Correlation between morphology and anisotropic transport properties of diblock copolymers melts

Soft Matter ◽  
2019 ◽  
Vol 15 (5) ◽  
pp. 851-859 ◽  
Author(s):  
Mohammed Suliman Alshammasi ◽  
Fernando A. Escobedo
Keyword(s):  
Transport Properties ◽  
Diblock Copolymers ◽  
Molecular Simulations ◽  
Coarse Grained ◽  
Anisotropic Transport

Molecular simulations of coarse-grained diblock copolymers (DBP) were conducted to study the effect of segregation strength and morphology on transport properties.

scholarly journals Introducing Memory in Coarse-Grained Molecular Simulations

2021 ◽  
Author(s):  
Viktor Klippenstein ◽  
Madhusmita Tripathy ◽  
Gerhard Jung ◽  
Friederike Schmid ◽  
Nico F. A. van der Vegt
Keyword(s):  
Molecular Simulations ◽  
Coarse Grained

scholarly journals How proteins open fusion pores: insights from molecular simulations

2020 ◽  
Author(s):  
H. Jelger Risselada ◽  
Helmut Grubmüller
Keyword(s):  
Free Energy ◽  
Fusion Proteins ◽  
Graphics Processing Units ◽  
Fusion Reaction ◽  
Molecular Simulations ◽  
Minimum Free Energy ◽  
Free Energy Calculations ◽  
Coarse Grained ◽  
Fusion Pore ◽  
Graphics Processing

AbstractFusion proteins can play a versatile and involved role during all stages of the fusion reaction. Their roles go far beyond forcing the opposing membranes into close proximity to drive stalk formation and fusion. Molecular simulations have played a central role in providing a molecular understanding of how fusion proteins actively overcome the free energy barriers of the fusion reaction up to the expansion of the fusion pore. Unexpectedly, molecular simulations have revealed a preference of the biological fusion reaction to proceed through asymmetric pathways resulting in the formation of, e.g., a stalk-hole complex, rim-pore, or vertex pore. Force-field based molecular simulations are now able to directly resolve the minimum free-energy path in protein-mediated fusion as well as quantifying the free energies of formed reaction intermediates. Ongoing developments in Graphics Processing Units (GPUs), free energy calculations, and coarse-grained force-fields will soon gain additional insights into the diverse roles of fusion proteins.

Anisotropic transport properties of charge-ordered La 5/8− y Pr y Ca 3/8 MnO 3 ( y = 0.43) film

2015 ◽  
Vol 24 (5) ◽  
pp. 057304
Author(s):  
Yuan-Bo Liu ◽  
Shuan-Hu Wang ◽  
Ji-Rong Sun ◽  
Bao-Gen Shen
Keyword(s):  
Transport Properties ◽  
Anisotropic Transport

Anisotropic transport properties in tiltedc-axis MgB2thin films

2009 ◽  
Vol 23 (2) ◽  
pp. 025012 ◽  
Author(s):  
P Orgiani ◽  
Ke Chen ◽  
Yi Cui ◽  
Qi Li ◽  
V Ferrando ◽  
...  
Keyword(s):  
Transport Properties ◽  
Anisotropic Transport

Anisotropic Transport Properties of Cerium Kondo Compounds

1993 ◽  
pp. 255-264
Author(s):  
A. K. Bhattacharjee ◽  
B. Coqblin ◽  
S. M. M. Evans ◽  
C. Ayache ◽  
P. Haen ◽  
...  
Keyword(s):  
Transport Properties ◽  
Anisotropic Transport

Anisotropic Transport Properties of YBa2Cu3O7−δ Single-Crystal

1995 ◽  
pp. 89-92
Author(s):  
Y. Sato ◽  
I. Terasaki ◽  
S. Miyamoto ◽  
S. Tajima ◽  
S. Tanaka
Keyword(s):  
Single Crystal ◽  
Transport Properties ◽  
Anisotropic Transport

Anisotropic transport properties of the decagonal quasicrystal, Al70Ni15Co15

1996 ◽  
Vol 205-207 ◽  
pp. 17-20 ◽  
Author(s):  
D.G. Naugle ◽  
W.D. Bruton ◽  
K.D.D. Rathnayaka ◽  
A.R. Kortan
Keyword(s):  
Transport Properties ◽  
Decagonal Quasicrystal ◽  
Anisotropic Transport
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