相关论文: Nuclear Quantum Effects on Proton Diffusivity in P…

We consider the role of quantum effects in the transfer of hyrogen-like species in enzyme-catalysed reactions. This study is stimulated by claims that the observed magnitude and temperature dependence of kinetic isotope effects imply that…

Proton motions in hydrated proton conducting perovskites BaZr_{0.90}A_{0.10}O_{2.95} (A = Y and Sc) have been investigated using quasielastic neutron scattering. The results reveal a localized motion on the ps time scale and with an…

The thermally activated proton diffusion in BaZr0.9Y0.1O3-{\delta} was studied with electrochemical impedance spectroscopy (IS) and quasi-elastic neutron scattering (QENS) in the temperature range from 300 K to 900 K. The diffusivities for…

Quantum phase diffusion in a small underdamped Nb/AlO$_x$/Nb junction ($\sim$ 0.4 $\mu$m$^2$) is demonstrated in a wide temperature range of 25-140 mK where macroscopic quantum tunneling (MQT) is the dominant escape mechanism. We propose a…

Nucleon properties are modified in the nuclear medium. To understand these modifications and their origin is a central issue in nuclear physics. For example, a wide variety of QCD-based models, including quark-meson coupling and…

The diffusion coefficients of Ni DNi and Zr DZr, and also the critical temperature Tc of the system, as results of data analysis from Molecular Dynamics (MD) Simulation, are presented. An NpT-Ensemble of 648 atoms is simulated in a Box with…

Experimental data obtained with the perovskite compounds Pr$_{0.55}$Sr$_{0.45}$MnO$_{3}$ show that the magnetization decreases with increasing temperature $T$ and undergoes a very sharp phase transition to the paramagnetic phase. The sharp…

Molecular dynamics (MD) simulations are used to investigate $^1$H nuclear magnetic resonance (NMR) relaxation and diffusion of bulk $n$-C$_5$H$_{12}$ to $n$-C$_{17}$H$_{36}$ hydrocarbons and bulk water. The MD simulations of the $^1$H NMR…

Despite the inherently quantum mechanical nature of hydrogen bonding, it is unclear how nuclear quantum effects (NQEs) alter the strengths of hydrogen bonds. With this in mind, we use ab initio path integral molecular dynamics to determine…

Previously reported neutron scattering investigations of the canonical relaxor ferroelectric perovskite oxide with a chemical formula Pb(Mg(1/3)Nb(2/3))O3 (PMN) are revisited in order to appreciate the role of the intrinsic bulk…

Diffuse scattering around the (110) reciprocal lattice point has been investigated by elastic neutron scattering in the paraelectric and the relaxor phases of the disordered complex perovskite crystal-Pb(Zn1/3Nb2/3)O3(PZN). The appearance…

The evaluation of nucleation rates from molecular dynamics trajectories is hampered by the slow nucleation time scale and impact of finite size effects. Here, we show that accurate nucleation rates can be obtained in a very general fashion…

We analyse the transverse momentum ($p_{\rm T}$)-spectra as a function of charged-particle multiplicity at midrapidity ($|y| < 0.5$) for various identified particles such as $\pi^{\pm}$, $K^{\pm}$, $K_S^0$, $p+\overline{p}$, $\phi$, $K^{*0}…

In this work, surface diffusion is studied with a different perspective by showing how the corresponding open dynamics is transformed when passing, in a continuous and smooth way, from a pure quantum regime to a full classical regime; the…

Nucleon drift and diffusion mechanisms in central collisions of asymmetric heavy-ions at near-barrier energies are investigated in the framework of a stochastic mean-field approach. Expressions for diffusion and drift coefficients for…

The time evolution of particle number fluctuations in nuclear collisions at intermediate energies ($E_{\rm lab} = 1.23-10A$ GeV) is studied by means of the UrQMD-3.5 transport model. The transport description incorporates baryonic…

The transverse momentum dependent nuclear modification factors (NMF), namely $R_{CP}$, is investigated for protons produced in Au + Au at 1$A$ GeV within the framework of the isospin-dependent quantum molecular dynamics (IQMD) model. It is…

Based on the relativistic transport model ART with the hadronic equation of state extended to have a phase transition via the use of the MIT bag model, properties of phase transition of dense nuclear matter formed in relativistic heavy-ion…

The thermodynamic properties of nuclei are studied in a mean field model using a Skryme interaction. Properties of two component systems are investigated over the complete range of proton fraction from a system of pure neutrons to a system…

Any evolving system can change of state via thermal mechanisms (hopping a barrier) or via quantum tunneling. Most of the time, efficient classical mechanisms dominate at high temperatures. This is why an increase of the temperature can…