Structure and dynamics of Lennard-Jones clusters with impurities

1989 ◽  
Vol 12 (1-4) ◽  
pp. 81-83 ◽  
Author(s):  
I. L. Garz�n ◽  
X. P. Long ◽  
R. Kawai ◽  
J. H. Weare
Keyword(s):  
Lennard Jones ◽  
Structure And Dynamics

scholarly journals Variation along liquid isomorphs of the driving force for crystallization

2017 ◽  
Vol 2 (3) ◽  
Author(s):  
Ulf Pedersen ◽  
Karolina Adrjanowicz ◽  
Kristine Niss ◽  
Nicholas Bailey
Keyword(s):  
Experimental Data ◽  
Relaxation Time ◽  
Driving Force ◽  
Supercooled Liquid ◽  
Scaling Exponent ◽  
Dimethyl Phthalate ◽  
Molecular Liquids ◽  
Lennard Jones ◽  
Structure And Dynamics ◽  
Increasing Function

We investigate the variation of the driving force for crystallization of a supercooled liquid along isomorphs, curves along which structure and dynamics are invariant. The variation is weak, and can be predicted accurately for the Lennard-Jones fluid using a recently developed formalism and data at a reference temperature. More general analysis allows interpretation of experimental data for molecular liquids such as dimethyl phthalate and indomethacin, and suggests that the isomorph scaling exponent \gammaγ in these cases is an increasing function of density, although this cannot be seen in measurements of viscosity or relaxation time.

Structure and dynamics of Lennard-Jones clusters with impurities

1989 ◽  
pp. 81-83
Author(s):  
I. L. Garzón ◽  
X. P. Long ◽  
R. Kawai ◽  
J. H. Weare
Keyword(s):  
Lennard Jones ◽  
Structure And Dynamics

scholarly journals Structure and dynamics of water confined in cylindrical nanopores with varying hydrophobicity

2021 ◽  
Vol 379 (2208) ◽  
pp. 20200403 ◽  
Author(s):  
Antonio Tinti ◽  
Gaia Camisasca ◽  
Alberto Giacomello
Keyword(s):  
Structural Features ◽  
Nanoporous Materials ◽  
Dynamics Simulation ◽  
Generic Model ◽  
Confined Water ◽  
Core Domain ◽  
Biologically Relevant ◽  
Lennard Jones ◽  
Structure And Dynamics ◽  
Dynamical Features

We report a detailed study of the main structural and dynamical features of water confined in model Lennard–Jones nanopores with tunable hydrophobicity and finite length ( L = 26 Å). The generic model of cylindrical confinement used is able to reproduce the wetting features of a large class of technologically and biologically relevant systems spanning from crystalline nanoporous materials, to mesoporous silica and ion channels. The aim of this work is to discuss the influence of parameters such as wall hydrophobicity, temperature, and pore size on the structural and dynamical features of confined water. Our simulation campaign confirmed the existence of a core domain in which water displays bulk-like structural features even in extreme ( R = 7.0  Å) confinement, while dynamical properties were shown to depend non-trivially on the size and hydrophobicity of the pores. This article is part of the theme issue ‘Progress in mesoscale methods for fluid dynamics simulation’.

scholarly journals Structure and dynamics of the Lennard-Jones fcc-solid focusing on melting precursors

2020 ◽  
Vol 153 (10) ◽  
pp. 104506
Author(s):  
Peter Mausbach ◽  
Robin Fingerhut ◽  
Jadran Vrabec
Keyword(s):  
Lennard Jones ◽  
Structure And Dynamics

Nucleosome dynamics

2006 ◽  
Vol 73 ◽  
pp. 109-119 ◽  
Author(s):  
Chris Stockdale ◽  
Michael Bruno ◽  
Helder Ferreira ◽  
Elisa Garcia-Wilson ◽  
Nicola Wiechens ◽  
...  
Keyword(s):  
High Resolution ◽  
Chromatin Structure ◽  
Current Knowledge ◽  
Dynamic Properties ◽  
Structure And Dynamics ◽  
Nucleosome Dynamics ◽  
Sharp Focus ◽  
Recent Advances ◽  
Insight Into ◽  
Chromatin Structure And Dynamics

In the 30 years since the discovery of the nucleosome, our picture of it has come into sharp focus. The recent high-resolution structures have provided a wealth of insight into the function of the nucleosome, but they are inherently static. Our current knowledge of how nucleosomes can be reconfigured dynamically is at a much earlier stage. Here, recent advances in the understanding of chromatin structure and dynamics are highlighted. The ways in which different modes of nucleosome reconfiguration are likely to influence each other are discussed, and some of the factors likely to regulate the dynamic properties of nucleosomes are considered.

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