1,724 research outputs found
Interactive Chemical Reactivity Exploration
Elucidating chemical reactivity in complex molecular assemblies of a few
hundred atoms is, despite the remarkable progress in quantum chemistry, still a
major challenge. Black-box search methods to find intermediates and
transition-state structures might fail in such situations because of the
high-dimensionality of the potential energy surface. Here, we propose the
concept of interactive chemical reactivity exploration to effectively introduce
the chemist's intuition into the search process. We employ a haptic pointer
device with force-feedback to allow the operator the direct manipulation of
structures in three dimensions along with simultaneous perception of the
quantum mechanical response upon structure modification as forces. We elaborate
on the details of how such an interactive exploration should proceed and which
technical difficulties need to be overcome. All reactivity-exploration concepts
developed for this purpose have been implemented in the Samson programming
environment.Comment: 36 pages, 14 figure
High-spin structures of 136Cs
Odd-odd 136Cs nuclei have been produced in the 18O + 208Pb and 12C + 238U
fusion-fission reactions and their gamma rays studied with the Euroball array.
The high-spin level scheme has been built up to ~ 4.7 MeV excitation energy and
spin I ~ 16 hbar from the triple gamma-ray coincidence data. The configurations
of the three structures observed above ~ 2 MeV excitation energy are first
discussed by analogy with the proton excitations identified in the semi-magic
137Cs nucleus, which involve the three high-j orbits lying above the Z=50 gap,
pi g_{7/2}, pi d_{5/2} and pi h_{11/2}. This is confirmed by the results of
shell-model calculations performed in this work.Comment: 6 pages, 4 figures, 3 table
Dewetting of Glassy Polymer Films
Dynamics and morphology of hole growth in a film of power hardening
viscoplastic solid (yield stress ~ [strain-rate]^n) is investigated. At
short-times the growth is exponential and depends on the initial hole size. At
long-times, for n > 1/3, the growth is exponential with a different exponent.
However, for n < 1/3, the hole growth slows; the hole radius approaches an
asymptotic value as time tends to infinity. The rim shape is highly asymmetric,
the height of which has a power law dependence on the hole radius (exponent
close to unity for 0.25 < n < 0.4). The above results explain recent intriguing
experiments of Reiter, Phys. Rev. Lett, 87, 186101 (2001).Comment: 4 pages, 5 figures, RevTe
Dewetting of thin polymer films near the glass transition
Dewetting of ultra-thin polymer films near the glass transition exhibits
unexpected front morphologies [G. Reiter, Phys. Rev. Lett., 87, 186101 (2001)].
We present here the first theoretical attempt to understand these features,
focusing on the shear-thinning behaviour of these films. We analyse the profile
of the dewetting film, and characterize the time evolution of the dry region
radius, , and of the rim height, . After a transient time
depending on the initial thickness, grows like while
increases like . Different regimes of growth are
expected, depending on the initial film thickness and experimental time range.Comment: 4 pages, 5 figures Revised version, published in Physical Review
Letters: F. Saulnier, E. Raphael and P.-G. de Gennes, Phys. Rev. Lett. 88,
196101 (2002
Large Deformation Effects in the N = Z 44Ti Compound Nucleus
The N = Z 44Ti* nucleus has been populated in Fusion Evaporation process at
very high excitation energies and angular momenta using two entrance channels
with different mass-asymmetry. The deformation effects in the rapidly rotating
nuclei have been investigated through the energy distribution of the
alpha-particle combined to statistical-model calculations. In the case of
low-multiplicity events, the ratio between first particle emitted has been
measured and shows significant disagreement with the predictions of the
statistical-model. This may explain The large discrepancies observed in proton
energy spectra measured in previous experiments performed in the same mass
region.Comment: Proceeding of the 10th International Conference on Nuclear Reaction
Mechanisms, Varenna Italy, June 9-13 2003. 10 pages, 6 figures, 1 tabl
Observation of the lowest energy gamma-ray in any superdeformed nucleus : 196Bi
New results on the superdeformed Bi nucleus a re reported. We have
observed with the EUROBALL IV -ray spectrometer array a superdeformed
trans ition of 124 keV which is the lowest observed energy -ray in any
superdeformed nucleus. We have de velopped microscopic cranked
Hartree-Fock-Bogoliubov calculations using the SLy4 effective force and a
realistic surface p airing which strongly support the
([651]1/2[752]5/2) assignment of this su
perdeformed band
Energy partition in Sapphire and BGO scintillating bolometers
International audienceScintillating bolometers are particle detectors with a high particle discrimination power with many applications in nuclear and particle physics. This discrimination power is based on the different scintillation yield for different particles, and is strongly dependent on the target used. At the very low temperatures required for the operation of the bolometers, very few data about the scintillation yields are available. In this paper we present estimates of absolute light yields and energy partition among heat, light and trapping channels in Sapphire (AlO) and BGO (BiGeO) scintillating bolometers operated at 20 mK. The estimate relies on the observed negative correlation between the light and heat signals produced by γ-ray absorption in scintillating bolometers and on the study of the x-ray stimulated luminescence properties of BGO at temperatures down to 77 K
Cyclin L1 (CCNL1) gene alterations in human head and neck squamous cell carcinoma
We evaluated the expression and amplification of cyclin L1 (CCNL1) gene, a potential oncogene localised in the commonly amplified 3q25–28 region, in human head and neck squamous cell carcinomas (HNSCCs). Overexpression was observed in 55 out of 96 cases (57%) and amplification in nine out of 35 tumours (26%) with no relationships to the clinico-pathological parameters. The Cyclin L1 antibody we developed labels nuclear speckles in tumour cells compatible with a role for CCNL1 in RNA splicing
Response of parylene-coated NaI(Tl) scintillators at low temperature
Despite that it is widely used as a scintillator at room temperature, the hygroscopicity of NaI complicates its handling and limits its application for many purposes, for example as a cryogenic detector. To overcome this problem we study coating materials that can act as humidity barriers, in particular parylene, a polymer that can be deposited in very radiopure, thin and conformal layers. In this work, several NaI(Tl) samples coated with 2-5 µm parylene-C were tested at low temperature. Luminescence spectra under X-ray excitation are presented at several temperatures as well as the light output vs temperature at 1.5-300 K. Several thermoluminescence peaks were observed at around 60, 95 and 150 K during warm up to room temperature
The mechanical resistance of the coating under thermal cycles was also investigated, and we observed a degradation of the optical appearance and the light output after cooling down to about 100 mK, which compromises the reusability of the samples
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