Noble gas clusters as matrices for infrared spectroscopy. From small clusters to the bulk‐matrix limit: SF6Arn, SF6Krn, and SF6Xen with 100≲n≲10 000

1995 ◽  
Vol 102 (6) ◽  
pp. 2302-2314 ◽  
Author(s):  
Sandeep Goyal ◽  
David L. Schutt ◽  
Giacinto Scoles
Keyword(s):  
Infrared Spectroscopy ◽  
Noble Gas ◽  
Bulk Matrix ◽  
Gas Clusters ◽  
Small Clusters

Cluster Molecular Dynamics on Massively Parallel Computers

1992 ◽  
Vol 278 ◽  
Author(s):  
K. M. Nelson ◽  
S. T. Smith ◽  
L. T. Wille
Keyword(s):  
Molecular Dynamics ◽  
Noble Gas ◽  
Equations Of Motion ◽  
Pair Potential ◽  
Parallel Computer ◽  
Massively Parallel ◽  
Massively Parallel Computers ◽  
Gas Clusters ◽  
Element Array ◽  
Small Clusters

AbstractWe report the results of computer simulations of phase transitions in noble-gas clusters. The calculations were performed on a MasPar MP-l massively parallel computer with 8,192 processing elements (PE's). We discuss the efficient implementation of molecular dynamics algorithms for small clusters on this type of architecture. The simulations are based on a classical Lennard-Jones pair potential and follow the temporal evolution of the system by numerically integrating Newton's equations of motion using the Gear algorithm. Because the number of particles is much smaller than the number of PE's, optimal partitioning of the processing element array is an essential and non-trivial task.

Characterization of Nanoclusters in MgO Created by Means of Ion Implantation.

2003 ◽  
Vol 792 ◽  
Author(s):  
M.A. van Huis ◽  
A. van Veen ◽  
H. Schut ◽  
B.J. Kooi ◽  
J.Th.M. De Hosson
Keyword(s):  
Optical Absorption ◽  
Ion Implantation ◽  
Noble Gas ◽  
Optical Absorption Spectroscopy ◽  
Metal Nanoclusters ◽  
Absorption Bands ◽  
Cross Sectional ◽  
Salt Structure ◽  
Scherrer Formula ◽  
Gas Clusters

ABSTRACTMetal nanoclusters (NCs) of lithium, zinc, silver and gold embedded in MgO were created by means of ion implantation of Li, Zn, Ag and Au ions into single crystals of MgO(100) and subsequent thermal annealing. Nanoclusters of the compound semiconductor CdSe were obtained by implantation of both Cd and Se ions. Solid noble gas clusters were formed by Kr ion implantation. Optical and structural properties of the NCs were investigated using optical absorption spectroscopy (OAS), high-resolution X-ray diffraction (XRD) and cross-sectional transmission electron microscopy (XTEM). The mean nanocluster size is estimated from the broadening of the Mie plasmon optical absorption bands using the Doyle formula. These results are compared with the NC size as obtained from XRD (using the Scherrer formula) and from direct XTEM observations. The three methods are found to be in reasonable agreement with a mean size of 4.0 and 10 nm found for the Au and Ag clusters, respectively. Using TEM observations, the relative interface energies of MgO//Au and MgO//Ag interfaces are also determined. In the case of MgO//Au, they are found not to be in agreement with theoretical predictions in the literature. CdSe nanoclusters were found to adopt different crystal structures dependent on the size. Small ones (<5 nm) appear to have a rock salt structure, larger ones the sphalerite structure. The solid krypton NC's are under high pressure. The pressure of individual Krypton bubbles was determined from the moiré fringes

Sputtering of thin benzene films by large noble gas clusters

2009 ◽  
Vol 267 (8-9) ◽  
pp. 1436-1439 ◽  
Author(s):  
L. Rzeznik ◽  
B. Czerwinski ◽  
R. Paruch ◽  
B.J. Garrison ◽  
Z. Postawa
Keyword(s):  
Noble Gas ◽  
Gas Clusters

A swarm intelligence modeling approach reveals noble gas cluster configurations confined within carbon nanotubes

2020 ◽  
Vol 22 (36) ◽  
pp. 20693-20703 ◽  
Author(s):  
Cheriyacheruvakkara Owais ◽  
Chris John ◽  
Rotti Srinivasamurthy Swathi
Keyword(s):  
Carbon Nanotubes ◽  
Swarm Intelligence ◽  
Noble Gas ◽  
Continuum Approximation ◽  
Confinement Effects ◽  
Modeling Approach ◽  
Intelligence Modeling ◽  
Gas Clusters ◽  
The Continuum

A swarm intelligence modeling approach together with the continuum approximation for carbon nanotubes unravels confinement effects for noble gas clusters.

scholarly journals Time-Resolved Infrared Spectroscopy in Supercritical Fluids

1999 ◽  
Vol 19 (1-4) ◽  
pp. 133-139 ◽  
Author(s):  
Michael W. George ◽  
Martyn Poliakoff ◽  
Xue-Zhong Sun ◽  
David C. Grills
Keyword(s):  
Infrared Spectroscopy ◽  
Supercritical Fluids ◽  
Room Temperature ◽  
Noble Gas ◽  
Fast Time ◽  
Metal Carbonyls ◽  
Time Resolved ◽  
Organometallic Reactions ◽  
Time Resolved Infrared Spectroscopy ◽  
First Time

We have used fast Time-resolved Infrared Spectroscopy (TRIR) to probe organometallic reactions in supercritical fluids on the nanosecond time-scale. This has allowed us to identify, for the first time in solution at room temperature, organometallic noble gas complexes which are formed following irradiation of metal carbonyls in supercritical noble gas solution. We have found that these complexes are surprisingly stable and have comparable reactivity to organometallic alkane complexes. We have also studied the coordination of CO2 to metal centres in supercritical CO2 (scCO2) and provide the first evidence for the formation and reactivity of ɳ1-O bound metal CO2 complexes in solution at or above room temperature.

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