Search results for "MODY"
showing 10 items of 4576 documents
Force Field for Water over Pt(111): Development, Assessment, and Comparison
2018
Metal/water interfaces are key in many natural and industrial processes, such as corrosion, atmospheric, or environmental chemistry. Even today, the only practical approach to simulate large interfaces between a metal and water is to perform force-field simulations. In this work, we propose a novel force field, GAL17, to describe the interaction of water and a Pt(111) surface. GAL17 builds on three terms: (i) a standard Lennard-Jones potential for the bonding interaction between the surface and water, (ii) a Gaussian term to improve the surface corrugation, and (iii) two terms describing the angular dependence of the interaction energy. The 12 parameters of this force field are fitted again…
Efficient Linear-Scaling Density Functional Theory for Molecular Systems
2013
Despite recent progress in linear scaling (LS) density function theory (DFT), the computational cost of the existing LS methods remains too high for a widespread adoption at present. In this work, we exploit nonorthogonal localized molecular orbitals to develop a series of LS methods for molecular systems with a low computational overhead. High efficiency of the proposed methods is achieved with a new robust two-stage variational procedure or by replacing the optimization altogether with an accurate nonself-consistent approach. We demonstrate that, even for challenging condensed-phase systems, the implemented LS methods are capable of extending the range of accurate DFT simulations to molec…
Study of J/ψ Production in Jets
2017
The production of $J/\psi$ mesons in jets is studied in the forward region of proton-proton collisions using data collected with the LHCb detector at a center-of-mass energy of 13 TeV. The fraction of the jet transverse momentum carried by the $J/\psi$ meson, $z \equiv p_{\rm T}(J/\psi)/p_{\rm T}({\rm jet})$, is measured using jets with $p_{\rm T}({\rm jet}) > 20$ GeV in the pseudorapidity range $2.5 < \eta({\rm jet}) < 4.0$. The observed $z$ distribution for $J/\psi$ mesons produced in $b$-hadron decays is consistent with expectations. However, the results for prompt $J/\psi$ production do not agree with predictions based on fixed-order non-relativistic QCD. This is the first measurement o…
Evaluation of the 2-Methoxyethanol as Entrainer in Ethanol–Water and 1-Propanol–Water Mixtures
2013
In this paper, 2-methoxyethanol (commercially known as methyl cellosolve) is proposed as a potential entrainer for extractive distillation processes involving water–alcohol mixtures. The two alcohols studied in this work are ethanol and 1-propanol. Thereby, isobaric vapor–liquid equilibrium (VLE) data at atmospheric pressure have been measured for the ternary systems ethanol + water + 2-methoxyethanol and 1-propanol + water + 2-methoxyethanol. Moreover, data of the binary systems formed by the 2-methoxyethanol and each of the other chemicals used (ethanol, water, 1-propanol) have been obtained. The well-known local composition models Wilson, UNIQUAC, and NRTL have been used to correlate bin…
Topological confinement in QCD2
1994
In two dimensional SU(N) theories confinement can be understood as a topological property of the vacuum. In the bosonized version of two dimensional theories no trivial boundary conditions (topology) play a crucial role. They are inevitable if one wants to describe non singlet states. In abelian bosonization, color is the charge of a topological current in terms of a non-linear meson field. We show that cofinement appears as the dynamical collapse of the topology associated with its non trivial boundary conditions. Vento Torres, Vicente, Vicente.Vento@ific.uv.es
Observation and Measurement of Forward Proton Scattering in Association with Lepton Pairs Produced via the Photon Fusion Mechanism at ATLAS
2020
The observation of forward proton scattering in association with lepton pairs (eþe− þ p or μþμ− þ p) produced via photon fusion is presented. The scattered proton is detected by the ATLAS Forward Proton spectrometer, while the leptons are reconstructed by the central ATLAS detector. Proton-proton collision data recorded in 2017 at a center-of-mass energy of ffiffiffi s p ¼ 13 TeV are analyzed, corresponding to an integrated luminosity of 14.6 fb−1. A total of 57 (123) candidates in the ee þ p (μμ þ p) final state are selected, allowing the background-only hypothesis to be rejected with a significance exceeding 5 standard deviations in each channel. Proton-tagging techniques are introduced f…
Charged jet cross section and fragmentation in proton-proton collisions at √s = 7 TeV
2019
Published by the American Physical Society under the terms of the Creative Commons Attribution 4.0 International license. Further distribution of this work must maintain attribution to the author(s) and the published article’s title, journal citation, and DOI. We report the differential charged jet cross section and jet fragmentation distributions measured with the ALICE detector in proton-proton collisions at a center-of-mass energy √s=7 TeV. Jets with pseudorapidity |η|40 GeV/c, the pythia calculations also agree with the measured charged jet cross section. pythia6 simulations describe the fragmentation distributions to 15%. Larger discrepancies are observed for pythia8. SCOAP
Scattering Studies with Low-Energy Kaon-Proton Femtoscopy in Proton-Proton Collisions at the LHC
2020
The study of the strength and behaviour of the antikaon-nucleon ($\mathrm{\overline{K}N}$) interaction constitutes one of the key focuses of the strangeness sector in low-energy Quantum Chromodynamics (QCD). In this letter a unique high-precision measurement of the strong interaction between kaons and protons, close and above the kinematic threshold, is presented. The femtoscopic measurements of the correlation function at low pair-frame relative momentum of (K$^+$ p $\oplus$ K$^-$ $\overline{\mathrm{p}}$) and (K$^-$ p $\oplus$ K$^+$ $\overline{\mathrm{p}}$) pairs measured in pp collisions at $\sqrt{s}$ = 5, 7 and 13 TeV are reported. A structure observed around a relative momentum of 58 Me…
Transverse momentum spectra and nuclear modification factors of charged particles in pp, p-Pb and Pb-Pb collisions at the LHC
2018
We report the measured transverse momentum ($p_{\rm T}$) spectra of primary charged particles from pp, p-Pb and Pb-Pb collisions at a center-of-mass energy $\sqrt{s_{\rm NN}} = 5.02$ TeV in the kinematic range of $0.15<p_{\rm T}<50$ GeV/$c$ and $|\eta|< 0.8$. A significant improvement of systematic uncertainties motivated the reanalysis of data in pp and Pb-Pb collisions at $\sqrt{s_{\rm NN}} = 2.76$ TeV, as well as in p-Pb collisions at $\sqrt{s_{\rm NN}} = 5.02$ TeV, which is also presented. Spectra from Pb-Pb collisions are presented in nine centrality intervals and are compared to a reference spectrum from pp collisions scaled by the number of binary nucleon-nucleon collisions. For cent…
Probing the Effects of Strong Electromagnetic Fields with Charge-Dependent Directed Flow in Pb-Pb Collisions at the LHC
2020
The first measurement at the LHC of charge-dependent directed flow ($v_{1}$) relative to the spectator plane is presented for Pb-Pb collisions at $\sqrt{s_{\rm NN}}$ = 5.02 TeV. Results are reported for charged hadrons and $\rm D^{0}$ mesons for the transverse momentum intervals $p_{\rm T}>0.2$ GeV/$c$ and $3<p_{\rm T}<$ 6 GeV/$c$ in the 5-40% and 10-40% centrality classes, respectively. The difference between the positively and negatively charged hadron $v_{1}$ has a positive slope as a function of pseudorapidity $\eta$, ${\rm d}\Delta{v_1}/{\rm d}\eta=$[1.68 $\pm$ 0.49 (stat.) $\pm$ 0.41 (syst.)] $\times 10^{-4}$. The same measurement for $\rm D^{0}$ and $\rm\bar{D}{}^0$ mesons yields a p…