Hydrogen motions and the α-relaxation in glass-forming polymers: Molecular dynamics simulation and quasi-elastic neutron scattering results

Pramana ◽  
2004 ◽  
Vol 63 (1) ◽  
pp. 25-32 ◽  
Author(s):  
J. Colmenero ◽  
A. Arbe ◽  
F. Alvarez ◽  
A. Narros ◽  
D. Richter ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Neutron Scattering ◽  
Dynamics Simulation ◽  
Elastic Neutron ◽  
Glass Forming ◽  
Elastic Neutron Scattering

Molecular dynamics simulation of quasi-elastic neutron scattering from the fast ion conductor CuI

1996 ◽  
Vol 226 (1-3) ◽  
pp. 107-112 ◽  
Author(s):  
R.L. McGreevy ◽  
J.X.M. Zheng-Johansson ◽  
I. Ebbsjö
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Neutron Scattering ◽  
Dynamics Simulation ◽  
Elastic Neutron ◽  
Ion Conductor ◽  
Fast Ion Conductor ◽  
Elastic Neutron Scattering ◽  
Fast Ion

Molecular Dynamics of Polyrotaxane in Solution Investigated by Quasi-Elastic Neutron Scattering and Molecular Dynamics Simulation: Sliding Motion of Rings on Polymer

2019 ◽  
Vol 141 (24) ◽  
pp. 9655-9663 ◽  
Author(s):  
Yusuke Yasuda ◽  
Yuta Hidaka ◽  
Koichi Mayumi ◽  
Takeshi Yamada ◽  
Kazushi Fujimoto ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Neutron Scattering ◽  
Dynamics Simulation ◽  
Elastic Neutron ◽  
Sliding Motion ◽  
Elastic Neutron Scattering

Study of the relaxational and vibrational dynamics of bioprotectant glass-forming mixtures by neutron scattering and molecular dynamics simulation

2010 ◽  
Vol 132 (18) ◽  
pp. 184512 ◽  
Author(s):  
S. Magazù ◽  
F. Migliardo ◽  
F. Affouard ◽  
M. Descamps ◽  
M. T. F. Telling
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Neutron Scattering ◽  
Dynamics Simulation ◽  
Vibrational Dynamics ◽  
Glass Forming

Molecular dynamics simulation combined with small‐angle X‐ray/neutron scattering defining solution‐state protein structures

2020 ◽  
Author(s):  
Shang‐Wei Lin ◽  
Kuan‐Hsuan Su ◽  
Yi‐Qi Yeh ◽  
U‐Ser Jeng ◽  
Chun‐Ming Wu ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Neutron Scattering ◽  
Small Angle ◽  
Protein Structures ◽  
Dynamics Simulation ◽  
X Ray ◽  
Solution State

scholarly journals Polymer and Water Dynamics in Poly(vinyl alcohol)/Poly(methacrylate) Networks. A Molecular Dynamics Simulation and Incoherent Neutron Scattering Investigation

Polymers ◽  
2011 ◽  
Vol 3 (4) ◽  
pp. 1805-1832 ◽  
Author(s):  
Gaio Paradossi ◽  
Ivana Finelli ◽  
Francesca Natali ◽  
Mark T. F. Telling ◽  
Ester Chiessi
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Neutron Scattering ◽  
Vinyl Alcohol ◽  
Water Dynamics ◽  
Dynamics Simulation ◽  
Poly Vinyl Alcohol ◽  
Incoherent Neutron Scattering ◽  
Incoherent Neutron

Na ion dynamics in P2-Nax[Ni1/3Ti2/3]O2: a combination of quasi-elastic neutron scattering and first-principles molecular dynamics study

2020 ◽  
Vol 8 (47) ◽  
pp. 25290-25297
Author(s):  
Qian Chen ◽  
Niina H. Jalarvo ◽  
Wei Lai
Keyword(s):  
Molecular Dynamics ◽  
Neutron Scattering ◽  
First Principles ◽  
Md Simulations ◽  
First Principle ◽  
Ion Dynamics ◽  
Elastic Neutron ◽  
Elastic Neutron Scattering ◽  
First Principles Molecular Dynamics

The Na dynamics in P2-Nax[Ni1/3Ti2/3]O2 were investigated through a combination of QENS experiments and first-principle MD simulations.

Investigation of Molecular Dynamics of a PTB7:PCBM Polymer Blend with Quasi-Elastic Neutron Scattering

2020 ◽  
Vol 2 (9) ◽  
pp. 3797-3804
Author(s):  
Dominik Schwaiger ◽  
Wiebke Lohstroh ◽  
Peter Müller-Buschbaum
Keyword(s):  
Molecular Dynamics ◽  
Neutron Scattering ◽  
Polymer Blend ◽  
Elastic Neutron ◽  
Elastic Neutron Scattering
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