-
1
-
-
0032569809
-
The relationship between liquid, supercooled and glassy water
-
Mishima, O.; Stanley, H. E. The relationship between liquid, supercooled and glassy water Nature 1998, 396, 329-335
-
(1998)
Nature
, vol.396
, pp. 329-335
-
-
Mishima, O.1
Stanley, H.E.2
-
3
-
-
0035905815
-
Relationship between structural order and the anomalies of liquid water
-
Errington, J. R.; Debenedetti, P. G. Relationship between structural order and the anomalies of liquid water Nature 2001, 409, 318-321
-
(2001)
Nature
, vol.409
, pp. 318-321
-
-
Errington, J.R.1
Debenedetti, P.G.2
-
4
-
-
0034644141
-
Configurational entropy and diffusivity of supercooled water
-
Scala, A.; Starr, F. W.; Nave, E. L.; Sciortino, F.; Stanley, H. E. Configurational entropy and diffusivity of supercooled water Nature 2000, 406, 166-169
-
(2000)
Nature
, vol.406
, pp. 166-169
-
-
Scala, A.1
Starr, F.W.2
Nave, E.L.3
Sciortino, F.4
Stanley, H.E.5
-
5
-
-
41349122396
-
Molecular structural order and anomalies in liquid silica
-
Shell, M. S.; Debenedetti, P. G.; Panagiotopoulos, A. Z. Molecular structural order and anomalies in liquid silica Phys. Rev. E 2002, 66, 011202
-
(2002)
Phys. Rev. e
, vol.66
, pp. 011202
-
-
Shell, M.S.1
Debenedetti, P.G.2
Panagiotopoulos, A.Z.3
-
6
-
-
0000948114
-
Comparison of thermodynamic properties of simulated liquid silica and water
-
Poole, P. H.; Hemmati, M.; Angell, C. A. Comparison of thermodynamic properties of simulated liquid silica and water Phys. Rev. Lett. 1997, 79, 2281-2284
-
(1997)
Phys. Rev. Lett.
, vol.79
, pp. 2281-2284
-
-
Poole, P.H.1
Hemmati, M.2
Angell, C.A.3
-
7
-
-
0035828632
-
2 viscosity anomaly in terms of a high temperature density maximum, and other waterlike features
-
2 viscosity anomaly in terms of a high temperature density maximum, and other waterlike features J. Chem. Phys. 2001, 115, 6663-6671
-
(2001)
J. Chem. Phys.
, vol.115
, pp. 6663-6671
-
-
Hemmati, M.1
Moynihan, C.T.2
Angell, C.A.3
-
8
-
-
0036697025
-
Simple view of waterlike anomalies of atomic liquids with directional bonding
-
064202
-
Tanaka, H. Simple view of waterlike anomalies of atomic liquids with directional bonding Phys. Rev. B 2002, 66 064202
-
(2002)
Phys. Rev. B
, vol.66
-
-
Tanaka, H.1
-
9
-
-
33751563306
-
Entropy, diffusivity, and structural order in liquids with waterlike anomalies
-
Sharma, R.; Chakraborty, S. N.; Chakravarty, C. Entropy, diffusivity, and structural order in liquids with waterlike anomalies J. Chem. Phys. 2006, 125, 204501
-
(2006)
J. Chem. Phys.
, vol.125
, pp. 204501
-
-
Sharma, R.1
Chakraborty, S.N.2
Chakravarty, C.3
-
11
-
-
37149051453
-
Waterlike structural and excess entropy anomalies in liquid beryllium fluoride
-
Agarwal, M.; Chakravarty, C. Waterlike structural and excess entropy anomalies in liquid beryllium fluoride J. Phys. Chem. B 2007, 111, 13294-13300
-
(2007)
J. Phys. Chem. B
, vol.111
, pp. 13294-13300
-
-
Agarwal, M.1
Chakravarty, C.2
-
12
-
-
64949181212
-
Relationship between structure, entropy, and mobility in network-forming ionic melts
-
Agarwal, M.; Chakravarty, C. Relationship between structure, entropy, and mobility in network-forming ionic melts Phys. Rev. E. 2009, 79, 030202
-
(2009)
Phys. Rev. E.
, vol.79
, pp. 030202
-
-
Agarwal, M.1
Chakravarty, C.2
-
13
-
-
65249097326
-
Water modeled as an intermediate element between carbon and silicon
-
Molinero, V.; Moore, E. B. Water modeled as an intermediate element between carbon and silicon J. Phys. Chem. B 2009, 113, 4008-4016
-
(2009)
J. Phys. Chem. B
, vol.113
, pp. 4008-4016
-
-
Molinero, V.1
Moore, E.B.2
-
14
-
-
0242495029
-
Liquid-liquid phase transition in supercooled silicon
-
Sastry, S.; Angell, C. A. Liquid-liquid phase transition in supercooled silicon Nature Mat. 2003, 2, 739-743
-
(2003)
Nature Mat.
, vol.2
, pp. 739-743
-
-
Sastry, S.1
Angell, C.A.2
-
15
-
-
0035868314
-
A new interpretation of anomalous properties of water based on Stillinger's postulate
-
Kanno, H.; Yokoyama, H.; Yoshimura, Y. A new interpretation of anomalous properties of water based on Stillinger's postulate J. Phys. Chem. B 2001, 105, 2019-2026
-
(2001)
J. Phys. Chem. B
, vol.105
, pp. 2019-2026
-
-
Kanno, H.1
Yokoyama, H.2
Yoshimura, Y.3
-
16
-
-
0141637310
-
Low-temperature behavior of core-softened models: Water and silica behavior
-
Jagla, E. A. Low-temperature behavior of core-softened models: Water and silica behavior Phys. Rev. E 2001, 63, 061509
-
(2001)
Phys. Rev. e
, vol.63
, pp. 061509
-
-
Jagla, E.A.1
-
17
-
-
27144514658
-
Structural order for one-scale and two-scale potentials
-
Yan, Z.; Buldyrev, S. V.; Giovambattista, N.; Stanley, H. E. Structural order for one-scale and two-scale potentials Phys. Rev. Lett. 2005, 95, 130604
-
(2005)
Phys. Rev. Lett.
, vol.95
, pp. 130604
-
-
Yan, Z.1
Buldyrev, S.V.2
Giovambattista, N.3
Stanley, H.E.4
-
18
-
-
53149111963
-
Gel-forming patchy colloids and network glass formers: Thermodynamic and dynamic analogies
-
Sciortino, F. Gel-forming patchy colloids and network glass formers: thermodynamic and dynamic analogies Eur. Phys. J. B 2008, 64, 505-509
-
(2008)
Eur. Phys. J. B
, vol.64
, pp. 505-509
-
-
Sciortino, F.1
-
19
-
-
54049132945
-
Estimating entropy of liquids from atom-atom radial distribution functions: Silica, beryllium fluoride and water
-
Sharma, R.; Agarwal, M.; Chakravarty, C. Estimating entropy of liquids from atom-atom radial distribution functions: Silica, beryllium fluoride and water Mol. Phys. 2008, 106, 1925-1938
-
(2008)
Mol. Phys.
, vol.106
, pp. 1925-1938
-
-
Sharma, R.1
Agarwal, M.2
Chakravarty, C.3
-
20
-
-
39349093399
-
Waterlike hierarchy of anomalies in a continuous spherical shouldered potential
-
064901
-
de Oliveira, A. B.; Franzese, G.; Netz, P. A.; Barbosa, M. C. Waterlike hierarchy of anomalies in a continuous spherical shouldered potential J. Chem. Phys. 2008, 128 064901
-
(2008)
J. Chem. Phys.
, vol.128
-
-
De Oliveira, A.B.1
Franzese, G.2
Netz, P.A.3
Barbosa, M.C.4
-
21
-
-
33747616445
-
Relationship between thermodynamics and dynamics of supercooled liquids
-
076102
-
Mittal, J.; Errington, J. R.; Truskett, T. M. Relationship between thermodynamics and dynamics of supercooled liquids J. Chem. Phys. 2006, 125 076102
-
(2006)
J. Chem. Phys.
, vol.125
-
-
Mittal, J.1
Errington, J.R.2
Truskett, T.M.3
-
22
-
-
77952390037
-
Erratum: Relationship between thermodynamics and dynamics of supercooled liquids [ J. Chem. Phys. 2006, 125, 076102]
-
2010, 132, 169904
-
Mittal, J.; Errington, J. R.; Truskett, T. M. Erratum: Relationship between thermodynamics and dynamics of supercooled liquids [ J. Chem. Phys. 2006, 125, 076102 ]. J. Chem. Phys. 2010, 132, 169904.
-
J. Chem. Phys.
-
-
Mittal, J.1
Errington, J.R.2
Truskett, T.M.3
-
23
-
-
33749628828
-
Quantitative link between single-particle dynamics and static structure of supercooled liquids
-
Mittal, J.; Errington, J. R.; Truskett, T. M. Quantitative link between single-particle dynamics and static structure of supercooled liquids J. Phys. Chem. B 2006, 110, 18147-18150
-
(2006)
J. Phys. Chem. B
, vol.110
, pp. 18147-18150
-
-
Mittal, J.1
Errington, J.R.2
Truskett, T.M.3
-
24
-
-
33846070594
-
Excess-entropy-based anomalies for a waterlike fluid
-
Errington, J. R.; Truskett, T. M.; Mittal, J. Excess-entropy-based anomalies for a waterlike fluid J. Chem. Phys. 2006, 125, 244502
-
(2006)
J. Chem. Phys.
, vol.125
, pp. 244502
-
-
Errington, J.R.1
Truskett, T.M.2
Mittal, J.3
-
25
-
-
57049085070
-
Relation of water anomalies to the excess entropy
-
Yan, Z.; Buldyrev, S. V.; Stanley, H. E. Relation of water anomalies to the excess entropy Phys. Rev. E. 2008, 78, 051201
-
(2008)
Phys. Rev. E.
, vol.78
, pp. 051201
-
-
Yan, Z.1
Buldyrev, S.V.2
Stanley, H.E.3
-
26
-
-
0000910439
-
Relation between transport coefficients and the internal energy of simple systems
-
Rosenfeld, Y. Relation between transport coefficients and the internal energy of simple systems Phys. Rev. A 1977, 15, 2545-2549
-
(1977)
Phys. Rev. A
, vol.15
, pp. 2545-2549
-
-
Rosenfeld, Y.1
-
27
-
-
0001405921
-
A quasi-universal scaling law for atomic transport in simple fluids
-
Rosenfeld, Y. A quasi-universal scaling law for atomic transport in simple fluids J. Phys. Condens. Matt. 1999, 11, 5415
-
(1999)
J. Phys. Condens. Matt.
, vol.11
, pp. 5415
-
-
Rosenfeld, Y.1
-
28
-
-
0030576260
-
A universal scaling law for atomic diffusion in condensed matter
-
Dzugutov, M. A universal scaling law for atomic diffusion in condensed matter Nature (London) 1996, 381, 137-139
-
(1996)
Nature (London)
, vol.381
, pp. 137-139
-
-
Dzugutov, M.1
-
29
-
-
17044454537
-
Test of the universal scaling law for the diffusion coefficient in liquid metals
-
Hoyt, J. J.; Asta, M.; Sadigh, B. Test of the universal scaling law for the diffusion coefficient in liquid metals Phys. Rev. Lett. 2000, 85, 594-597
-
(2000)
Phys. Rev. Lett.
, vol.85
, pp. 594-597
-
-
Hoyt, J.J.1
Asta, M.2
Sadigh, B.3
-
30
-
-
1242346370
-
The missing term in effective pair potentials
-
Berendsen, H. J. C.; Grigera, J. R.; Straatsma, T. P. The missing term in effective pair potentials J. Phys. Chem. 1987, 91, 6269-6271
-
(1987)
J. Phys. Chem.
, vol.91
, pp. 6269-6271
-
-
Berendsen, H.J.C.1
Grigera, J.R.2
Straatsma, T.P.3
-
31
-
-
0004016501
-
Comparison of simple potential functions for simulating liquid water
-
Jorgensen, W. L.; Chandrasekhar, J.; Madura, J. D.; Impey, R. W.; Klein, M. L. Comparison of simple potential functions for simulating liquid water J. Chem. Phys. 1983, 79, 926-935
-
(1983)
J. Chem. Phys.
, vol.79
, pp. 926-935
-
-
Jorgensen, W.L.1
Chandrasekhar, J.2
Madura, J.D.3
Impey, R.W.4
Klein, M.L.5
-
32
-
-
26944495260
-
Relation between the melting temperature and the temperature of maximum density for the most common models of water
-
Vega, C.; Abascal, J. L. F. Relation between the melting temperature and the temperature of maximum density for the most common models of water J. Chem. Phys. 2005, 123, 144504
-
(2005)
J. Chem. Phys.
, vol.123
, pp. 144504
-
-
Vega, C.1
Abascal, J.L.F.2
-
33
-
-
36749110868
-
Molecular dynamics studies of vitreous state: Simple ionic systems and silica
-
Woodcock, L. V.; Angell, C. A.; Cheeseman, P. Molecular dynamics studies of vitreous state: Simple ionic systems and silica J. Chem. Phys. 1976, 65, 1565-1577
-
(1976)
J. Chem. Phys.
, vol.65
, pp. 1565-1577
-
-
Woodcock, L.V.1
Angell, C.A.2
Cheeseman, P.3
-
34
-
-
11944254490
-
Force fields for silicas and aluminophosphates based on ab initio calculations
-
van Beest, B. W. H.; Kramer, G. J.; van Santen, R. A. Force fields for silicas and aluminophosphates based on ab initio calculations Phys. Rev. Lett. 1990, 64, 1955-1958
-
(1990)
Phys. Rev. Lett.
, vol.64
, pp. 1955-1958
-
-
Van Beest, B.W.H.1
Kramer, G.J.2
Van Santen, R.A.3
-
35
-
-
0001603545
-
DL-POLY: Application to molecular simulation
-
Smith, W.; Yong, C. W.; Rodger, P. M. DL-POLY: Application to molecular simulation Mol. Simul. 2002, 28, 385-471
-
(2002)
Mol. Simul.
, vol.28
, pp. 385-471
-
-
Smith, W.1
Yong, C.W.2
Rodger, P.M.3
-
36
-
-
84906376741
-
Transport properties of tetrahedral, network-forming ionic melts
-
Agarwal, M.; Ganguly, A.; Chakravarty, C. Transport properties of tetrahedral, network-forming ionic melts J. Phys. Chem. B 2009, 15284, 113
-
(2009)
J. Phys. Chem. B
, vol.152
, pp. 113
-
-
Agarwal, M.1
Ganguly, A.2
Chakravarty, C.3
-
37
-
-
27344453990
-
Static and dynamic anomalies in a repulsive spherical ramp liquid: Theory and simulation
-
Kumar, P.; Buldyrev, S. V.; Sciortino, F.; Zaccarelli, E.; Stanley, H. E. Static and dynamic anomalies in a repulsive spherical ramp liquid: Theory and simulation Phys. Rev. E. 2005, 72, 021501
-
(2005)
Phys. Rev. E.
, vol.72
, pp. 021501
-
-
Kumar, P.1
Buldyrev, S.V.2
Sciortino, F.3
Zaccarelli, E.4
Stanley, H.E.5
-
39
-
-
33847046749
-
Free energy of liquid water from a computer simulation via cell theory
-
064504
-
Henchman, R. H. Free energy of liquid water from a computer simulation via cell theory J. Chem. Phys. 2007, 126 064504
-
(2007)
J. Chem. Phys.
, vol.126
-
-
Henchman, R.H.1
-
40
-
-
0001183093
-
Dynamical diagnostics of ergodicity breaking in supercooled liquids
-
Dzugutov, M. Dynamical diagnostics of ergodicity breaking in supercooled liquids J. Phys. Condens. Matt. 1999, 11, A253
-
(1999)
J. Phys. Condens. Matt.
, vol.11
, pp. 253
-
-
Dzugutov, M.1
-
41
-
-
23744462668
-
Nature of the entropy versus self-diffusivity plot for simple liquids
-
034501
-
Kaur, C.; Harbola, U.; Das, S. P. Nature of the entropy versus self-diffusivity plot for simple liquids J. Chem. Phys. 2005, 123 034501
-
(2005)
J. Chem. Phys.
, vol.123
-
-
Kaur, C.1
Harbola, U.2
Das, S.P.3
-
42
-
-
0001501014
-
Dynamics of simulated water under pressure
-
Starr, F. W.; Sciortino, F.; Stanley, H. E. Dynamics of simulated water under pressure Phys. Rev. E 1999, 60, 6757-6768
-
(1999)
Phys. Rev. e
, vol.60
, pp. 6757-6768
-
-
Starr, F.W.1
Sciortino, F.2
Stanley, H.E.3
-
44
-
-
0000116263
-
Direct entropy calculation from computer simulation of liquids
-
Baranyai, A.; Evans, D. J. Direct entropy calculation from computer simulation of liquids Phys. Rev. A 1989, 40, 3817-3822
-
(1989)
Phys. Rev. A
, vol.40
, pp. 3817-3822
-
-
Baranyai, A.1
Evans, D.J.2
-
45
-
-
0001465055
-
Calculation of entropy from multiparticle correlation functions
-
Laird, B. B.; Haymet, A. D. J. Calculation of entropy from multiparticle correlation functions Phys. Rev. A 1992, 45, 5680-5689
-
(1992)
Phys. Rev. A
, vol.45
, pp. 5680-5689
-
-
Laird, B.B.1
Haymet, A.D.J.2
-
46
-
-
67249109482
-
Assessing thermodynamic-dynamic relationships for waterlike liquids
-
Johnson, M. E.; Head-Gordon, T. Assessing thermodynamic-dynamic relationships for waterlike liquids J. Chem. Phys. 2009, 130, 214510
-
(2009)
J. Chem. Phys.
, vol.130
, pp. 214510
-
-
Johnson, M.E.1
Head-Gordon, T.2
-
47
-
-
62349083916
-
Anomalous waterlike behavior in spherically-symmetric water models optimized with the relative entropy
-
Chaimovich, A.; Shell, M. S. Anomalous waterlike behavior in spherically-symmetric water models optimized with the relative entropy Phys. Chem. Chem. Phys. 2009, 11, 1901-1915
-
(2009)
Phys. Chem. Chem. Phys.
, vol.11
, pp. 1901-1915
-
-
Chaimovich, A.1
Shell, M.S.2
-
48
-
-
0000714261
-
Density functional theory and the asymptotic high density expansion of the free energy of classical solids and fluids
-
Roseneld, Y.; Tarazona, P. Density functional theory and the asymptotic high density expansion of the free energy of classical solids and fluids Mol. Phys. 1998, 95, 141-150
-
(1998)
Mol. Phys.
, vol.95
, pp. 141-150
-
-
Roseneld, Y.1
Tarazona, P.2
-
49
-
-
34547209632
-
Entropy, local order, and the freezing transition in morse liquids
-
Chakraborty, S. N.; Chakravarty, C. Entropy, local order, and the freezing transition in morse liquids Phys. Rev. E 2007, 76, 011201
-
(2007)
Phys. Rev. e
, vol.76
, pp. 011201
-
-
Chakraborty, S.N.1
Chakravarty, C.2
-
50
-
-
55349119862
-
Excess entropy scaling of transport properties of Lennard-Jones chains
-
Goel, T.; Patra, C. N.; Mukherjee, T.; Chakravarty, C. Excess entropy scaling of transport properties of Lennard-Jones chains J. Chem. Phys. 2008, 129, 164904
-
(2008)
J. Chem. Phys.
, vol.129
, pp. 164904
-
-
Goel, T.1
Patra, C.N.2
Mukherjee, T.3
Chakravarty, C.4
-
51
-
-
73449085193
-
Pressure-energy correlations in liquids. IV. "isomorphs" in liquid phase diagrams
-
Gnan, N.; Schrø; der, T. B.; Pedersen, U. R.; Bailey, N. P.; Dyre, J. C. Pressure-energy correlations in liquids. IV. "Isomorphs" in liquid phase diagrams J. Chem. Phys. 2009, 131, 234504
-
(2009)
J. Chem. Phys.
, vol.131
, pp. 234504
-
-
Gnan, N.1
Schrø2
der, T.B.3
Pedersen, U.R.4
Bailey, N.P.5
Dyre, J.C.6
-
52
-
-
40749101031
-
Strong Pressure-Energy Correlations in van der Waals Liquids
-
015701
-
Pedersen, U. R.; Bailey, N. P.; Schrøder, T. B.; Dyre, J. C. Strong Pressure-Energy Correlations in van der Waals Liquids Phys. Rev. Lett. 2008, 100 015701
-
(2008)
Phys. Rev. Lett.
, vol.100
-
-
Pedersen, U.R.1
Bailey, N.P.2
Schrøder, T.B.3
Dyre, J.C.4
-
53
-
-
0035826241
-
Supercooled liquids and the glass transition
-
Debendetti, P. G.; Stillinger, F. H. Supercooled liquids and the glass transition Nature 2001, 410, 259-267
-
(2001)
Nature
, vol.410
, pp. 259-267
-
-
Debendetti, P.G.1
Stillinger, F.H.2
-
54
-
-
62649147825
-
Growing length and time scales in glass-forming liquids
-
Karmakar, S.; Dasgupta, C.; Sastry, S. Growing length and time scales in glass-forming liquids Proc. Natl. Acad. Sci. 2009, 106, 3675-3679
-
(2009)
Proc. Natl. Acad. Sci.
, vol.106
, pp. 3675-3679
-
-
Karmakar, S.1
Dasgupta, C.2
Sastry, S.3
-
55
-
-
34547648549
-
Diffusivity, excess entropy and the potential energy landscape of monoatomic liquids
-
014507
-
Chakraborty, S. N.; Chakravarty, C. Diffusivity, Excess Entropy and the Potential Energy Landscape of Monoatomic Liquids J. Chem. Phys. 2006, 124 014507
-
(2006)
J. Chem. Phys.
, vol.124
-
-
Chakraborty, S.N.1
Chakravarty, C.2
-
56
-
-
84906409339
-
-
arXiv:1002.3781v1 [cond-mat.soft]
-
de Oliveira, A. B.; Salcedo, E.; Chakravarty, C.; Barbosa, M. C. Entropy, diffusivity and the energy landscape of a water-like fluid. arXiv:1002.3781v1 [cond-mat.soft].
-
Entropy, Diffusivity and the Energy Landscape of A Water-like Fluid
-
-
De Oliveira, A.B.1
Salcedo, E.2
Chakravarty, C.3
Barbosa, M.C.4
-
57
-
-
0042380193
-
A statistical mechanical model for inverse melting
-
Feeney, M. R.; Debenedetti, P. G.; Stillinger, F. H. A statistical mechanical model for inverse melting J. Chem. Phys. 2003, 119, 4582-4591
-
(2003)
J. Chem. Phys.
, vol.119
, pp. 4582-4591
-
-
Feeney, M.R.1
Debenedetti, P.G.2
Stillinger, F.H.3
-
58
-
-
64549098664
-
Anomalous structure and dynamics of the gaussian-core fluid
-
Krekelberg, W. P.; Kumar, T.; Mittal, J.; Errington, J. R.; Truskett, T. M. Anomalous structure and dynamics of the gaussian-core fluid Phys. Rev. E. 2009, 79, 031203
-
(2009)
Phys. Rev. E.
, vol.79
, pp. 031203
-
-
Krekelberg, W.P.1
Kumar, T.2
Mittal, J.3
Errington, J.R.4
Truskett, T.M.5
-
61
-
-
73649138269
-
Generalized Rosenfeld scalings for tracer diffusivities in not-so-simple fluids: Mixtures and soft particles
-
061205
-
Krekelberg, W. P.; Pond, M. J.; Goel, G.; Shen, V. K.; Errington, J. R.; Truskett, T. M. Generalized Rosenfeld scalings for tracer diffusivities in not-so-simple fluids: Mixtures and soft particles Phys. Rev. E 2009, 80 061205
-
(2009)
Phys. Rev. e
, vol.80
-
-
Krekelberg, W.P.1
Pond, M.J.2
Goel, G.3
Shen, V.K.4
Errington, J.R.5
Truskett, T.M.6
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