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Structural exploration of low-energy Lennard–Jones–Gauss clusters with a genetic algorithm
AbstractThe Lennard–Jones–Gauss (LJG) pair potential has been shown to model structures with diverse symmetric and topological characteristics. This...
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Impurity effects on phase change in Lennard-Jones atomic clusters
In this work, we would like to explore the possibility of studying phase change behaviour in pure Lennard-Jones clusters as well as the effect of...
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Bouncing and spinning of amorphous Lennard-Jones nanoparticles under oblique collisions
Collisions of Lennard-Jones nanoparticles (NPs) may be used to study the generic collision behavior of NPs. We study the collision dynamics of...
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On the Global Minimum of the Classical Potential Energy for Clusters Bound by Many-Body Forces
This note establishes, first of all, the monotonic increase with N of the average K -body energy of classical N -body ground state configurations with
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Clusters
One of theAtomic cluster foremost reasons for studying atomic and molecular clusters is to understand those mechanisms that relate the properties of...
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Two-dimensional few-atom noble gas clusters in a graphene sandwich
The van der Waals atomic solids of noble gases on metals at cryogenic temperatures were the first experimental examples of two-dimensional systems....
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Modeling cell clusters and their near-wall dynamics in shear flow
The studies that compare the metastatic potential of tumor cell clusters in microcirculation to that of single tumor cells show that the clusters...
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Switched diffusion processes for non-convex optimization and saddle points search
We introduce and investigate stochastic processes designed to find local minimizers and saddle points of non-convex functions, exploring the...
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Focusing and rotating magnetic nanoparticle clusters for fast ablation of thrombus
AbstractMagnetic nanoparticles (MNPs)-mediated drug delivery is considered as a promising method of overcoming comprehensive complications induced by...
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Shape-shifters among water clusters
A detailed study of proton-disordered ices and ice-like systems usually includes an estimate of the residual entropy and identification of the...
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Asymptotics of the Spectrum of a Threedimensional Hartree Type Operator Near Upper Boundaries of Spectral Clusters
We consider the eigenproblem for a Hartree type operator with a small parameter at nonlineratiry, where the self-action potential is the difference...
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Trilateration-Based Multilevel Method for Minimizing the Lennard-Jones Potential
Simulating atomic evolution for the mechanics and structure of materials presents an ever-growing challenge due to the huge number of degrees of...
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Symptoms and symptom clusters in patients newly diagnosed with inflammatory bowel disease: results from the IBSEN III Study
BackgroundPatients with inflammatory bowel disease report multiple symptoms, but the relationships among co-occurring symptoms are poorly understood....
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Adhesive Properties of a Droplet on a Partially Wetting Surface
AbstractThis study presents a new theoretical model to analyze the adhesive properties of a droplet resting on a partially wetting solid surface...
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DFT and Molecular Simulation Study of Gold Clusters as Effective Drug Delivery Systems for 5-Fluorouracil Anticancer Drug
Nowadays, the use of nanomaterials as a delivery system for anticancer drugs is very important. In this paper, first, the electronic and adsorption...
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Controlling the diffusion of bistable active clusters in one-dimensional channels
AbstractA two-cluster system with a bistable potential is constructed in one-dimensional channels. Using molecular dynamics and Monte Carlo methods,...
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On the Identification of Distorted Solid-Like Clusters
The modified rotational invariant method has been used to identify distorted solid-like clusters in disordered media. A new method is proposed to...
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Water Molecules, Small Clusters and Bulk Water
We first perform first-principles calculations for the free individual water molecule H2O and the water dimer (water dimer) (H2O)2 and compare the...
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Water clusters and density fluctuations in liquid water based on extended hierarchical clustering methods
The microscopic structures of liquid water at ambient temperatures remain a hot debate, which relates with structural and density fluctuations in the...
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Collective Motions of Atoms in Crystals
AbstractThe collective motions of atoms in the molecular dynamics model of a classical Lennard-Jones monocrystal are studied in the process of...
