-
1
-
-
0004036594
-
Monte Carlo and molecular dynamics of condensed matter systems
-
Monte Carlo and molecular dynamics of condensed matter systems K Binder G Ciccotti IPS Conference Proceedings 1996, July 3-28 1996 Editrice Compositoria Bologna. Bologna
-
(1996)
-
-
-
2
-
-
0000460784
-
Approximate solution of the Enskog equation far from equilibrium
-
JF Lutsko Approximate solution of the Enskog equation far from equilibrium Phys Rev Lett 78 1997 243 246
-
(1997)
Phys Rev Lett
, vol.78
, pp. 243-246
-
-
Lutsko, JF1
-
3
-
-
0032002664
-
Thermomechanical properties of the WCA-Lennard-Jones model system in its fluid and solid states
-
S Hess M Kroger H Voigt Thermomechanical properties of the WCA-Lennard-Jones model system in its fluid and solid states Physica A 250 1998 58 82 of special interest
-
(1998)
Physica A
, vol.250
, pp. 58-82
-
-
Hess, S1
Kroger, M2
Voigt, H3
-
4
-
-
0031146080
-
Shear modulus of fluids and solids
-
S Hess M Kroger WG Hoover Shear modulus of fluids and solids Physica A 239 1997 449 466 of special interest
-
(1997)
Physica A
, vol.239
, pp. 449-466
-
-
Hess, S1
Kroger, M2
Hoover, WG3
-
5
-
-
0000709027
-
Application of transient-time correlation functions to nonequilibrium molecular-dynamics simulations of elongational flow
-
BD Todd Application of transient-time correlation functions to nonequilibrium molecular-dynamics simulations of elongational flow Phys Rev E 56 1997 6723 6728
-
(1997)
Phys Rev E
, vol.56
, pp. 6723-6728
-
-
Todd, BD1
-
6
-
-
0031210666
-
Elongational viscosities from nonequilibrium molecular dynamics simulations of oscillatory elongational flow
-
BD Todd PJ Daivies Elongational viscosities from nonequilibrium molecular dynamics simulations of oscillatory elongational flow J Chem Phys 107 1997 1617 1624 of special interest
-
(1997)
J Chem Phys
, vol.107
, pp. 1617-1624
-
-
Todd, BD1
Daivies, PJ2
-
7
-
-
0037934107
-
A grand canonical ensemble Monte Carlo study of confined planar and homeotropically anchored Gay-Berne films
-
T Gruhn M Schoen A grand canonical ensemble Monte Carlo study of confined planar and homeotropically anchored Gay-Berne films 7 Chem Phys 108 1998 9124 9136
-
(1998)
7 Chem Phys
, vol.108
, pp. 9124-9136
-
-
Gruhn, T1
Schoen, M2
-
8
-
-
0001505833
-
Flow properties of liquid crystal phases of the Gay-Berne fluid
-
S Sarman Flow properties of liquid crystal phases of the Gay-Berne fluid J Chem Phys 108 1998 7909 7916
-
(1998)
J Chem Phys
, vol.108
, pp. 7909-7916
-
-
Sarman, S1
-
9
-
-
0000712352
-
Effects of elongation on the phase behavior of the Gay-Berne fluid
-
JT Brown MP Allen EM del Rio E de Miguel Effects of elongation on the phase behavior of the Gay-Berne fluid Phys Rev E 57 1998 6685 6699
-
(1998)
Phys Rev E
, vol.57
, pp. 6685-6699
-
-
Brown, JT1
Allen, MP2
del Rio, EM3
de Miguel, E4
-
10
-
-
0000412350
-
Molecular dynamics simulations of flexible liquid crystal molecules using a Gay-Berne/Lennard-Jones model
-
MR Wilson Molecular dynamics simulations of flexible liquid crystal molecules using a Gay-Berne/Lennard-Jones model J Chem Phys 107 1997 8654 8663
-
(1997)
J Chem Phys
, vol.107
, pp. 8654-8663
-
-
Wilson, MR1
-
11
-
-
0000393495
-
Computer simulation studies of confined liquid-crystal films
-
GD Wall DJ Cleaver Computer simulation studies of confined liquid-crystal films Phys Rev E 56 1997 4306 4316
-
(1997)
Phys Rev E
, vol.56
, pp. 4306-4316
-
-
Wall, GD1
Cleaver, DJ2
-
12
-
-
0001350701
-
Homeotropic surface anchoring of a Gay-Berne nematic liquid crystal
-
J Stelzer L Longa H-R Trebin Homeotropic surface anchoring of a Gay-Berne nematic liquid crystal Phys Rev E 55 1997 7085 7089
-
(1997)
Phys Rev E
, vol.55
, pp. 7085-7089
-
-
Stelzer, J1
Longa, L2
Trebin, H-R3
-
13
-
-
0000058752
-
Single particle and collective orientational relaxation in an anisotropic liquid near the isotropic-nematic transition
-
A Perera S Ravichandran M Moreau B Bagchi Single particle and collective orientational relaxation in an anisotropic liquid near the isotropic-nematic transition J Chem Phys 106 1997 1280 1283
-
(1997)
J Chem Phys
, vol.106
, pp. 1280-1283
-
-
Perera, A1
Ravichandran, S2
Moreau, M3
Bagchi, B4
-
15
-
-
0343948434
-
Brownian dynamics simulation for suspensions of oblong-particles under shear flow
-
N Mori M Kumagae K Nakamura Brownian dynamics simulation for suspensions of oblong-particles under shear flow Rheol Acta 37 1998 151 157
-
(1998)
Rheol Acta
, vol.37
, pp. 151-157
-
-
Mori, N1
Kumagae, M2
Nakamura, K3
-
16
-
-
0006371509
-
Nonequilibrium molecular dynamics simulations of 3-methylhexane the effect of inter- and intramolecular potential models on simulated viscosity
-
M Lahtela TA Pakkanen Nonequilibrium molecular dynamics simulations of 3-methylhexane the effect of inter- and intramolecular potential models on simulated viscosity J Phys Chem 101 1997 3449 3453
-
(1997)
J Phys Chem
, vol.101
, pp. 3449-3453
-
-
Lahtela, M1
Pakkanen, TA2
-
17
-
-
0031077626
-
Polymer melts under uniaxial elongational flow stress-optical behavior from experiments and NEMD computer simulations
-
M Kroger C Luap R Muller Polymer melts under uniaxial elongational flow stress-optical behavior from experiments and NEMD computer simulations Macromolecules 30 1997 526
-
(1997)
Macromolecules
, vol.30
, pp. 526
-
-
Kroger, M1
Luap, C2
Muller, R3
-
19
-
-
0742327069
-
Molecularsimulation of reentrant corner flow
-
J Koplic JR Banavar Molecularsimulation of reentrant corner flow Phys Rev Lett 78 1997 2116 2119 of special interest
-
(1997)
Phys Rev Lett
, vol.78
, pp. 2116-2119
-
-
Koplic, J1
Banavar, JR2
-
20
-
-
0031168959
-
Investigation of the entanglement network in polymer melts
-
H Voigt Investigation of the entanglement network in polymer melts Appl Rheol 7 1997 105 110
-
(1997)
Appl Rheol
, vol.7
, pp. 105-110
-
-
Voigt, H1
-
21
-
-
0031548692
-
Computer simulations of the static scattering from model polymer blends
-
ST Cui HD Cochran PT Cummings SK Kumar Computer simulations of the static scattering from model polymer blends Macromolecules 30 1997 3375 3382
-
(1997)
Macromolecules
, vol.30
, pp. 3375-3382
-
-
Cui, ST1
Cochran, HD2
Cummings, PT3
Kumar, SK4
-
22
-
-
0031097299
-
Combined Brownian dynamics and spectral simulation of the recovery of polymeric fluids after shear flow
-
TW Bell GH Nyland JJ de Pablo MD Graham Combined Brownian dynamics and spectral simulation of the recovery of polymeric fluids after shear flow Macromolecules 30 1997 1806 1812 of special interest
-
(1997)
Macromolecules
, vol.30
, pp. 1806-1812
-
-
Bell, TW1
Nyland, GH2
de Pablo, JJ3
Graham, MD4
-
23
-
-
0001728278
-
Networklike pattern formation in phase separating polymer solutions a molecular dynamics study
-
A Bhattacharya SD Mahanti A Chakrabarti Networklike pattern formation in phase separating polymer solutions a molecular dynamics study Phys Rev Lett 80 1998 333 336 of outstanding interest
-
(1998)
Phys Rev Lett
, vol.80
, pp. 333-336
-
-
Bhattacharya, A1
Mahanti, SD2
Chakrabarti, A3
-
24
-
-
0031162786
-
On the shape and rheology of linear micelles in dilute solutions
-
W Carl R Makhloufi M Kröger On the shape and rheology of linear micelles in dilute solutions J Phys II 7 1997 931 946
-
(1997)
J Phys II
, vol.7
, pp. 931-946
-
-
Carl, W1
Makhloufi, R2
Kröger, M3
-
25
-
-
0001066197
-
Dynamics of linear and branched alkane melts molecular dynamics test of theory for long time dynamics
-
KS Kostov KF Freed EB Webb M Mondello GS Grest Dynamics of linear and branched alkane melts molecular dynamics test of theory for long time dynamics J Chem Phys 108 1998 9155 9167 of special interest
-
(1998)
J Chem Phys
, vol.108
, pp. 9155-9167
-
-
Kostov, KS1
Freed, KF2
Webb, EB3
Mondello, M4
Grest, GS5
-
26
-
-
0001716310
-
Viscosity calculations of n-alkanes by equilibrium molecular dynamics
-
M Mondello GS Grest Viscosity calculations of n-alkanes by equilibrium molecular dynamics J Chem Phys 106 1997 9327 9336
-
(1997)
J Chem Phys
, vol.106
, pp. 9327-9336
-
-
Mondello, M1
Grest, GS2
-
27
-
-
11744270687
-
Chain motion in an unentangled polyethylene melt a critical test of the rouse model by molecular dynamics simulations and neutron spin echo spectroscopy
-
W Paul GD Smith DY Yoon B Farago Chain motion in an unentangled polyethylene melt a critical test of the rouse model by molecular dynamics simulations and neutron spin echo spectroscopy Phys Rev Lett 80 1998 2346 2349
-
(1998)
Phys Rev Lett
, vol.80
, pp. 2346-2349
-
-
Paul, W1
Smith, GD2
Yoon, DY3
Farago, B4
-
28
-
-
0031354237
-
Static and dynamic properties of a n-C100H2O2 melt from molecular dynamics simulations
-
2 melt from molecular dynamics simulations Macromolecules 30 1997 7772 7780
-
(1997)
Macromolecules
, vol.30
, pp. 7772-7780
-
-
Paul, W1
Smith, GD2
Yoon, DY3
-
29
-
-
0000114219
-
Molecular dynamics simulation of structural formation of short polymer chains
-
S Fujiwara T Sato Molecular dynamics simulation of structural formation of short polymer chains Phys Rev Lett 80 1998 991 994
-
(1998)
Phys Rev Lett
, vol.80
, pp. 991-994
-
-
Fujiwara, S1
Sato, T2
-
30
-
-
0001173276
-
Conformational and rheological dynamics of semiflexible macromolecules undergoing shear flow a nonequilibrium Brownian dynamics study
-
NC Andrews AJ McHugh Conformational and rheological dynamics of semiflexible macromolecules undergoing shear flow a nonequilibrium Brownian dynamics study J Rheol 42 1998 281 305
-
(1998)
J Rheol
, vol.42
, pp. 281-305
-
-
Andrews, NC1
McHugh, AJ2
-
31
-
-
0032338043
-
Configuration biased Monte Carlo and Brownian dynamics simulations of semiflexible polymers in extensional flows
-
NC Andrews AJ McHugh JD Schieber Configuration biased Monte Carlo and Brownian dynamics simulations of semiflexible polymers in extensional flows Macromol Theory Simul 7 1998 19 26
-
(1998)
Macromol Theory Simul
, vol.7
, pp. 19-26
-
-
Andrews, NC1
McHugh, AJ2
Schieber, JD3
-
32
-
-
0031571941
-
Extended ensemble molecular dynamics method for constant strain rate uniaxial deformation of polymer systems
-
Yang Liu DJ Srolovitz AF Yee Extended ensemble molecular dynamics method for constant strain rate uniaxial deformation of polymer systems J Chem Phys 107 1997 4396 4407 of special interest
-
(1997)
J Chem Phys
, vol.107
, pp. 4396-4407
-
-
Liu, Yang1
Srolovitz, DJ2
Yee, AF3
-
33
-
-
0000655280
-
Statistical mechanics of double-stranded semiflexible polymers
-
TB Liverpool K Kremer Statistical mechanics of double-stranded semiflexible polymers Phys Rev Lett 80 1998 405 408 of special interest
-
(1998)
Phys Rev Lett
, vol.80
, pp. 405-408
-
-
Liverpool, TB1
Kremer, K2
-
34
-
-
0031138936
-
Persistence length of weakly charged polyelectrolytes with variable intrinsic stiffness
-
U Micka K Kremer Persistence length of weakly charged polyelectrolytes with variable intrinsic stiffness Europhys Lett 38 1997 279 284
-
(1997)
Europhys Lett
, vol.38
, pp. 279-284
-
-
Micka, U1
Kremer, K2
-
35
-
-
11544307850
-
Collapse of polyelectrolyte macromolecules by counterion condensation and ion pair formation a molecular dynamics simulation study
-
RG Winkler M Gold P Reinecker Collapse of polyelectrolyte macromolecules by counterion condensation and ion pair formation a molecular dynamics simulation study Phys Rev Lett 80 1998 3731 3734
-
(1998)
Phys Rev Lett
, vol.80
, pp. 3731-3734
-
-
Winkler, RG1
Gold, M2
Reinecker, P3
-
36
-
-
0001470703
-
Rheology of “wet” polymer brushes via Brownian dynamics simulation steady vs. oscillatory shear
-
PS Doyle ESG Shaqfeh AP Gast Rheology of “wet” polymer brushes via Brownian dynamics simulation steady vs. oscillatory shear Phys Rev Lett 78 1997 1182 1185
-
(1997)
Phys Rev Lett
, vol.78
, pp. 1182-1185
-
-
Doyle, PS1
Shaqfeh, ESG2
Gast, AP3
-
37
-
-
0032047625
-
Shear deformation of two interpenetrating polymer brushes stochastic dynamics simulation
-
IM Neelov OV Borisov K Binder Shear deformation of two interpenetrating polymer brushes stochastic dynamics simulation J Chem Phys 108 1998 6973 6988
-
(1998)
J Chem Phys
, vol.108
, pp. 6973-6988
-
-
Neelov, IM1
Borisov, OV2
Binder, K3
-
38
-
-
0031075115
-
Semidilute and concentrated polymer solutions near attractive walls dynamic Monte Carlo simulation of density and pressure profiles of a coarse-grained model
-
RB Pandey A Milchev K Binder Semidilute and concentrated polymer solutions near attractive walls dynamic Monte Carlo simulation of density and pressure profiles of a coarse-grained model Macromolecules 30 1997 1194 1204 of outstanding interest
-
(1997)
Macromolecules
, vol.30
, pp. 1194-1204
-
-
Pandey, RB1
Milchev, A2
Binder, K3
-
39
-
-
0032485756
-
Molecular dynamics simulations of polar polymer brushes
-
YN Kaznessis DA Hill EJ Maginn Molecular dynamics simulations of polar polymer brushes Macromolecules 31 1998 3116 3129
-
(1998)
Macromolecules
, vol.31
, pp. 3116-3129
-
-
Kaznessis, YN1
Hill, DA2
Maginn, EJ3
-
40
-
-
0001004386
-
Comparison of shear flow of hexadecane in a confined geometry and in bulk
-
MJ Stevens M Mondello GS Grest ST Cui HD Cochran PT Cummings Comparison of shear flow of hexadecane in a confined geometry and in bulk J Chem Phys 106 1997 7303 7314 of outstanding interest
-
(1997)
J Chem Phys
, vol.106
, pp. 7303-7314
-
-
Stevens, MJ1
Mondello, M2
Grest, GS3
Cui, ST4
Cochran, HD5
Cummings, PT6
-
41
-
-
0032119917
-
Molecular dynamics study of viscoelastic properties of confined oligomer melts
-
A Koike Molecular dynamics study of viscoelastic properties of confined oligomer melts Macromolecules 31 1998 4605 4613 of special interest
-
(1998)
Macromolecules
, vol.31
, pp. 4605-4613
-
-
Koike, A1
-
42
-
-
0031077299
-
Modeling of amorphous polymer surfaces in computer simulation
-
T Hapke A Linke G Patzold DW Heermann Modeling of amorphous polymer surfaces in computer simulation Surf Sci 373 1997 109 124 of special interest
-
(1997)
Surf Sci
, vol.373
, pp. 109-124
-
-
Hapke, T1
Linke, A2
Patzold, G3
Heermann, DW4
-
43
-
-
0031161896
-
Rheology and local structure of thin films confined between thermally corrugated walls
-
M Schoen Rheology and local structure of thin films confined between thermally corrugated walls Physica A 240 1997 328 339
-
(1997)
Physica A
, vol.240
, pp. 328-339
-
-
Schoen, M1
-
44
-
-
4243106197
-
Capillary-wave and chain-length effects at polymer/polymer interfaces
-
M Lacasse GS Grest AJ Levine Capillary-wave and chain-length effects at polymer/polymer interfaces Phys Rev Lett 80 1998 309 312 of special interest
-
(1998)
Phys Rev Lett
, vol.80
, pp. 309-312
-
-
Lacasse, M1
Grest, GS2
Levine, AJ3
-
45
-
-
4243369666
-
Dynamical scaling anomaly for a two dimensional polymer chain in solution
-
SR Shannon TC Choy Dynamical scaling anomaly for a two dimensional polymer chain in solution Phys Rev Lett 79 1997 1455 1458 of outstanding interest
-
(1997)
Phys Rev Lett
, vol.79
, pp. 1455-1458
-
-
Shannon, SR1
Choy, TC2
-
46
-
-
0000339655
-
Computer simulation of shear-induced phase separation and rheology in two-component viscoelastic fluid
-
T Okuzono Computer simulation of shear-induced phase separation and rheology in two-component viscoelastic fluid Mod Phys Lett B 11 1997 379 389
-
(1997)
Mod Phys Lett B
, vol.11
, pp. 379-389
-
-
Okuzono, T1
-
47
-
-
4244184276
-
Crystal growth of the Lennard-Jones (100) surface by means of equilibrium and nonequilibrium molecular dynamics
-
WJ Biels HL Tepper Crystal growth of the Lennard-Jones (100) surface by means of equilibrium and nonequilibrium molecular dynamics Phys Rev Lett 79 1997 5074 5077 of special interest
-
(1997)
Phys Rev Lett
, vol.79
, pp. 5074-5077
-
-
Biels, WJ1
Tepper, HL2
-
48
-
-
0001271765
-
Nonequilibrium molecular dynamics simulation of transport of gas mixtures in nanopores
-
X Lifang MG Sedigh M Sahimi TT Tsotsis Nonequilibrium molecular dynamics simulation of transport of gas mixtures in nanopores Phys Rev Lett 80 1998 3511 3514
-
(1998)
Phys Rev Lett
, vol.80
, pp. 3511-3514
-
-
Lifang, X1
Sedigh, MG2
Sahimi, M3
Tsotsis, TT4
-
49
-
-
0000873516
-
From many monomers to many polymers soft ellipsoid model for polymer melts and mixtures
-
M Murat K Kremer From many monomers to many polymers soft ellipsoid model for polymer melts and mixtures J Chem Phys 108 1998 4340 4348 of outstanding interest
-
(1998)
J Chem Phys
, vol.108
, pp. 4340-4348
-
-
Murat, M1
Kremer, K2
-
50
-
-
0031148470
-
Simulation of viscoelastic flows using Brownian configuration fields
-
MA Hülsen APG van Heel BHAA van der Brule Simulation of viscoelastic flows using Brownian configuration fields J Non-Newtonian Fluid Mech 70 1997 79 101 of special interest
-
(1997)
J Non-Newtonian Fluid Mech
, vol.70
, pp. 79-101
-
-
Hülsen, MA1
van Heel, APG2
van der Brule, BHAA3
-
52
-
-
0041632169
-
Equilibrium and nonequilibrium thermomechanics for an effective pair potential used in smooth particle applied mechanics
-
WG Hoover S Hess Equilibrium and nonequilibrium thermomechanics for an effective pair potential used in smooth particle applied mechanics Physica A 231 1996 425 438
-
(1996)
Physica A
, vol.231
, pp. 425-438
-
-
Hoover, WG1
Hess, S2
-
53
-
-
5844310633
-
Thermodynamic approach to rheological modeling and simulations at the configuration space level of description
-
RJJ Jongschaap AIM Denneman W Conrads Thermodynamic approach to rheological modeling and simulations at the configuration space level of description J Rheol 41 1997 219 235
-
(1997)
J Rheol
, vol.41
, pp. 219-235
-
-
Jongschaap, RJJ1
Denneman, AIM2
Conrads, W3
-
54
-
-
0001637562
-
General projection operator formalism for the dynamics and thermodynamics of complex fluids
-
HC Öttinger General projection operator formalism for the dynamics and thermodynamics of complex fluids Phys Rev E 57 1998 1416 1420 of special interest
-
(1998)
Phys Rev E
, vol.57
, pp. 1416-1420
-
-
Öttinger, HC1
-
55
-
-
0001180798
-
Isomorphic multifractal shear flows for hard disks via adiabatic and isokinetic nonequilibrium molecular dynamics
-
C Dellago WG Hoover HA Posch Isomorphic multifractal shear flows for hard disks via adiabatic and isokinetic nonequilibrium molecular dynamics Phys Rev E 57 1998 4969 4975
-
(1998)
Phys Rev E
, vol.57
, pp. 4969-4975
-
-
Dellago, C1
Hoover, WG2
Posch, HA3
-
56
-
-
0039807360
-
Nonlinear response for time-dependent external fields
-
J Petravic DJ Evans Nonlinear response for time-dependent external fields Phys Rev Lett 78 1997 1199 1202 of special interest
-
(1997)
Phys Rev Lett
, vol.78
, pp. 1199-1202
-
-
Petravic, J1
Evans, DJ2
-
57
-
-
0031247667
-
Simulations of polymer cyclization by Brownian dynamics
-
A Podtelezhnikov A Vologodskii Simulations of polymer cyclization by Brownian dynamics Macromolecules 30 1997 6668 6673
-
(1997)
Macromolecules
, vol.30
, pp. 6668-6673
-
-
Podtelezhnikov, A1
Vologodskii, A2
-
58
-
-
0006254903
-
Brownian dynamics simulation of diffusion-limited polymerization of rodlike molecules anisotropic translation diffusion
-
J Srinivasalu Gupta DV Khakhar Brownian dynamics simulation of diffusion-limited polymerization of rodlike molecules anisotropic translation diffusion J Chem Phys 108 1998 5626 5634
-
(1998)
J Chem Phys
, vol.108
, pp. 5626-5634
-
-
Srinivasalu Gupta, J1
Khakhar, DV2
-
59
-
-
0001349174
-
Validation of molecular dynamics simulation
-
WF van Gunsteren AE Mark Validation of molecular dynamics simulation J Chem Phys 108 1998 6109 6116 of special interest
-
(1998)
J Chem Phys
, vol.108
, pp. 6109-6116
-
-
van Gunsteren, WF1
Mark, AE2
-
60
-
-
84856121788
-
Structural changes and rheology of polymer melts via nonequilibrium molecular dynamics
-
M Kröger W Loose S Hess Structural changes and rheology of polymer melts via nonequilibrium molecular dynamics J Rheol 37 1993 1057 1080
-
(1993)
J Rheol
, vol.37
, pp. 1057-1080
-
-
Kröger, M1
Loose, W2
Hess, S3
-
61
-
-
0000721751
-
Direct measurement of the wave-vector-dependent bending stiffness of freely flickering actin-filaments
-
J Käs H Strey M Bärmann E Sackmann Direct measurement of the wave-vector-dependent bending stiffness of freely flickering actin-filaments Europhys Lett 21 1993 863 865
-
(1993)
Europhys Lett
, vol.21
, pp. 863-865
-
-
Käs, J1
Strey, H2
Bärmann, M3
Sackmann, E4
|