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Items: 1 to 20 of 145

1.

Computational study of nanoparticle dispersion and spatial distribution in polymer matrix under oscillatory shear flow.

Chen Y, Liu L, Yang Q, Wen S, Zhang L, Zhong C.

Langmuir. 2013 Nov 12;29(45):13932-42. doi: 10.1021/la4028496. Epub 2013 Oct 29.

PMID:
24125041
2.

Nanoparticle dispersion and aggregation in polymer nanocomposites: insights from molecular dynamics simulation.

Liu J, Gao Y, Cao D, Zhang L, Guo Z.

Langmuir. 2011 Jun 21;27(12):7926-33. doi: 10.1021/la201073m. Epub 2011 May 19.

PMID:
21595451
3.

Dispersion and shear-induced orientation of anisotropic nanoparticle filled polymer nanocomposites: insights from molecular dynamics simulation.

Zheng Z, Wang Z, Wang L, Liu J, Wu Y, Zhang L.

Nanotechnology. 2016 Jul 1;27(26):265704. doi: 10.1088/0957-4484/27/26/265704. Epub 2016 May 19.

PMID:
27196704
4.

Elucidating and tuning the strain-induced non-linear behavior of polymer nanocomposites: a detailed molecular dynamics simulation study.

Shen J, Liu J, Gao Y, Li X, Zhang L.

Soft Matter. 2014 Jul 28;10(28):5099-113. doi: 10.1039/c4sm00233d.

PMID:
24906702
5.

Modulating interfacial attraction of polymer-grafted nanoparticles in melts under shear.

Senses E, Jiao Y, Akcora P.

Soft Matter. 2014 Jul 7;10(25):4464-70. doi: 10.1039/c4sm00460d.

PMID:
24825448
6.

Polymer directed aggregation and dispersion of anisotropic nanoparticles.

Patra TK, Singh JK.

Soft Matter. 2014 Mar 21;10(11):1823-30. doi: 10.1039/c3sm52216d.

PMID:
24652389
7.

Revisiting the dispersion mechanism of grafted nanoparticles in polymer matrix: a detailed molecular dynamics simulation.

Shen J, Liu J, Gao Y, Cao D, Zhang L.

Langmuir. 2011 Dec 20;27(24):15213-22. doi: 10.1021/la203182u. Epub 2011 Nov 17.

PMID:
22040300
8.

Interplay between polymer chain conformation and nanoparticle assembly in model industrial silica/rubber nanocomposites.

Bouty A, Petitjean L, Chatard J, Matmour R, Degrandcourt C, Schweins R, Meneau F, Kwasńiewski P, Boué F, Couty M, Jestin J.

Faraday Discuss. 2016;186:325-43. doi: 10.1039/c5fd00130g.

PMID:
26791776
9.

Coarse-grain molecular dynamics simulations of nanoparticle-polymer melt: dispersion vs. agglomeration.

Patra TK, Singh JK.

J Chem Phys. 2013 Apr 14;138(14):144901. doi: 10.1063/1.4799265.

PMID:
24981543
10.

Polyaniline stabilized magnetite nanoparticle reinforced epoxy nanocomposites.

Gu H, Tadakamalla S, Huang Y, Colorado HA, Luo Z, Haldolaarachchige N, Young DP, Wei S, Guo Z.

ACS Appl Mater Interfaces. 2012 Oct 24;4(10):5613-24. doi: 10.1021/am301529t. Epub 2012 Oct 1.

PMID:
22985210
11.

Controlling the dispersion and orientation of nanorods in polymer melt under shear: coarse-grained molecular dynamics simulation study.

Park JH, Kalra V, Joo YL.

J Chem Phys. 2014 Mar 28;140(12):124903. doi: 10.1063/1.4868986.

PMID:
24697477
12.

Unexpected segmental dynamics in polystyrene-grafted silica nanocomposites.

Lin Y, Liu L, Zhang D, Liu Y, Guan A, Wu G.

Soft Matter. 2016 Oct 19;12(41):8542-8553.

PMID:
27722506
13.

Molecular dynamics simulations of the structural, mechanical and visco-elastic properties of polymer nanocomposites filled with grafted nanoparticles.

Shen J, Liu J, Li H, Gao Y, Li X, Wu Y, Zhang L.

Phys Chem Chem Phys. 2015 Mar 21;17(11):7196-207. doi: 10.1039/c4cp05520a.

PMID:
25690511
14.

Influence of Morphology on the Mechanical Properties of Polymer Nanocomposites Filled with Uniform or Patchy Nanoparticles.

Wang L, Zheng Z, Davris T, Li F, Liu J, Wu Y, Zhang L, Lyulin AV.

Langmuir. 2016 Aug 23;32(33):8473-83. doi: 10.1021/acs.langmuir.6b01049. Epub 2016 Aug 8.

PMID:
27459376
15.

Detailed simulation of the role of functionalized polymer chains on the structural, dynamic and mechanical properties of polymer nanocomposites.

Liu J, Shen J, Gao Y, Zhou H, Wu Y, Zhang L.

Soft Matter. 2014 Nov 28;10(44):8971-84. doi: 10.1039/c4sm02005g.

PMID:
25294566
16.

Model for reversible nanoparticle assembly in a polymer matrix.

Rahedi AJ, Douglas JF, Starr FW.

J Chem Phys. 2008 Jan 14;128(2):024902. doi: 10.1063/1.2815809.

PMID:
18205470
17.

Molecular simulation study of role of polymer-particle interactions in the strain-dependent viscoelasticity of elastomers (Payne effect).

Chen Y, Li Z, Wen S, Yang Q, Zhang L, Zhong C, Liu L.

J Chem Phys. 2014 Sep 14;141(10):104901. doi: 10.1063/1.4894502.

PMID:
25217945
18.

Controlling Interfacial Dynamics: Covalent Bonding versus Physical Adsorption in Polymer Nanocomposites.

Holt AP, Bocharova V, Cheng S, Kisliuk AM, White BT, Saito T, Uhrig D, Mahalik JP, Kumar R, Imel AE, Etampawala T, Martin H, Sikes N, Sumpter BG, Dadmun MD, Sokolov AP.

ACS Nano. 2016 Jul 26;10(7):6843-52. doi: 10.1021/acsnano.6b02501. Epub 2016 Jun 29.

PMID:
27337392
19.
20.

Revealing the toughening mechanism of graphene-polymer nanocomposite through molecular dynamics simulation.

Liu J, Shen J, Zheng Z, Wu Y, Zhang L.

Nanotechnology. 2015 Jul 24;26(29):291003. doi: 10.1088/0957-4484/26/29/291003. Epub 2015 Jul 2.

PMID:
26134132

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