Zobrazeno 1 - 10
of 26
pro vyhledávání: '"Dimitrios G, Tsalikis"'
Publikováno v:
Dynamics; Volume 2; Issue 4; Pages: 380-398
Since its introduction, back in the late 1970s, the non-affine or slip parameter, ξ, has been routinely employed by numerous constitutive models as a constant parameter. However, the evidence seems to imply that it should be a function of polymer de
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4b89325e31fc8e9d633fd553aba64d1f
https://hdl.handle.net/20.500.14279/29036
https://hdl.handle.net/20.500.14279/29036
Publikováno v:
ACS macro letters. 7(8)
We present results from detailed, atomistic molecular dynamics (MD) simulations of pure, strictly monodisperse linear and ring poly(ethylene oxide) (PEO) melts under equilibrium and nonequilibrium (shear flow) conditions. The systems examined span th
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::1b2b93a54e5771452710afc869a244f6
https://pubmed.ncbi.nlm.nih.gov/35650965
https://pubmed.ncbi.nlm.nih.gov/35650965
Publikováno v:
Macromolecules. 53:5903-5918
Detailed molecular dynamics (MD) simulations of aqueous solutions of short DNA minicircles ranging in size from 30 to 180 bp were performed for the investigation of the structure and dynamics at an...
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::42c2f5a41cd02ad5760c68d43035d696
https://doi.org/10.1021/acs.macromol.0c00821
https://doi.org/10.1021/acs.macromol.0c00821
Autor:
Stavros D. Peroukidis, Vlasis G. Mavrantzas, Massimo G Noro, Dimitrios G. Tsalikis, Ian P Stott
Publikováno v:
Journal of Chemical Theory and Computation
We address the problem of the quantitative prediction of micelle formation in dilute aqueous solutions of ionic surfactants using sodium dodecyl sulfate (SDS) as a model system through a computational approach that involves three steps: (a) execution
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::49a97f6c390d5c753cff3c4f63d33d30
https://doi.org/10.1021/acs.jctc.0c00229
https://doi.org/10.1021/acs.jctc.0c00229
Publikováno v:
Macromolecules. 53:803-820
Long molecular dynamics simulations are performed for dilute solutions of ring poly(ethylene oxide) (PEO) molecules in matrices of linear PEO chains where we systematically vary the molecular lengt...
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::75a885714cbcb7f0a2d2519bf303511a
https://doi.org/10.1021/acs.macromol.9b02099
https://doi.org/10.1021/acs.macromol.9b02099
Publikováno v:
Polymers, Vol 12, Iss 752, p 752 (2020)
Polymers
Volume 12
Issue 4
Polymers, 12 (4)
Polymers
Volume 12
Issue 4
Polymers, 12 (4)
We present results from a direct statistical analysis of long molecular dynamics (MD) trajectories for the orientational relaxation of individual ring molecules in blends with equivalent linear chains. Our analysis reveals a very broad distribution o
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9e38762c0899046a3cbb4253199f7fbf
https://www.mdpi.com/2073-4360/12/4/752
https://www.mdpi.com/2073-4360/12/4/752
Publikováno v:
ACS Macro Letters. 7:916-920
We present results from detailed, atomistic molecular dynamics (MD) simulations of pure, strictly monodisperse linear and ring poly(ethylene oxide) (PEO) melts under equilibrium and nonequilibrium (shear flow) conditions. The systems examined span th
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::83e92b9214acb329395361d58f082971
https://doi.org/10.1021/acsmacrolett.8b00437
https://doi.org/10.1021/acsmacrolett.8b00437
Autor:
Dimitrios G. Tsalikis, Rossana Pasquino, Dimitris Vlassopoulos, Michael Monkenbusch, Thanasis Koukoulas, Dieter Richter, Wim Pyckhout-Hintzen, Andreas Wischnewski, Vlasis G. Mavrantzas
Publikováno v:
Macromolecules. 50:2565-2584
We present results from very long (on the order of several microseconds) atomistic molecular dynamics (MD) simulations for the density, microscopic structure, conformation, and local and segmental dynamics of pure, strictly monodisperse ring and line
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8b05738d8ca9e9c42dd7ecbbc2d600dc
https://doi.org/10.1021/acs.macromol.6b02495
https://doi.org/10.1021/acs.macromol.6b02495
Publikováno v:
Polymers
Volume 11
Issue 7
Polymers, 11 (7)
Polymers, Vol 11, Iss 7, p 1194 (2019)
Volume 11
Issue 7
Polymers, 11 (7)
Polymers, Vol 11, Iss 7, p 1194 (2019)
We present results for the steady state shear rheology of non-concatenated, unentangled and marginally entangled ring poly(ethylene oxide) (PEO) melts from detailed, atomistic nonequilibrium molecular dynamics (NEMD) simulations, and compare them to
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::75135f5b794111066aadc252c2c89666
Publikováno v:
ACS Macro Letters. 5:755-760
Atomistic configurations of pure, precisely monodisperse ring poly(ethylene oxide) (PEO) melts accumulated in the course of very long molecular dynamics (MD) simulations at T = 413 K and P = 1 atm have been subjected to a detailed geometric analysis
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8c00dcfd2432ddffa7811ac5ad4b4c14
https://doi.org/10.1021/acsmacrolett.6b00259
https://doi.org/10.1021/acsmacrolett.6b00259