One-dimensional diffusion of Pb atoms on the Si(553)-Au surface

One-dimensional diffusion along long atomic chains of the Si(553)-Au surface is studied with scanning tunneling microscopy. Ab initio calculations reveal aligned preferential adsorption sites between Si step edge atomic chain and double Au atomic chain on each terrace. At 220 K the Pb atoms hop between shallow potential basins forming a potential groove and move parallel to the atomic chains. By combining the results of measurements with the model calculations of the Pb atoms static energy on the Si(553)-Au surface the attempt frequency ν? is determined.     

The low frequency behaviour in high frequency capacitance–voltage characteristics due to contribution of band-to-band tunnelling and generation–recombination in Hg0.75Cd0.25Te MIS capacitors

Hg_1−xCd_xTe Metal–Insulator–Semiconductor (MIS) capacitors were studied both experimentally and theoretically to investigate the capacitance contributions due to band-to-band (btb) tunnelling and generation–recombination (gr) of carriers to inversion layer capacitance. A good fit to the data has been obtained by including the btb contributions rather than gr contributions.     

Solvation of phenylglycine- and leucine-derived chiral stationary phases: molecular dynamics simulation study

A theoretical study of the solvation of ( R)- N-(3,5-dinitrobenzoyl)phenylglycine- and ( R)- N-(3,5-dinitrobenzoyl)leucine-derived chiral stationary phases (CSPs) is presented. Semiflexible models of the chiral selectors are prepared from B3LYP/6-311G** calculations, and these are used in the molecular dynamics simulations of the corresponding interface. The chiral interface is examined for four solvents: 100% hexane, 90:10 hexane:2-propanol, 80:20 hexane:2-propanol, and 100% 2-propanol. Despite the similarities between phenylglycine and leucine, the interfaces are distinct both in terms of the selector orientations at the surface and in the number of hydrogen bonds formed with 2-propanol. We also find that an increase in alcohol concentration alters the preferred orientations of the selectors.     

Artabotryols A – E,New Lanostane Triterpenes from the Seeds of Artabotrys odoratissimus

Six new lanostane triterpenes, artabotryols A, B, C1, C2, D, and E ( 1, 2, 3a, 3b, 4 , and 5 , resp.) have been isolated from the seeds of Artabotrys odoratissimus (Annonaceae). Their structures have been established as (3α,22S,25R)‐3‐hydroxy‐22,26‐epoxylanost‐8‐en‐26‐one ( 1 ), (3α,22S,25R)‐22,26‐epoxylanost‐8‐ene‐3,26‐diol ( 2 ), (3α,22S,25R,26R)‐26‐methoxy‐22,26‐epoxylanost‐8‐en‐3‐ol ( 3a ), (3α,22S,25R, 26S)‐26‐methoxy‐22,26‐epoxylanost‐8‐en‐3‐ol ( 3b ), (3α,22S,25R)‐3,22‐dihydroxylanost‐8‐en‐26‐oic acid ( 4 ) and (3α,7α,11α,22S,25R)‐3,7,11‐trihydroxy‐22,26‐epoxylanost‐8‐en‐26‐one ( 5 ) by spectroscopic studies and chemical correlations.     

Structurally tailored carbon xerogels produced through a sol–gel process in a water–methanol–inorganic salt solution

The impact of solvent composition as well as inorganic salt content and type on carbon xerogel structure was investigated. Carbon xerogels were derived from the sol–gel polycondensation of resorcinol with furfural in a water–methanol–inorganic salt solution. As inorganic salts, NaCl, NH₄ClO₄ and FeCl₃ were used. In order to conduct an accurate examination of the carbon xerogel structures and textures, inorganic salts were removed prior to carbonization. The xerogel structures can be tailored according to the water/methanol ratio and, to a lesser extent, according to the inorganic salt content and type in the starting solution. As a result, a significant amount of salt can be introduced to the gel network of the desired structure. The morphology and physical properties of the organic xerogels, carbon xerogels and their composites were characterized by means of SEM, N₂ sorption and XRD. It was found that samples derived from mixtures with FeCl₃ manifest well developed mesoporosity and depleated microporosity in comparison to samples prepared from mixtures with NaCl and NH₄ClO₄. Iron ions chemically bond to the xerogel matrix and cause its partial graphitization during the carbonization process, resulting in enhanced mesoporosity.     

Preliminary design studies of a 100 MeV H−/H+ LINAC as injector for SNS synchrotron/ADS LINAC

It is proposed to construct a spallation neutron source (SNS) at Centre for Advanced Technology (CAT) based on a 1 GeV proton synchrotron with 100 MeV H⁻ LINAC as injector. Additionally, the LINAC can form the first 100 MeV part of a 1 GeV proton LINAC to be built in future for accelerator driven system (ADS) applications. We are exploring a configuration of the 100 MeV LINAC which will consist of an H⁻ ion source, a 4–6 MeV RFQ followed either by a 20 MeV drift tube LINAC (DTL) and 100 MeV separated function drift tube LINAC (SDTL) or a coupled cavity drift tube LINAC (CCDTL) structure. In this paper, we present the results of our preliminary physics design studies of the RFQ-SDTL, RFQ-CCDTL and RFQ-DTL-SDTL configurations. The design of the 4.5 MeV RFQ is discussed along with the matching sections between the RFQ-SDTL/DTL and RFQ-CCDTL. The choice of the accelerator configuration and that of various parameters of the individual accelerator structures under consideration are discussed. The design objectives are to arrive at a configuration which eases heat removal for CW operation and which is less prone to halo formation in order to reduce the beam loss at higher energies.     

Vibrational properties of noble gas endohedral fullerenes

Analysis of IR and Raman spectra of Ar@C(60) and Kr@C(60) shows that the incorporation of noble gas atoms causes a blue shift of low energy vibrations, which have radial character, and a red shift of higher energy ones which have a tangential character movement. The mechanism of these phenomena is explained on the basis of ab initio numerical experiments with DFT and MP2 procedures. Methodological discussions are advanced, altogether with a scheme for the estimation of the van der Waals interaction between fullerene and noble gas, based on the frequency shifts.     

Laboratory set-up for X-ray diffraction at high pressures

We describe here a simple set-up for X-ray diffraction under high pressure using a diamond anvil cell employing a sealed tube. The set-up works in angular dispersive geometry and is built using rather common components that are available in a research laboratory. We show that using this set-up one can routinely acquire good-quality data for the determination of structural properties under pressure and the equations of state. Technical details are presented along with examples of experimental results for sodium chloride and LiV₂O₄.     

Study of levels in51Cr through51V (p,nγ) reaction

The low lying levels in⁵¹Cr have been populated by⁵¹V (p, ny)⁵¹Cr reaction. The angular distribution of the ground state electromagnetic transitions from 1165, 1353, 1479 and 1557 keV states have been measured. The results are compared with the Hauser-Feshbach model of the statistical theory of nuclear reactions. The spins for the levels at 1165, 1479 and 1557 keV are shown to be 9/2^?, 11/2^? and 5/2^? respectively.