Mapping the QCD phase diagram with susceptibilities of conserved charges within Nambu–Jona-Lasinio model

We evaluate the second to fourth-order baryon, charge and strangeness susceptibilities near a chiral critical point using the Nambu–Jona-Lasinio model under different temperatures and baryon chemical potential. Baryon number susceptibilities are found to be of the greatest magnitude, offering the strongest signal. Whereas the strangeness susceptibilities have the smallest divergence dominating area, owing to the large strange quark mass. We also make an attempt to compare our results with experiment data. The trend at high collision energy is found to be consistent between theory and experiment. The model calculation predicts more complex behavior at low collision energies, near the postulated critical end point.

QUASI-CLASSICAL TRAJECTORY CALCULATION OF THE CHEMICAL REACTION Sr + CF3Br

The chemical reaction dynamics between Sr atom and CF3Br has been studied by using the method of quasi-classical trajectory calculation on the London-Eyring-Polanyi-Sato potential energy surface. The vibrational distribution, reaction cross section and rotational alignment of the product SrBr have been calculated. The calculated results indicate that the cross section of this reaction decreases and the product rotational alignment increases with the increase in collision energy. It has been found that low collision energy generates the abstraction reaction whereas high collision energy leads to the insertion. The conclusions in this paper agree well with experimental data and some relative theoretical results as well.

THE STEREODYNAMICS STUDY OF THE C(3P) + OH (X2 Π) → CO(X1Σ+) + H(2S) REACTION

The stereodynamics of the title reaction on the ground electronic state X2A' potential energy surface (PES)1 has been studied using the quasiclassical trajectory (QCT) method. The commonly used polarization-dependent differential cross-sections (PDDCSs) of the product and the angular momentum alignment distribution, P(θr) and P(Φr), are generated in the center-of-mass frame using QCT method to gain insight of the alignment and orientation of the product molecules. Influence of collision energy on the stereodynamics is shown and discussed. The results reveal that the distribution of P(θr) and P(Φr) is sensitive to collision energy. The PDDCSs exhibit different collision energy dependency relationship at low and high collision energy ranges.

QUASI-CLASSICAL TRAJECTORY STUDY OF THE REACTIONS N(2D) WITH H2, D2, AND HD

Quasi-classical trajectory (QCT) calculations are carried out for the title reactions on the potential energy surface (PES) of Ho et al.1 Our calculated integral cross-section values have been compared with the recent two quantum mechanics (QM) ones: they are close to those of one QM calculation in the high collision energy range, but they approach to another one in the low collision energy range. The product rotational alignments 〈P2 (J' ⋅ K)〉 have also been calculated.

QUASICLASSICAL TRAJECTORY STUDY OF THE STEREODYNAMICS FOR THE REACTION D+ + H2 (ν=0, j = 0) → HD + H+

The vector correlations between products and reactants for the reactive noncharge transfer ion–molecule collisions D + + H 2 (ν=0, j = 0)→ HD + H + have been determined by means of the quasiclassical trajectory method on the ground state in the KBNN potential energy surface (J Chem Phys116:654, 2002) at collision energies of 0.224, 0.524, 0.824, and 1.024 eV. The calculated differential cross section (DCS) results indicate that the lifetime of the complex [Formula: see text] in the deep well on the ground PES becomes shorter as collision energy increases. The existence of long-lived complex leads to a weak product rotational polarization at a low collision energy of 0.224 eV. However, the product rotational angular momentum j′ aligns and orients preferentially along the positive direction of the y-axis at a high collision energy of 1.024 eV. The distribution of P(θr, ϕr) indicates that the product molecules are preferentially polarized perpendicular to the scattering plane and that the reaction is dominated by an in-plane mechanism.

Quasi-classical trajectory calculation of the Ba + HBr chemical reaction

The results of the reaction between Ba atom and HBr are studied by using the quasi-classical trajectory (QCT) calculation on extended London–Eyring–Polanyi–Sato (LEPS) potential-energy surface (PES). The vibrational distribution, reaction cross section, and rotational alignment of the product BaBr have been calculated. The calculations predict that the reaction cross section decreases, while the translation energy and rotational energy increase with the increasing of collision energy. It has been found that low collision energy favors the abstraction reaction, whereas high collision energy leads to an insertion reaction. The calculated results agree with the experimental data and some relative theoretical results as well.