6,400 research outputs found
Rapid Determination of Multiple Reaction Pathways in Molecular Systems: The Soft-Ratcheting Algorithm
We discuss the ``soft-ratcheting'' algorithm which generates targeted
stochastic trajectories in molecular systems with scores corresponding to their
probabilities. The procedure, which requires no initial pathway guess, is
capable of rapidly determining multiple pathways between known states.
Monotonic progress toward the target state is not required. The soft-ratcheting
algorithm is applied to an all-atom model of alanine dipeptide, whose unbiased
trajectories are assumed to follow overdamped Langevin dynamics. All possible
pathways on the two-dimensional dihedral surface are determined. The associated
probability scores, though not optimally distributed at present, may provide a
mechanism for estimating reaction rates
Southern hemisphere stratospheric circulation as indicated by shipboard meteorological rocket observations
Southern Hemisphere stratospheric circulation as indicated by shipboard meteorological rocket observation
An experiment designed to determine the diurnal temperature and wind variation and to detect possible errors in rocketsonde temperature measurements in the upper stratosphere
Diurnal temperature and wind variation measured by instrumentation aboard meteorological rockets - detection of possible errors in temperature measurements in upper stratospher
Temperature and gravity of the pulsating extreme helium star LSS 3184 (BX Cir) through its pulsation cycle
We report the analysis of optical spectra of the extreme helium star LSS 3184
(BX Cir) to determine its effective temperature and gravity throughout its
pulsation cycle. The spectra were also used to measure its chemical abundances.
We report rest gravity, log g = 3.38 +/- 0.02, and a chemical abundance
mixture consistent with those reported earlier in a study using an optical
spectrum with lower spectral resolution and a lower signal to noise ratio. Our
analysis decreases the upper limit for the H abundance to H < 6.0 (mass
fraction < 7.1 x 10^-7). Our gravity corresponds to stellar mass M = 0.47 +/-
0.03 M_sun.
We find that the effective log g varies through the pulsation cycle with an
amplitude of 0.28 dex. The effective gravity is smaller than the rest gravity
except when the star is very near its minimum radius. The change in effective
gravity is primarily caused by acceleration of the stellar surface.
Based on the optical spectra, we find the temperature varies with an
amplitude of 3450 K. We find a time averaged mean temperature, 23390 +/- 90 K,
consistent with that found in the earlier optical spectrum study. The mean
temperature is 1750 K hotter than that found using combined ultraviolet spectra
and V and R photometry and the variation amplitude is larger. This discrepancy
is similar to that found for the extreme helium star V652 Her.Comment: 7 pages, 6 figures, LaTeX, to be published in A&
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