Interfacial assembly of nanorods: smectic alignment and multilayer stacking

Abstract

Large-scale spatial arrangement and orientation ordering of nanorods assembly on substrates is critical for nanodevice fabrication. However, complicated processes and templates or surface modification of nanorods are often required. In...

A stochastic Hamiltonian formulation applied to dissipative particle dynamics

“…The first row denotes all deterministic terms, while the second row includes all stochastic terms. Solutions of the SHF (1) satisfies the stochastic Lagrange-d'Alembert principle (6); see, e.g., [23]. The converse is also true providing the regularity of q and p [29].…”

“…, N, in which the dissipative force F D i (q, p) is given by ( 15) while the conservative force F C i (q, p) and randomness contribution are respectively derived from the Hamiltonians H(q, p), i.e., the total energy (9), and h ij (q, p) defined in (18). It is obvious that the DPD system (20) can also be obtained via the stochastic Lagrange-d'Alembert principle (6). Note that the SHF ( 1) is formally divided by dt on both sides to obtain the system (20), which has been the conventional form of DPD.…”

“…A dissipative particle dynamics (DPD) simulation [1,2] method is a type of coarsegrained molecular simulation method, which has proven to be a powerful tool for investigating fluid events occurring on a wide range of spatio-temporal scales compared to all-atom simulations. Using DPD method, many studies have been conducted for both the statics and dynamics of complex system at the mesoscopic level, such as unique self-assembled structures formed by nanoparticles or polymers [3][4][5][6], mechanical or rheological properties of soft materials [7][8][9], medical materials and biological functions [10][11][12][13], and so forth. Huang et al [4] proposed a method to fabricate various two-dimensional nanostructures using selfassembly of block copolymers and demonstrated it in DPD simulations.…”

Dynamic Processes and Mechanical Properties of Lipid–Nanoparticle Mixtures

“…Because the nanoparticles are amphiphobic in our simulation, at low concentrations, the entropy of nanoparticles dominates; therefore, they tend to disperse in the system. However, owing to the close packing of rod-like lipid chains, the free volume is much greater in the central zone of each layer, providing more space for nanoparticles [62,63]. Localizing nanoparticles in these spaces sacrifices some translational entropy of the nanoparticles but avoids an even larger chain stretching penalty incurred by distributing the nanoparticles throughout the domain (Figures 3b and 6a).…”