Atomic control of layer-by-layer epitaxial growth onSrTiO3(001):Molecular-dynamics simulations

1997 ◽  
Vol 56 (20) ◽  
pp. 13535-13542 ◽  
Author(s):  
Momoji Kubo ◽  
Yasunori Oumi ◽  
Ryuji Miura ◽  
Andras Stirling ◽  
Akira Miyamoto ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Epitaxial Growth ◽  
Layer By Layer ◽  
Dynamics Simulations

scholarly journals Atomistic simulation of PDADMAC/PSS oligoelectrolyte multilayers: overall comparison of tri- and tetra-layer systems

Soft Matter ◽  
2019 ◽  
Vol 15 (46) ◽  
pp. 9437-9451 ◽  
Author(s):  
Pedro A. Sánchez ◽  
Martin Vögele ◽  
Jens Smiatek ◽  
Baofu Qiao ◽  
Marcello Sega ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Aqueous Solutions ◽  
Molecular Dynamics Simulations ◽  
Atomistic Simulation ◽  
Large Scale ◽  
Layer By Layer ◽  
Layer Deposition ◽  
Dynamics Simulations

By employing large-scale molecular dynamics simulations of atomistically resolved oligoelectrolytes in aqueous solutions, we study in detail the first four layer-by-layer deposition cycles of a PDADMAC/PSS oligoelectrolyte multilayer.

scholarly journals Influence of Energy and Temperature in Cluster Coalescence Induced by Deposition

2012 ◽  
Vol 2012 ◽  
pp. 1-7
Author(s):  
J. C. Jiménez-Sáez ◽  
A. M. C. Pérez-Martín ◽  
J. J. Jiménez-Rodríguez
Keyword(s):  
Molecular Dynamics ◽  
Grain Boundary ◽  
Molecular Dynamics Simulations ◽  
Epitaxial Growth ◽  
Projectile Energy ◽  
Influence Of Temperature ◽  
Initial Separation ◽  
Higher Temperature ◽  
Dynamics Simulations ◽  
Final System

Coalescence induced by deposition of different Cu clusters on an epitaxial Co cluster supported on a Cu(001) substrate is studied by constant-temperature molecular dynamics simulations. The degree of epitaxy of the final system increases with increasing separation between the centres of mass of the projectile and target clusters during the collision. Structure, roughness, and epitaxial order of the supported cluster also influence the degree of epitaxy. The effect of energy and temperature is determinant on the epitaxial condition of the coalesced cluster, especially both factors modify the generation, growth and interaction among grains. A higher temperature favours the epitaxial growth for low impact parameters. A higher energy contributes to the epitaxial coalescence for any initial separation between the projectile and target clusters. The influence of projectile energy is notably greater than the influence of temperature since higher energies allow greater and instantaneous atomic reorganizations, so that the number of arisen grains just after the collision becomes smaller. The appearance of grain boundary dislocations is, therefore, a decisive factor in the epitaxial growth of the coalesced cluster.

Effect of Oligonucleotide Length on the Assembly of DNA Materials: Molecular Dynamics Simulations of Layer-by-Layer DNA Films

Langmuir ◽  
2010 ◽  
Vol 26 (22) ◽  
pp. 17339-17347 ◽  
Author(s):  
Abhishek Singh ◽  
Stacy Snyder ◽  
Lillian Lee ◽  
Angus P. R. Johnston ◽  
Frank Caruso ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Layer By Layer ◽  
Dna Materials ◽  
Dna Films ◽  
Dynamics Simulations

Layer-by-layer assembly of nanorods on a microsphere via electrostatic interactions

Soft Matter ◽  
2018 ◽  
Vol 14 (22) ◽  
pp. 4541-4550 ◽  
Author(s):  
Liuyang Zhang ◽  
Lu Zhu ◽  
Steven R. Larson ◽  
Yiping Zhao ◽  
Xianqiao Wang
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Systematic Study ◽  
Electrostatic Interactions ◽  
Coarse Grained ◽  
Layer By Layer ◽  
Equilibrium Behavior ◽  
Lbl Assembly ◽  
Dynamics Simulations ◽  
Layer Assembly

Combining coarse-grained molecular dynamics simulations and experiments, a systematic study on both the dynamics and equilibrium behavior of the layer-by-layer (LbL) assembly of charged nanorods (NRs) onto a charged microsphere (MS) via electrostatic interactions has been carried out.

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