-
1
-
-
32644460281
-
Fabrication of complex three-dimensional nanostructures from self-assembling block copolymer materials on two-dimensional chemically patterned templates with mismatched symmetry
-
Daoulas K.C., Müller M., Stoykovich M.P., Park S.M., Papakonstantopoulos Y.J., de Pablo J.J., Nealey P.F., Solak H.H. Fabrication of complex three-dimensional nanostructures from self-assembling block copolymer materials on two-dimensional chemically patterned templates with mismatched symmetry. Phys. Rev. Lett. 2006, 96:36-104.
-
(2006)
Phys. Rev. Lett.
, vol.96
, pp. 36-104
-
-
Daoulas, K.C.1
Müller, M.2
Stoykovich, M.P.3
Park, S.M.4
Papakonstantopoulos, Y.J.5
de Pablo, J.J.6
Nealey, P.F.7
Solak, H.H.8
-
2
-
-
33750990818
-
Single chain in mean field simulations: quasi-instantaneous field approximation and quantitative comparison with monte carlo simulations
-
Daoulas K.C., Müller M. Single chain in mean field simulations: quasi-instantaneous field approximation and quantitative comparison with monte carlo simulations. J. Chem. Phys. 2006, 125:184-904.
-
(2006)
J. Chem. Phys.
, vol.125
, pp. 184-904
-
-
Daoulas, K.C.1
Müller, M.2
-
3
-
-
17644389164
-
Phase separation in binary mixtures containing polymers: a quantitative comparison of single-chain-in-mean-field simulations and computer simulations of the corresponding multichain systems
-
Müller M., Smith G.D. Phase separation in binary mixtures containing polymers: a quantitative comparison of single-chain-in-mean-field simulations and computer simulations of the corresponding multichain systems. J. Polym. Sci. Part B: Polym. Phys. 2005, 43(8):934-958.
-
(2005)
J. Polym. Sci. Part B: Polym. Phys.
, vol.43
, Issue.8
, pp. 934-958
-
-
Müller, M.1
Smith, G.D.2
-
4
-
-
0036778702
-
A coupled atomistic/continuum model of defects in solids
-
Shilkrot L.E., Curtin W.A., Miller R.E. A coupled atomistic/continuum model of defects in solids. J. Mech. Phys. Solids 2002, 50(10):2085-2106.
-
(2002)
J. Mech. Phys. Solids
, vol.50
, Issue.10
, pp. 2085-2106
-
-
Shilkrot, L.E.1
Curtin, W.A.2
Miller, R.E.3
-
5
-
-
1442285900
-
Multiscale plasticity modeling: coupled atomistics and discrete location mechanics
-
Shilkrot L.E., Miller R.E., Curtin W.A. Multiscale plasticity modeling: coupled atomistics and discrete location mechanics. J. Mech. Phys. Solids 2004, 52(4):755-787.
-
(2004)
J. Mech. Phys. Solids
, vol.52
, Issue.4
, pp. 755-787
-
-
Shilkrot, L.E.1
Miller, R.E.2
Curtin, W.A.3
-
6
-
-
0030158774
-
Quasicontinuum analysis of defects in solids
-
Tadmor E.B., Ortiz M., Phillips R. Quasicontinuum analysis of defects in solids. Philos. Mag. A 1996, 73(6):1529-1563.
-
(1996)
Philos. Mag. A
, vol.73
, Issue.6
, pp. 1529-1563
-
-
Tadmor, E.B.1
Ortiz, M.2
Phillips, R.3
-
7
-
-
1842746029
-
Coupling methods for continuum model with molecular model
-
Belytschko T., Xiao S.P. Coupling methods for continuum model with molecular model. Int. J. Multiscale Comput. Eng. 2003, 1:115-126.
-
(2003)
Int. J. Multiscale Comput. Eng.
, vol.1
, pp. 115-126
-
-
Belytschko, T.1
Xiao, S.P.2
-
8
-
-
34247146274
-
h1 couplings for an overlapping domain decomposition method using lagrange multipliers
-
h1 couplings for an overlapping domain decomposition method using lagrange multipliers. Int. J. Numer. Methods Engrg. 2007, 70:322-350.
-
(2007)
Int. J. Numer. Methods Engrg.
, vol.70
, pp. 322-350
-
-
Guidault, P.A.1
Belytschko, T.2
-
9
-
-
33846920064
-
Coupled quantum mechanical/molecular mechanical modeling of the fracture of defective carbon nanotubes and graphene sheets
-
Khare R., Mielke S.L., Paci J.T., Zhang S., Ballarini R., Schatz G.C., Belytschko T. Coupled quantum mechanical/molecular mechanical modeling of the fracture of defective carbon nanotubes and graphene sheets. Phys. Rev. B 2007, 75:75-412.
-
(2007)
Phys. Rev. B
, vol.75
, pp. 75-412
-
-
Khare, R.1
Mielke, S.L.2
Paci, J.T.3
Zhang, S.4
Ballarini, R.5
Schatz, G.C.6
Belytschko, T.7
-
10
-
-
34249714264
-
A bridging domain and strain computation method for coupled atomistic-continuum modelling of solids
-
Zhang S., Khare R., Lu Q., Belytschko T. A bridging domain and strain computation method for coupled atomistic-continuum modelling of solids. Int. J. Numer. Methods Engrg. 2007, 70:913-933.
-
(2007)
Int. J. Numer. Methods Engrg.
, vol.70
, pp. 913-933
-
-
Zhang, S.1
Khare, R.2
Lu, Q.3
Belytschko, T.4
-
11
-
-
0032311473
-
Problèmes méchaniques multi-échelles: la méthode arlequin
-
Ben Dhia H. Problèmes méchaniques multi-échelles: la méthode arlequin. C.R. Acad. Sci. Ser. II b 1998, 326:899-904.
-
(1998)
C.R. Acad. Sci. Ser. II b
, vol.326
, pp. 899-904
-
-
Ben Dhia, H.1
-
12
-
-
0041869150
-
Analyse mathématique de la méthode arlequin mixte
-
Ben Dhia H., Rateau G. Analyse mathématique de la méthode arlequin mixte. C.R. Acad. Sci. Ser. I 2001, 332:649-654.
-
(2001)
C.R. Acad. Sci. Ser. I
, vol.332
, pp. 649-654
-
-
Ben Dhia, H.1
Rateau, G.2
-
13
-
-
15744378585
-
The Arlequin method as a flexible engineering design tool
-
Ben Dhia H., Rateau G. The Arlequin method as a flexible engineering design tool. Int. J. Numer. Methods Engrg. 2005, 62:1442-1462.
-
(2005)
Int. J. Numer. Methods Engrg.
, vol.62
, pp. 1442-1462
-
-
Ben Dhia, H.1
Rateau, G.2
-
14
-
-
47249120087
-
On the application of the arlequin method to the coupling of particle and continuum models
-
Bauman P.T., Ben Dhia N., Elkhodja H., Oden J.T., Prudhomme S. On the application of the arlequin method to the coupling of particle and continuum models. Comput. Mech. 2008, 42:511-530.
-
(2008)
Comput. Mech.
, vol.42
, pp. 511-530
-
-
Bauman, P.T.1
Ben Dhia, N.2
Elkhodja, H.3
Oden, J.T.4
Prudhomme, S.5
-
15
-
-
58149229283
-
Adaptive multiscale modeling of polymeric materials with Arlequin coupling and goals algorithms
-
Bauman P.T., Oden J.T., Prudhomme S. Adaptive multiscale modeling of polymeric materials with Arlequin coupling and goals algorithms. Comput. Methods Appl. Mech. Engrg. 2009, 198:799-818.
-
(2009)
Comput. Methods Appl. Mech. Engrg.
, vol.198
, pp. 799-818
-
-
Bauman, P.T.1
Oden, J.T.2
Prudhomme, S.3
-
16
-
-
48949088833
-
A stochastic coupling method for atomic-to-continuum monte-carlo simulations
-
Chamoin L., Oden J.T., Prudhomme S. A stochastic coupling method for atomic-to-continuum monte-carlo simulations. Comput. Methods Appl. Mech. Engrg. 2008, 197:3530-3546.
-
(2008)
Comput. Methods Appl. Mech. Engrg.
, vol.197
, pp. 3530-3546
-
-
Chamoin, L.1
Oden, J.T.2
Prudhomme, S.3
-
18
-
-
0037120092
-
Coarse-graining in polymer simulation: From the atomistic to the mesoscopic scale and back
-
Müller-Plathe F. Coarse-graining in polymer simulation: From the atomistic to the mesoscopic scale and back. Chem. Phys. Chem. 2002, 3(9):754-769.
-
(2002)
Chem. Phys. Chem.
, vol.3
, Issue.9
, pp. 754-769
-
-
Müller-Plathe, F.1
-
19
-
-
4043115709
-
Scale-hopping in computer simulations of polymers
-
Müller-Plathe F. Scale-hopping in computer simulations of polymers. Soft Mater. 2003, 1(1):1-31.
-
(2003)
Soft Mater.
, vol.1
, Issue.1
, pp. 1-31
-
-
Müller-Plathe, F.1
-
20
-
-
0042783950
-
Deriving effective mesoscale potentials from atomistic simulations
-
Reith D., Pütz M., Müller-Plathe F. Deriving effective mesoscale potentials from atomistic simulations. J. Comput. Chem. 2003, 24(13):1624-1636.
-
(2003)
J. Comput. Chem.
, vol.24
, Issue.13
, pp. 1624-1636
-
-
Reith, D.1
Pütz, M.2
Müller-Plathe, F.3
-
21
-
-
26844470089
-
Mapping atomistic simulations to mesoscopic models: a systematic coarse-graining procedure for vinyl polymer chains
-
Milano G., Müller-Plathe F. Mapping atomistic simulations to mesoscopic models: a systematic coarse-graining procedure for vinyl polymer chains. J. Phys. Chem. B 2005, 109(39):18-609-18-619.
-
(2005)
J. Phys. Chem. B
, vol.109
, Issue.39
, pp. 18609-18619
-
-
Milano, G.1
Müller-Plathe, F.2
-
22
-
-
79955417786
-
Nonperiodic stochastic boundary conditions for molecular dynamics simulations of materials embedded into a continuum domain
-
108
-
Rahimi M., Karimi-Varzaneh H.A., Böhm M.C., Müller-Plathe F., Pfaller S., Possart G., Steinmann P. Nonperiodic stochastic boundary conditions for molecular dynamics simulations of materials embedded into a continuum domain. J. Chem. Phys. 2011, 134:154. 108.
-
(2011)
J. Chem. Phys.
, vol.134
, pp. 154
-
-
Rahimi, M.1
Karimi-Varzaneh, H.A.2
Böhm, M.C.3
Müller-Plathe, F.4
Pfaller, S.5
Possart, G.6
Steinmann, P.7
-
23
-
-
84862124198
-
A comparison of staggered solution schemes for coupled particle-continuum systems modeled with the arlequin method
-
Pfaller S., Possart G., Steinmann P., Rahimi M., Müller-Plathe F., Böhm M.C. A comparison of staggered solution schemes for coupled particle-continuum systems modeled with the arlequin method. Comput. Mech. 2012, 49:565-579.
-
(2012)
Comput. Mech.
, vol.49
, pp. 565-579
-
-
Pfaller, S.1
Possart, G.2
Steinmann, P.3
Rahimi, M.4
Müller-Plathe, F.5
Böhm, M.C.6
-
24
-
-
61849107389
-
Temperature-transferable coarse-grained potentials for ethylbenzene, polystyrene, and their mixtures
-
Qian H., Carbone P., Chen X., Karimi-Varzaneh H.A., Müller-Plathe F. Temperature-transferable coarse-grained potentials for ethylbenzene, polystyrene, and their mixtures. Macromolecules 2008, 41(24):9919-9929.
-
(2008)
Macromolecules
, vol.41
, Issue.24
, pp. 9919-9929
-
-
Qian, H.1
Carbone, P.2
Chen, X.3
Karimi-Varzaneh, H.A.4
Müller-Plathe, F.5
-
25
-
-
84877347196
-
Influence of surface grafted polymers on the polymer dynamics and the dispersion of nanoparticles in a silica-polystyrene nanocomposite: A coarse-grained molecular dynamics investigation
-
submitted for publication.
-
A. Ghanbari, M. Rahimi, M.C. Böhm, F. Müller-Plathe, Influence of surface grafted polymers on the polymer dynamics and the dispersion of nanoparticles in a silica-polystyrene nanocomposite: A coarse-grained molecular dynamics investigation, submitted for publication.
-
-
-
Ghanbari, A.1
Rahimi, M.2
Böhm, M.C.3
Müller-Plathe, F.4
-
26
-
-
79953028417
-
Ibisco: A molecular dynamics simulation package for coarse-grained simulation
-
Karimi-Varzaneh H.A., Qian H.J., Chen X., Carbone P., Müller-Plathe F. Ibisco: A molecular dynamics simulation package for coarse-grained simulation. J. Comput. Chem. 2011, 32:1475-1487.
-
(2011)
J. Comput. Chem.
, vol.32
, pp. 1475-1487
-
-
Karimi-Varzaneh, H.A.1
Qian, H.J.2
Chen, X.3
Carbone, P.4
Müller-Plathe, F.5
-
27
-
-
84956259119
-
Statistical mechanics of dissipative particle dynamics
-
Español P., Warren P. Statistical mechanics of dissipative particle dynamics. Europhys. Lett. 1995, 30:191.
-
(1995)
Europhys. Lett.
, vol.30
, pp. 191
-
-
Español, P.1
Warren, P.2
-
28
-
-
84950126426
-
Dynamic simulations of hard-sphere suspensions under steady shear
-
Koelman J.M.V.A., Hoogerbrugge P.J. Dynamic simulations of hard-sphere suspensions under steady shear. Europhys. Lett. 1993, 21:363.
-
(1993)
Europhys. Lett.
, vol.21
, pp. 363
-
-
Koelman, J.M.V.A.1
Hoogerbrugge, P.J.2
-
30
-
-
0030379279
-
Meshless methods: an overview and recent developments
-
Belytschko T., Krongauz Y., Organ D., Fleming M., Krysl P. Meshless methods: an overview and recent developments. Comput. Methods Appl. Mech. Engrg. 1996, 139:3-47.
-
(1996)
Comput. Methods Appl. Mech. Engrg.
, vol.139
, pp. 3-47
-
-
Belytschko, T.1
Krongauz, Y.2
Organ, D.3
Fleming, M.4
Krysl, P.5
-
31
-
-
84863770820
-
Mechanical behavior and interphase structure in a silica-polystyrene nanocomposite under uniaxial deformation
-
Rahimi M., Iriarte-Carretero I., Ghanbari A., Böhm M.C., Müller-Plathe F. Mechanical behavior and interphase structure in a silica-polystyrene nanocomposite under uniaxial deformation. Nanotechnology 2012, 23:305-702.
-
(2012)
Nanotechnology
, vol.23
, pp. 305-702
-
-
Rahimi, M.1
Iriarte-Carretero, I.2
Ghanbari, A.3
Böhm, M.C.4
Müller-Plathe, F.5
-
32
-
-
9744240388
-
Molecular dynamics simulation of uniaxial deformation of glassy amorphous atactic polystyrene
-
Lyulin A.V., Balabaev N.K., Mazo M.A., Michels M.A.J. Molecular dynamics simulation of uniaxial deformation of glassy amorphous atactic polystyrene. Macromolecules 2004, 37(23):8785-8793.
-
(2004)
Macromolecules
, vol.37
, Issue.23
, pp. 8785-8793
-
-
Lyulin, A.V.1
Balabaev, N.K.2
Mazo, M.A.3
Michels, M.A.J.4
-
33
-
-
0027554129
-
Contribution of entanglements to the mechanical properties of carbon black-filled polymer networks
-
Heinrich G., Vilgis T.A. Contribution of entanglements to the mechanical properties of carbon black-filled polymer networks. Macromolecules 1993, 26(5):1109-1119.
-
(1993)
Macromolecules
, vol.26
, Issue.5
, pp. 1109-1119
-
-
Heinrich, G.1
Vilgis, T.A.2
-
34
-
-
0042325722
-
Elastic properties of polymer networks
-
Everaers R., Kremer K. Elastic properties of polymer networks. J. Mol. Model. 1996, 2:293-299.
-
(1996)
J. Mol. Model.
, vol.2
, pp. 293-299
-
-
Everaers, R.1
Kremer, K.2
-
35
-
-
84855691457
-
Interphase structure in silica-polystyrene nanocomposites: a coarse-grained molecular dynamics study
-
Ghanbari A., Ndoro T.V.M., Leroy F., Rahimi M., Böhm M.C., Müller-Plathe F. Interphase structure in silica-polystyrene nanocomposites: a coarse-grained molecular dynamics study. Macromolecules 2011, 45:572-584.
-
(2011)
Macromolecules
, vol.45
, pp. 572-584
-
-
Ghanbari, A.1
Ndoro, T.V.M.2
Leroy, F.3
Rahimi, M.4
Böhm, M.C.5
Müller-Plathe, F.6
-
36
-
-
0038400062
-
Dual-resolution coarse-grained simulation of the bisphenol-a-polycarbonate/nickel interface
-
Abrams C.F., Delle Site L., Kremer K. Dual-resolution coarse-grained simulation of the bisphenol-a-polycarbonate/nickel interface. Phys. Rev. E 2003, 67:21-807.
-
(2003)
Phys. Rev. E
, vol.67
, pp. 21-807
-
-
Abrams, C.F.1
Delle Site, L.2
Kremer, K.3
-
38
-
-
62349117444
-
Effective control of the transport coefficients of a coarse-grained liquid and polymer models using the dissipative particle dynamics and lowe-andersen equations of motion
-
Qian H.J., Liew C.C., Müller-Plathe F. Effective control of the transport coefficients of a coarse-grained liquid and polymer models using the dissipative particle dynamics and lowe-andersen equations of motion. Phys. Chem. Chem. Phys. 2009, 11:1962.
-
(2009)
Phys. Chem. Chem. Phys.
, vol.11
, pp. 1962
-
-
Qian, H.J.1
Liew, C.C.2
Müller-Plathe, F.3
|