Search results for "Cluster size"
showing 7 items of 7 documents
A Hirshfeld partitioning of polarizabilities of water clusters
2006
International audience; A new Hirshfeld partitioning of cluster polarizability into intrinsic polarizabilities and charge delocalization contributions is presented. For water clusters, density-functional theory calculations demonstrate that the total polarizability of a water molecule in a cluster depends upon the number and type of hydrogen bonds the molecule makes with its neighbors. The intrinsic contribution to the molecular polarizability is transferable between water molecules displaying the same H-bond scheme in clusters of different sizes, and geometries, while the charge delocalization contribution also depends on the cluster size. These results could be used to improve the existin…
Assessing the format and content of journal published and non-journal published rapid review reports: A comparative study
2020
Background As production of rapid reviews (RRs) increases in healthcare, knowing how to efficiently convey RR evidence to various end-users is important given they are often intended to directly inform decision-making. Little is known about how often RRs are produced in the published or unpublished domains, and what and how information is structured. Objectives To compare and contrast report format and content features of journal-published (JP) and non-journal published (NJP) RRs. Methods JP RRs were identified from key databases, and NJP RRs were identified from a grey literature search of 148 RR producing organizations and were sampled proportionate to cluster size by organization and pro…
Ferromagnetism in small clusters.
1991
Magnetization of small ferromagnetic clusters at finite temperatures has been studied using the Ising model and Monte Carlo techniques. The magnetization of finite clusters is reduced from the bulk value, and increases with the external magnetic field and with the cluster size. The results explain qualitatively the recent observations by de Heer, Milani, and Chatelain of the reduction with decreasing cluster size of the average magnetic moment in small iron clusters.
Clusters-a New Source for Atomically Engineered Materials
1990
ABSTRACTThe electronic structure and properties of small clusters are strongly dependent on their size. These size specific properties are illustrated by confining the discussion to three different topics (1) interaction of hydrogen with clusters (2) effect of temperature and magnetic field on the magnetization of clusters and (3) reaction of clusters with gas atoms. It is shown that the electronic energy levels that are strongly dependent on cluster size give rise to the size specific electronic properties of clusters. In cluster hydrides certain elements are found to absorb more hydrogen per atom in cluster form than in a crystalline form. The magnetization of clusters increases as a func…
A Functional Magnetic Resonance Imaging Assessment of Small Animals Phobia Using Virtual Reality as a Stimulus
2014
[EN] Background: To date, still images or videos of real animals have been used in functional magnetic resonance imaging protocols to evaluate the brain activations associated with small animals phobia. Objective: The objective of our study was to evaluate the brain activations associated with small animals phobia through the use of virtual environments. This context will have the added benefit of allowing the subject to move and interact with the environment, giving the subject the illusion of being there. Methods: We have analyzed the brain activation in a group of phobic people while they navigated in a virtual environment that included the small animals that were the object of their pho…
Quantitative description of C-60 diffusion on an insulating surface
2010
The diffusion of ${\text{C}}_{60}$ molecules on large, atomically flat terraces of the ${\text{CaF}}_{2}(111)$ surface is studied under ultrahigh vacuum conditions at various substrate temperatures below room temperature. The weak molecule-substrate interaction on this insulating surface makes a direct observation of hopping events difficult. Therefore, to determine a quantitative value of the diffusion barrier, we employ the so-called onset method. This method is based on the analysis of spatial properties of islands created by nucleation of diffusing ${\text{C}}_{60}$ molecules, as measured by noncontact atomic force microscopy. We first determine the critical cluster size to be ${i}^{\en…
Instability of cuboctahedral copper clusters.
1992
Equilibrium structures of copper clusters up to 10 000 atoms are studied using molecular-dynamics and effective-medium theory. Icosahedral closed-shell clusters are most stable up to \ensuremath{\sim}2500 atoms and the Wulff polyhedra are favored for larger clusters. Cuboctahedral closed-shell clusters up to \ensuremath{\sim}2000 atoms are unstable. They undergo a nondiffusive transition to an icosahedral structure at low temperatures and melt directly above the fcc-cluster-melting temperature. The melting temperature decreases with decreasing cluster size but not as deeply as has been reported for pure metals.