627 research outputs found
Efficiency Estimation of the Single- and Multicomponent Anti-hydrate Reagents
Different types of technological and technical problems in the oil, gas and chemical industries are connected with the hydrate formation process and with the using of anti-hydrate chemicals. That is why, it is necessary to estimate thermobaric ranges within which reagents does not let hydrate to grow or is their dissociation. Also, to estimate anti-hydrate influence we need to determine the chemicals’ anti-hydrate efficiency and chose the best one.
They make the reagents consisting of several chemical components depending on the purpose of their application – for prevention of formation and (or) elimination of hydrates. It demands calculations of the optimum concentration and expenses and also the intensity (speed) of hydrates dissociation causing with the reagents.
The analytical method of the anti-hydrate chemical reagents efficiency determination containing one or several components from different classes of chemical compounds – alcohols, salts, acids, compounds of nitrogen and oxygen – is presented in this paper. With its help it is possible to define decrease in temperature of hydrate formation from reagents influence, to count key parameters of reagents anti-hydrate efficiency depending on component compositions of hydrate gas and a phase condition of a hydrate-gas system, to select types of chemical components and their quantity in multicomponent reagents, i.e., to make new compounds. The method can be used for express assessment of anti-hydrate chemical reagents efficiency on criteria sign for practical application in oil, gas and processing industry
Navigating protein landscapes with a machine-learned transferable coarse-grained model
The most popular and universally predictive protein simulation models employ
all-atom molecular dynamics (MD), but they come at extreme computational cost.
The development of a universal, computationally efficient coarse-grained (CG)
model with similar prediction performance has been a long-standing challenge.
By combining recent deep learning methods with a large and diverse training set
of all-atom protein simulations, we here develop a bottom-up CG force field
with chemical transferability, which can be used for extrapolative molecular
dynamics on new sequences not used during model parametrization. We demonstrate
that the model successfully predicts folded structures, intermediates,
metastable folded and unfolded basins, and the fluctuations of intrinsically
disordered proteins while it is several orders of magnitude faster than an
all-atom model. This showcases the feasibility of a universal and
computationally efficient machine-learned CG model for proteins
Convex hulls of random walks, hyperplane arrangements, and Weyl chambers
We give an explicit formula for the probability that the convex hull of an n-step random walk in Rd does not contain the origin, under the assumption that the distribution of increments of the walk is centrally symmetric and puts no mass on affine hyperplanes. This extends the formula by Sparre Andersen (Skand Aktuarietidskr 32:27–36, 1949) for the probability that such random walk in dimension one stays positive. Our result is distribution-free, that is, the probability does not depend on the distribution of increments.
This probabilistic problem is shown to be equivalent to either of the two geometric ones: (1) Find the number of Weyl chambers of type Bn intersected by a generic linear subspace of Rn of codimension d; (2) Find the conic intrinsic volumes of a Weyl chamber of type Bn. We solve the first geometric problem using the theory of hyperplane arrangements. A by-product of our method is a new simple proof of the general formula by Klivans and Swartz (Discrete Comput Geom 46(3):417–426, 2011) relating the coefficients of the characteristic polynomial of a linear hyperplane arrangement to the conic intrinsic volumes of the chambers constituting its complement.
We obtain analogous distribution-free results for Weyl chambers of type An−1 (yielding the probability of absorption of the origin by the convex hull of a generic random walk bridge), type Dn, and direct products of Weyl chambers (yielding the absorption probability for the joint convex hull of several random walks or bridges). The simplest case of products of the form B1 ×···× B1 recovers the Wendel formula (Math Scand 11:109–111, 1962) for the probability that the convex hull of an i.i.d. multidimensional sample chosen from a centrally symmetric distribution does not contain the origin.
We also give an asymptotic analysis of the obtained absorption probabilities as n → ∞, in both cases of fixed and increasing dimension d
Technical Design Report for the PANDA Solenoid and Dipole Spectrometer Magnets
This document is the Technical Design Report covering the two large
spectrometer magnets of the PANDA detector set-up. It shows the conceptual
design of the magnets and their anticipated performance. It precedes the tender
and procurement of the magnets and, hence, is subject to possible modifications
arising during this process.Comment: 10 pages, 14MB, accepted by FAIR STI in May 2009, editors: Inti
Lehmann (chair), Andrea Bersani, Yuri Lobanov, Jost Luehning, Jerzy Smyrski,
Technical Coordiantor: Lars Schmitt, Bernd Lewandowski (deputy),
Spokespersons: Ulrich Wiedner, Paola Gianotti (deputy
Feasibility studies of the time-like proton electromagnetic form factor measurements with PANDA at FAIR
The possibility of measuring the proton electromagnetic form factors in the
time-like region at FAIR with the \PANDA detector is discussed. Detailed
simulations on signal efficiency for the annihilation of into a
lepton pair as well as for the most important background channels have been
performed. It is shown that precision measurements of the differential cross
section of the reaction can be obtained in a wide
angular and kinematical range. The individual determination of the moduli of
the electric and magnetic proton form factors will be possible up to a value of
momentum transfer squared of (GeV/c). The total cross section will be measured up to (GeV/c).
The results obtained from simulated events are compared to the existing data.
Sensitivity to the two photons exchange mechanism is also investigated.Comment: 12 pages, 4 tables, 8 figures Revised, added details on simulations,
4 tables, 9 figure
Feasibility studies of time-like proton electromagnetic form factors at PANDA at FAIR
Simulation results for future measurements of electromagnetic proton form
factors at \PANDA (FAIR) within the PandaRoot software framework are reported.
The statistical precision with which the proton form factors can be determined
is estimated. The signal channel is studied on the basis
of two different but consistent procedures. The suppression of the main
background channel, , is studied.
Furthermore, the background versus signal efficiency, statistical and
systematical uncertainties on the extracted proton form factors are evaluated
using two different procedures. The results are consistent with those of a
previous simulation study using an older, simplified framework. However, a
slightly better precision is achieved in the PandaRoot study in a large range
of momentum transfer, assuming the nominal beam conditions and detector
performance
Multiplicity dependence of jet-like two-particle correlations in p-Pb collisions at = 5.02 TeV
Two-particle angular correlations between unidentified charged trigger and
associated particles are measured by the ALICE detector in p-Pb collisions at a
nucleon-nucleon centre-of-mass energy of 5.02 TeV. The transverse-momentum
range 0.7 5.0 GeV/ is examined,
to include correlations induced by jets originating from low
momen\-tum-transfer scatterings (minijets). The correlations expressed as
associated yield per trigger particle are obtained in the pseudorapidity range
. The near-side long-range pseudorapidity correlations observed in
high-multiplicity p-Pb collisions are subtracted from both near-side
short-range and away-side correlations in order to remove the non-jet-like
components. The yields in the jet-like peaks are found to be invariant with
event multiplicity with the exception of events with low multiplicity. This
invariance is consistent with the particles being produced via the incoherent
fragmentation of multiple parton--parton scatterings, while the yield related
to the previously observed ridge structures is not jet-related. The number of
uncorrelated sources of particle production is found to increase linearly with
multiplicity, suggesting no saturation of the number of multi-parton
interactions even in the highest multiplicity p-Pb collisions. Further, the
number scales in the intermediate multiplicity region with the number of binary
nucleon-nucleon collisions estimated with a Glauber Monte-Carlo simulation.Comment: 23 pages, 6 captioned figures, 1 table, authors from page 17,
published version, figures at
http://aliceinfo.cern.ch/ArtSubmission/node/161
Multi-particle azimuthal correlations in p-Pb and Pb-Pb collisions at the CERN Large Hadron Collider
Measurements of multi-particle azimuthal correlations (cumulants) for charged
particles in p-Pb and Pb-Pb collisions are presented. They help address the
question of whether there is evidence for global, flow-like, azimuthal
correlations in the p-Pb system. Comparisons are made to measurements from the
larger Pb-Pb system, where such evidence is established. In particular, the
second harmonic two-particle cumulants are found to decrease with multiplicity,
characteristic of a dominance of few-particle correlations in p-Pb collisions.
However, when a gap is placed to suppress such correlations,
the two-particle cumulants begin to rise at high-multiplicity, indicating the
presence of global azimuthal correlations. The Pb-Pb values are higher than the
p-Pb values at similar multiplicities. In both systems, the second harmonic
four-particle cumulants exhibit a transition from positive to negative values
when the multiplicity increases. The negative values allow for a measurement of
to be made, which is found to be higher in Pb-Pb collisions at
similar multiplicities. The second harmonic six-particle cumulants are also
found to be higher in Pb-Pb collisions. In Pb-Pb collisions, we generally find
which is indicative of a Bessel-Gaussian
function for the distribution. For very high-multiplicity Pb-Pb
collisions, we observe that the four- and six-particle cumulants become
consistent with 0. Finally, third harmonic two-particle cumulants in p-Pb and
Pb-Pb are measured. These are found to be similar for overlapping
multiplicities, when a gap is placed.Comment: 25 pages, 11 captioned figures, 3 tables, authors from page 20,
published version, figures at http://aliceinfo.cern.ch/ArtSubmission/node/87
Charge separation relative to the reaction plane in Pb-Pb collisions at TeV
Measurements of charge dependent azimuthal correlations with the ALICE
detector at the LHC are reported for Pb-Pb collisions at TeV. Two- and three-particle charge-dependent azimuthal correlations in
the pseudo-rapidity range are presented as a function of the
collision centrality, particle separation in pseudo-rapidity, and transverse
momentum. A clear signal compatible with a charge-dependent separation relative
to the reaction plane is observed, which shows little or no collision energy
dependence when compared to measurements at RHIC energies. This provides a new
insight for understanding the nature of the charge dependent azimuthal
correlations observed at RHIC and LHC energies.Comment: 12 pages, 3 captioned figures, authors from page 2 to 6, published
version, figures at http://aliceinfo.cern.ch/ArtSubmission/node/286
A note on comonotonicity and positivity of the control components of decoupled quadratic FBSDE
In this small note we are concerned with the solution of Forward-Backward
Stochastic Differential Equations (FBSDE) with drivers that grow quadratically
in the control component (quadratic growth FBSDE or qgFBSDE). The main theorem
is a comparison result that allows comparing componentwise the signs of the
control processes of two different qgFBSDE. As a byproduct one obtains
conditions that allow establishing the positivity of the control process.Comment: accepted for publicatio
- …