspensions of oppositely charged colloids," Phys. Rev. Lett. 99, 055501 (2007). 10.1103/PhysRevLett.99.055501
-
(2007)
Phys. Rev. Lett.
, vol.99
-
-
Sanz, E.1
Valeriani, C.2
Frenkel, D.3
Dijkstra, M.4
-
32
-
-
80455129244
-
Homogeneous ice nucleation from supercooled water
-
T. Li, D. Donadio, G. Russo, and G. Galli, " Homogeneous ice nucleation from supercooled water," Phys. Chem. Chem. Phys. 13, 19807-19813 (2011). 10.1039/c1cp22167a
-
(2011)
Phys. Chem. Chem. Phys.
, vol.13
, pp. 19807-19813
-
-
Li, T.1
Donadio, D.2
Russo, G.3
Galli, G.4
-
33
-
-
84940434939
-
Direct calculation of ice homogeneous nucleation rate for a molecular model of water
-
A. Haji-Akbari and P. G. Debenedetti, " Direct calculation of ice homogeneous nucleation rate for a molecular model of water," Proc. Natl. Acad. Sci. U. S. A. 112 (34), 10582-10588 (2015). 10.1073/pnas.1509267112
-
(2015)
Proc. Natl. Acad. Sci. U. S. A.
, vol.112
, Issue.34
, pp. 10582-10588
-
-
Haji-Akbari, A.1
Debenedetti, P.G.2
-
35
-
-
33748517436
-
Freezing of a Lennard-Jones fluid: From nucleation to spinodal regime
-
F. Trudu, D. Donadio, and M. Parrinello, " Freezing of a Lennard-Jones fluid: From nucleation to spinodal regime," Phys. Rev. Lett. 97, 105701 (2006). 10.1103/PhysRevLett.97.105701
-
(2006)
Phys. Rev. Lett.
, vol.97
-
-
Trudu, F.1
Donadio, D.2
Parrinello, M.3
-
36
-
-
0036424048
-
Transition path sampling: Throwing ropes over rough mountain passes, in the dark
-
P. G. Bolhuis, D. Chandler, C. Dellago, and P. L. Geissler, " Transition path sampling: Throwing ropes over rough mountain passes, in the dark," Annu. Rev. Phys. Chem. 53, 291 (2002). 10.1146/annurev.physchem.53.082301.113146
-
(2002)
Annu. Rev. Phys. Chem.
, vol.53
, pp. 291
-
-
Bolhuis, P.G.1
Chandler, D.2
Dellago, C.3
Geissler, P.L.4
-
37
-
-
79951995355
-
Role of the prestructured surface cloud in crystal nucleation
-
W. Lechner, C. Dellago, and P. G. Bolhuis, " Role of the prestructured surface cloud in crystal nucleation," Phys. Rev. Lett. 106, 085701 (2011). 10.1103/PhysRevLett.106.085701
-
(2011)
Phys. Rev. Lett.
, vol.106
-
-
Lechner, W.1
Dellago, C.2
Bolhuis, P.G.3
-
38
-
-
34547649123
-
Calculation of solid-liquid interfacial free energy: A classical nucleation theory based approach
-
X.-M. Bai and M. Li, " Calculation of solid-liquid interfacial free energy: A classical nucleation theory based approach," J. Chem. Phys. 124 (12), 124707 (2006). 10.1063/1.2184315
-
(2006)
J. Chem. Phys.
, vol.124
, Issue.12
-
-
Bai, X.-M.1
Li, M.2
-
39
-
-
84870680967
-
Homogeneous nucleation of methane hydrates: Unrealistic under realistic conditions
-
B. C. Knott, V. Molinero, M. F. Doherty, and B. Peters, " Homogeneous nucleation of methane hydrates: Unrealistic under realistic conditions," J. Am. Chem. Soc. 134, 19544-19547 (2012). 10.1021/ja309117d
-
(2012)
J. Am. Chem. Soc.
, vol.134
, pp. 19544-19547
-
-
Knott, B.C.1
Molinero, V.2
Doherty, M.F.3
Peters, B.4
-
40
-
-
79960922778
-
Temperature dependence of ice critical nucleus size
-
R. G. Pereyra, I. Szleifer, and M. A. Carignano, " Temperature dependence of ice critical nucleus size," J. Chem. Phys. 135, 034508 (2011). 10.1063/1.3613672
-
(2011)
J. Chem. Phys.
, vol.135
-
-
Pereyra, R.G.1
Szleifer, I.2
Carignano, M.A.3
-
41
-
-
84885592138
-
Homogeneous ice nucleation at moderate supercooling from molecular simulation
-
E. Sanz, C. Vega, J. R. Espinosa, R. Caballero-Bernal, J. L. F. Abascal, and C. Valeriani, " Homogeneous ice nucleation at moderate supercooling from molecular simulation," J. Am. Chem. Soc. 135 (40), 15008-15017 (2013). 10.1021/ja4028814
-
(2013)
J. Am. Chem. Soc.
, vol.135
, Issue.40
, pp. 15008-15017
-
-
Sanz, E.1
Vega, C.2
Espinosa, J.R.3
Caballero-Bernal, R.4
Abascal, J.L.F.5
Valeriani, C.6
-
42
-
-
84908180982
-
Homogeneous ice nucleation evaluated for several water models
-
J. R. Espinosa, E. Sanz, C. Valeriani, and C. Vega, " Homogeneous ice nucleation evaluated for several water models," J. Chem. Phys. 141, 18C529 (2014). 10.1063/1.4897524
-
(2014)
J. Chem. Phys.
, vol.141
, pp. 18C529
-
-
Espinosa, J.R.1
Sanz, E.2
Valeriani, C.3
Vega, C.4
-
43
-
-
84929629703
-
The crystal-fluid interfacial free energy and nucleation rate of NaCl from different simulation methods
-
J. R. Espinosa, C. Vega, C. Valeriani, and E. Sanz, " The crystal-fluid interfacial free energy and nucleation rate of NaCl from different simulation methods," J. Chem. Phys. 142 (19), 194709 (2015). 10.1063/1.4921185
-
(2015)
J. Chem. Phys.
, vol.142
, Issue.19
-
-
Espinosa, J.R.1
Vega, C.2
Valeriani, C.3
Sanz, E.4
-
44
-
-
84945281618
-
Nucleation of NaCl from aqueous solution: Critical sizes, ion-attachment kinetics, and rates
-
N. E. R. Zimmermann, B. Vorselaars, D. Quigley, and B. Peters, " Nucleation of NaCl from aqueous solution: Critical sizes, ion-attachment kinetics, and rates," J. Am. Chem. Soc. 137 (41), 13352 (2015). 10.1021/jacs.5b08098
-
(2015)
J. Am. Chem. Soc.
, vol.137
, Issue.41
, pp. 13352
-
-
Zimmermann, N.E.R.1
Vorselaars, B.2
Quigley, D.3
Peters, B.4
-
47
-
-
0038060680
-
Direct calculation of the crystal-melt interfacial free energies for continuous potentials: Application to the Lennard-Jones system
-
R. L. Davidchack and B. B. Laird, " Direct calculation of the crystal-melt interfacial free energies for continuous potentials: Application to the Lennard-Jones system," J. Chem. Phys. 118 (16), 7651-7657 (2003). 10.1063/1.1563248
-
(2003)
J. Chem. Phys.
, vol.118
, Issue.16
, pp. 7651-7657
-
-
Davidchack, R.L.1
Laird, B.B.2
-
48
-
-
84907863072
-
The mold integration method for the calculation of the crystal-fluid interfacial free energy from simulations
-
J. R. Espinosa, C. Vega, and E. Sanz, " The mold integration method for the calculation of the crystal-fluid interfacial free energy from simulations," J. Chem. Phys. 141 (13), 134709 (2014). 10.1063/1.4896621
-
(2014)
J. Chem. Phys.
, vol.141
, Issue.13
-
-
Espinosa, J.R.1
Vega, C.2
Sanz, E.3
-
49
-
-
77955134878
-
Solid-liquid interface free energy through metadynamics simulations
-
S. Angioletti-Uberti, M. Ceriotti, P. D. Lee, and M. W. Finnis, " Solid-liquid interface free energy through metadynamics simulations," Phys. Rev. B 81, 125416 (2010). 10.1103/PhysRevB.81.125416
-
(2010)
Phys. Rev. B
, vol.81
-
-
Angioletti-Uberti, S.1
Ceriotti, M.2
Lee, P.D.3
Finnis, M.W.4
-
50
-
-
84905652900
-
Crystal-liquid interfacial free energy via thermodynamic integration
-
R. Benjamin and J. Horbach, " Crystal-liquid interfacial free energy via thermodynamic integration," J. Chem. Phys. 141 (4), 044715 (2014). 10.1063/1.4891220
-
(2014)
J. Chem. Phys.
, vol.141
, Issue.4
-
-
Benjamin, R.1
Horbach, J.2
-
51
-
-
65249097326
-
Water modeled as an intermediate element between carbon and silicon
-
V. Molinero and E. B. Moore, " Water modeled as an intermediate element between carbon and silicon," J. Phys. Chem. B 113 (13), 4008-4016 (2009). 10.1021/jp805227c
-
(2009)
J. Phys. Chem. B
, vol.113
, Issue.13
, pp. 4008-4016
-
-
Molinero, V.1
Moore, E.B.2
-
53
-
-
0020766211
-
Surface free energy and stress of a Lennard-Jones crystal
-
J. Broughton and G. Gilmer, " Surface free energy and stress of a Lennard-Jones crystal," Acta Metall. 31 (6), 845-851 (1983). 10.1016/0001-6160(83)90112-8
-
(1983)
Acta Metall.
, vol.31
, Issue.6
, pp. 845-851
-
-
Broughton, J.1
Gilmer, G.2
-
54
-
-
0035789518
-
Gromacs 3.0: A package for molecular simulation and trajectory analysis
-
E. Lindahl, B. Hess, and D. van der Spoel, " Gromacs 3.0: A package for molecular simulation and trajectory analysis," J. Mol. Model. 7, 306 (2001).
-
(2001)
J. Mol. Model.
, vol.7
, pp. 306
-
-
Lindahl, E.1
Hess, B.2
Van Der Spoel, D.3
-
55
-
-
84867564111
-
Pseudo hard-sphere potential for use in continuous molecular-dynamics simulation of spherical and chain molecules
-
J. Jover, A. J. Haslam, A. Galindo, G. Jackson, and E. A. Muller, " Pseudo hard-sphere potential for use in continuous molecular-dynamics simulation of spherical and chain molecules," J. Chem. Phys. 137 (14), 144505 (2012). 10.1063/1.4754275
-
(2012)
J. Chem. Phys.
, vol.137
, Issue.14
-
-
Jover, J.1
Haslam, A.J.2
Galindo, A.3
Jackson, G.4
Muller, E.A.5
-
56
-
-
84886880806
-
On fluid-solid direct coexistence simulations: The pseudo-hard sphere model
-
J. R. Espinosa, E. Sanz, C. Valeriani, and C. Vega, " On fluid-solid direct coexistence simulations: The pseudo-hard sphere model," J. Chem. Phys. 139 (14), 144502 (2013). 10.1063/1.4823499
-
(2013)
J. Chem. Phys.
, vol.139
, Issue.14
-
-
Espinosa, J.R.1
Sanz, E.2
Valeriani, C.3
Vega, C.4
-
57
-
-
2742548473
-
Ionic sizes and born repulsive parameters in the NaCl-type alkali halides. i
-
F. Fumi and M. Tosi, " Ionic sizes and born repulsive parameters in the NaCl-type alkali halides. I," J. Phys. Chem. Solids 25, 31-43 (1964). 10.1016/0022-3697(64)90159-3
-
(1964)
J. Phys. Chem. Solids
, vol.25
, pp. 31-43
-
-
Fumi, F.1
Tosi, M.2
-
58
-
-
0346539301
-
Ionic sizes and born repulsive parameters in the NaCl-type alkali halides. II
-
M. Tosi and F. Fumi, " Ionic sizes and born repulsive parameters in the NaCl-type alkali halides. II," J. Phys. Chem. Solids 25, 45-52 (1964). 10.1016/0022-3697(64)90160-X
-
(1964)
J. Phys. Chem. Solids
, vol.25
, pp. 45-52
-
-
Tosi, M.1
Fumi, F.2
-
59
-
-
84866423006
-
Calculation of the melting point of alkali halides by means of computer simulations
-
J. L. Aragones, E. Sanz, C. Valeriani, and C. Vega, " Calculation of the melting point of alkali halides by means of computer simulations," J. Chem. Phys. 137 (10), 104507 (2012). 10.1063/1.4745205
-
(2012)
J. Chem. Phys.
, vol.137
, Issue.10
-
-
Aragones, J.L.1
Sanz, E.2
Valeriani, C.3
Vega, C.4
-
60
-
-
33645961739
-
A smooth particle mesh Ewald method
-
U. Essmann, L. Perera, M. L. Berkowitz, T. Harden, H. Lee, and L. G. Pedersen, " A smooth particle mesh Ewald method," J. Chem. Phys. 103, 8577 (1995). 10.1063/1.470117
-
(1995)
J. Chem. Phys.
, vol.103
, pp. 8577
-
-
Essmann, U.1
Perera, L.2
Berkowitz, M.L.3
Harden, T.4
Lee, H.5
Pedersen, L.G.6
-
61
-
-
0019707626
-
Polymorphic transitions in single crystals: A new molecular dynamics method
-
M. Parrinello and A. Rahman, " Polymorphic transitions in single crystals: A new molecular dynamics method," J. Appl. Phys. 52, 7182-7190 (1981). 10.1063/1.328693
-
(1981)
J. Appl. Phys.
, vol.52
, pp. 7182-7190
-
-
Parrinello, M.1
Rahman, A.2
-
62
-
-
33846086933
-
Canonical sampling through velocity rescaling
-
G. Bussi, D. Donadio, and M. Parrinello, " Canonical sampling through velocity rescaling," J. Chem. Phys. 126 (1), 014101 (2007). 10.1063/1.2408420
-
(2007)
J. Chem. Phys.
, vol.126
, Issue.1
-
-
Bussi, G.1
Donadio, D.2
Parrinello, M.3
-
63
-
-
0001538909
-
Canonical dynamics: Equilibrium phase-space distributions
-
W. G. Hoover, " Canonical dynamics: Equilibrium phase-space distributions," Phys. Rev. A 31, 1695 (1985). 10.1103/physreva.31.1695
-
(1985)
Phys. Rev. A
, vol.31
, pp. 1695
-
-
Hoover, W.G.1
-
64
-
-
33646645973
-
Constant-pressure equations of motion
-
W. G. Hoover, " Constant-pressure equations of motion," Phys. Rev. A 34, 2499-2500 (1986). 10.1103/PhysRevA.34.2499
-
(1986)
Phys. Rev. A
, vol.34
, pp. 2499-2500
-
-
Hoover, W.G.1
-
65
-
-
84925711387
-
Hoover NPT dynamics for systems varying in shape and size
-
S. Melchionna, G. Ciccotti, and B. L. Holian, " Hoover NPT dynamics for systems varying in shape and size," Mol. Phys. 78 (3), 533-544 (1993). 10.1080/00268979300100371
-
(1993)
Mol. Phys.
, vol.78
, Issue.3
, pp. 533-544
-
-
Melchionna, S.1
Ciccotti, G.2
Holian, B.L.3
-
66
-
-
84943775893
-
Competition between ices Ih and Ic in homogeneous water freezing
-
A. Zaragoza, M. M. Conde, J. R. Espinosa, C. Valeriani, C. Vega, and E. Sanz, " Competition between ices Ih and Ic in homogeneous water freezing," J. Chem. Phys. 143 (13), 134504 (2015). 10.1063/1.4931987
-
(2015)
J. Chem. Phys.
, vol.143
, Issue.13
-
-
Zaragoza, A.1
Conde, M.M.2
Espinosa, J.R.3
Valeriani, C.4
Vega, C.5
Sanz, E.6
-
67
-
-
84904685148
-
Computer simulation study of surface wave dynamics at the crystal-melt interface
-
J. Benet, L. G. MacDowell, and E. Sanz, " Computer simulation study of surface wave dynamics at the crystal-melt interface," J. Chem. Phys. 141 (3), 034701 (2014). 10.1063/1.4886806
-
(2014)
J. Chem. Phys.
, vol.141
, Issue.3
-
-
Benet, J.1
MacDowell, L.G.2
Sanz, E.3
-
68
-
-
84907943432
-
A study of the ice-water interface using the TIP4P/2005 water model
-
J. Benet, L. G. MacDowell, and E. Sanz, " A study of the ice-water interface using the TIP4P/2005 water model," Phys. Chem. Chem. Phys. 16, 22159-22166 (2014). 10.1039/C4CP03398A
-
(2014)
Phys. Chem. Chem. Phys.
, vol.16
, pp. 22159-22166
-
-
Benet, J.1
MacDowell, L.G.2
Sanz, E.3
-
69
-
-
1542426158
-
Numerical prediction of absolute crystallization rates in hard-sphere colloids
-
S. Auer and D. Frenkel, " Numerical prediction of absolute crystallization rates in hard-sphere colloids," J. Chem. Phys. 120, 3015 (2004). 10.1063/1.1638740
-
(2004)
J. Chem. Phys.
, vol.120
, pp. 3015
-
-
Auer, S.1
Frenkel, D.2
-
70
-
-
52349086014
-
Accurate determination of crystal structures based on averaged local bond order parameters
-
W. Lechner and C. Dellago, " Accurate determination of crystal structures based on averaged local bond order parameters," J. Chem. Phys. 129 (11), 114707 (2008). 10.1063/1.2977970
-
(2008)
J. Chem. Phys.
, vol.129
, Issue.11
-
-
Lechner, W.1
Dellago, C.2
-
71
-
-
81155149170
-
Structural transformation in supercooled water controls the crystallization rate of ice
-
E. B. Moore and V. Molinero, " Structural transformation in supercooled water controls the crystallization rate of ice," Nature 479 (7374), 506-508 (2011). 10.1038/nature10586
-
(2011)
Nature
, vol.479
, Issue.7374
, pp. 506-508
-
-
Moore, E.B.1
Molinero, V.2
-
72
-
-
0035844532
-
Method for computing the anisotropy of the solid-liquid interfacial free energy
-
J. J. Hoyt, M. Asta, and A. Karma, " Method for computing the anisotropy of the solid-liquid interfacial free energy," Phys. Rev. Lett. 86, 5530-5533 (2001). 10.1103/PhysRevLett.86.5530
-
(2001)
Phys. Rev. Lett.
, vol.86
, pp. 5530-5533
-
-
Hoyt, J.J.1
Asta, M.2
Karma, A.3
-
73
-
-
36549095815
-
Molecular dynamics investigation of the crystal-fluid interface. VI. Excess surface free energies of crystal-liquid systems
-
J. Q. Broughton and G. H. Gilmer, " Molecular dynamics investigation of the crystal-fluid interface. VI. Excess surface free energies of crystal-liquid systems," J. Chem. Phys. 84 (10), 5759-5768 (1986). 10.1063/1.449884
-
(1986)
J. Chem. Phys.
, vol.84
, Issue.10
, pp. 5759-5768
-
-
Broughton, J.Q.1
Gilmer, G.H.2
-
74
-
-
84988523445
-
Phase diagram of supercooled water confined to hydrophilic nanopores
-
D. T. Limmer and D. Chandler, " Phase diagram of supercooled water confined to hydrophilic nanopores," J. Chem. Phys. 137 (4), 044509 (2012). 10.1063/1.4737907
-
(2012)
J. Chem. Phys.
, vol.137
, Issue.4
-
-
Limmer, D.T.1
Chandler, D.2
-
75
-
-
0042378882
-
The anisotropic free energy of the Lennard-Jones crystal-melt interface
-
J. R. Morris and X. Song, " The anisotropic free energy of the Lennard-Jones crystal-melt interface," J. Chem. Phys. 119, 3920 (2003). 10.1063/1.1591725
-
(2003)
J. Chem. Phys.
, vol.119
, pp. 3920
-
-
Morris, J.R.1
Song, X.2
-
76
-
-
33748560539
-
The anisotropic hard-sphere crystal-melt interfacial free energy from fluctuations
-
R. L. Davidchack, J. R. Morris, and B. B. Laird, " The anisotropic hard-sphere crystal-melt interfacial free energy from fluctuations," J. Chem. Phys. 125, 094710 (2006). 10.1063/1.2338303
-
(2006)
J. Chem. Phys.
, vol.125
-
-
Davidchack, R.L.1
Morris, J.R.2
Laird, B.B.3
-
77
-
-
78650691225
-
Hard spheres revisited: Accurate calculation of the solid-liquid interfacial free energy
-
R. L. Davidchack, " Hard spheres revisited: Accurate calculation of the solid-liquid interfacial free energy," J. Chem. Phys. 133 (23), 234701 (2010). 10.1063/1.3514144
-
(2010)
J. Chem. Phys.
, vol.133
, Issue.23
-
-
Davidchack, R.L.1
-
78
-
-
84961289250
-
Crystal-liquid interfacial free energy of hard spheres via a thermodynamic integration scheme
-
R. Benjamin and J. Horbach, " Crystal-liquid interfacial free energy of hard spheres via a thermodynamic integration scheme," Phys. Rev. E 91, 032410 (2015). 10.1103/PhysRevE.91.032410
-
(2015)
Phys. Rev. e
, vol.91
-
-
Benjamin, R.1
Horbach, J.2
-
79
-
-
84861793164
-
Tension and stiffness of the hard sphere crystal-fluid interface
-
A. Härtel, M. Oettel, R. E. Rozas, S. U. Egelhaaf, J. Horbach, and H. Löwen, " Tension and stiffness of the hard sphere crystal-fluid interface," Phys. Rev. Lett. 108, 226101 (2012). 10.1103/PhysRevLett.108.226101
-
(2012)
Phys. Rev. Lett.
, vol.108
-
-
Härtel, A.1
Oettel, M.2
Rozas, R.E.3
Egelhaaf, S.U.4
Horbach, J.5
Löwen, H.6
-
80
-
-
0030806177
-
Enhancement of protein crystal nucleation by critical density fluctuations
-
P. R. ten Wolde and D. Frenkel, " Enhancement of protein crystal nucleation by critical density fluctuations," Science 277, 1975 (1997). 10.1126/science.277.5334.1975
-
(1997)
Science
, vol.277
, pp. 1975
-
-
Ten Wolde, P.R.1
Frenkel, D.2
-
81
-
-
23944515586
-
Structure of hard-sphere fluid and precursor structures to crystallization
-
B. OMalley and I. Snook, " Structure of hard-sphere fluid and precursor structures to crystallization," J. Chem. Phys. 123 (5), 054511 (2005). 10.1063/1.1992475
-
(2005)
J. Chem. Phys.
, vol.123
, Issue.5
-
-
OMalley, B.1
Snook, I.2
-
82
-
-
33646387980
-
Two-step crystallization kinetics in colloidal hard-sphere systems
-
H. J. Schöpe, G. Bryant, and W. van Megen, " Two-step crystallization kinetics in colloidal hard-sphere systems," Phys. Rev. Lett. 96, 175701 (2006). 10.1103/PhysRevLett.96.175701
-
(2006)
Phys. Rev. Lett.
, vol.96
-
-
Schöpe, H.J.1
Bryant, G.2
Van Megen, W.3
-
83
-
-
77956540365
-
Formation of a crystal nucleus from liquid
-
T. Kawasaki and H. Tanaka, " Formation of a crystal nucleus from liquid," Proc. Natl. Acad. Sci. U. S. A. 107 (32), 14036-14041 (2010). 10.1073/pnas.1001040107
-
(2010)
Proc. Natl. Acad. Sci. U. S. A.
, vol.107
, Issue.32
, pp. 14036-14041
-
-
Kawasaki, T.1
Tanaka, H.2
-
84
-
-
77954391884
-
Precursor-mediated crystallization process in suspensions of hard spheres
-
T. Schilling, H. J. Schöpe, M. Oettel, G. Opletal, and I. Snook, " Precursor-mediated crystallization process in suspensions of hard spheres," Phys. Rev. Lett. 105, 025701 (2010). 10.1103/PhysRevLett.105.025701
-
(2010)
Phys. Rev. Lett.
, vol.105
-
-
Schilling, T.1
Schöpe, H.J.2
Oettel, M.3
Opletal, G.4
Snook, I.5
-
85
-
-
11744368990
-
Nucleation of Lennar-Jones fluids: A density functional approach
-
Y. C. Shen and D. W. Oxtoby, " Nucleation of Lennar-Jones fluids: A density functional approach," J. Chem. Phys. 105 (15), 6517-6524 (1996). 10.1063/1.472461
-
(1996)
J. Chem. Phys.
, vol.105
, Issue.15
, pp. 6517-6524
-
-
Shen, Y.C.1
Oxtoby, D.W.2
-
86
-
-
33144468055
-
Theoretical evidence for a dense fluid precursor to crystallization
-
J. F. Lutsko and G. Nicolis, " Theoretical evidence for a dense fluid precursor to crystallization," Phys. Rev. Lett. 96, 046102 (2006). 10.1103/PhysRevLett.96.046102
-
(2006)
Phys. Rev. Lett.
, vol.96
-
-
Lutsko, J.F.1
Nicolis, G.2
-
87
-
-
77952828386
-
Structural origin of dynamic heterogeneity in three-dimensional colloidal glass formers and its link to crystal nucleation
-
T. Kawasaki and H. Tanaka, " Structural origin of dynamic heterogeneity in three-dimensional colloidal glass formers and its link to crystal nucleation," J. Phys.: Condens. Matter 22 (23), 232102 (2010). 10.1088/0953-8984/22/23/232102
-
(2010)
J. Phys.: Condens. Matter
, vol.22
, Issue.23
-
-
Kawasaki, T.1
Tanaka, H.2
-
88
-
-
84864136060
-
The microscopic pathway to crystallization in supercooled liquids
-
J. Russo and H. Tanaka, " The microscopic pathway to crystallization in supercooled liquids," Sci. Rep. 2, 505 (2012). 10.1038/srep00505
-
(2012)
Sci. Rep.
, vol.2
, pp. 505
-
-
Russo, J.1
Tanaka, H.2
|