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Register a new userNon-Gaussian Fluctuation and Non-Markovian Effect in the Nuclear Fusion Process: Langevin Dynamics Emerging from Quantum Molecular Dynamics Simulations
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Macroscopic parameters as well as precise information on the random force characterizing the Langevin type description of the nuclear fusion process around the Coulomb barrier are extracted from the microscopic dynamics of individual nucleons by exploiting the numerical simulation of the improved quantum molecular dynamics. It turns out that the dissipation dynamics of the relative motion between two fusing nuclei is caused by a non-Gaussian distribution of the random force. We find that the friction coefficient as well as the time correlation function of the random force takes particularly large values in a region a little bit inside of the Coulomb barrier. A clear non-Markovian effect is observed in the time correlation function of the random force. It is further shown that an emergent dynamics of the fusion process can be described by the generalized Langevin equation with memory effects by appropriately incorporating the microscopic information of individual nucleons through the random force and its time correlation function.
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To take into account nuclear quantum effects on the dynamics of atoms, the path integral molecular dynamics (PIMD) method used since 1980s is based on the formalism developed by R. P. Feynman. However, the huge computation time required for the PIMD reduces its range of applicability. Another drawback is the requirement of additional techniques to access time correlation functions (ring polymer MD or centroid MD). We developed an alternative technique based on a quantum thermal bath (QTB) which reduces the computation time by a factor of ~20. The QTB approach consists in a classical Langevin dynamics in which the white noise random force is replaced by a Gaussian random force having the power spectral density given by the quantum fluctuation-dissipation theorem. The method has yielded satisfactory results for weakly anharmonic systems: the quantum harmonic oscillator, the heat capacity of a MgO crystal, and isotope effects in 7 LiH and 7 LiD. Unfortunately, the QTB is subject to the problem of zero-point energy leakage (ZPEL) in highly anharmonic systems, which is inherent in the use of classical mechanics. Indeed, a part of the energy of the high-frequency modes is transferred to the low-frequency modes leading to a wrong energy distribution. We have shown that in order to reduce or even eliminate ZPEL, it is sufficient to increase the value of the frictional coefficient. Another way to solve the ZPEL problem is to combine the QTB and PIMD techniques. It requires the modification of the power spectral density of the random force within the QTB. This combination can also be seen as a way to speed up the PIMD.
Nuclear clusters or voids in the inner crust of neutron stars were predicted to have various shapes collectively nicknamed nuclear pasta. The recent review in Ref. cite{Lopez1} by Lopez, Dorso and Frank summarized their systematic investigations into properties especially the morphological and thermodynamical phase transitions of the nuclear pasta within a Classical Molecular Dynamics model, providing further stimuli to find more observational evidences of the predicted nuclear pasta in neutron stars.
Employing the quadratic fermionic Hamiltonians for the collective and internal subsystems with a linear coupling, we studied the role of fermionic statistics on the dynamics of the collective motion. The transport coefficients are discussed as well as the associated fluctuation-dissipation relation. Due to different nature of the particles, the path to equilibrium is slightly affected. However, in the weak coupling regime, the time-scale for approaching equilibrium is found to be globally unchanged. The Pauli-blocking effect can modify the usual picture in open quantum system. In some limits, contrary to boson, this effect can strongly hinder the influence of the bath by blocking the interacting channels.
This work brings together Keldysh non-equilibrium quantum theory and thermodynamics, by showing that a real-time diagrammatic technique is an equivalent of stochastic thermodynamics for non-Markovian quantum machines (heat engines, refrigerators, etc). Symmetries are found between quantum trajectories and their time-reverses on the Keldysh contour, for any interacting quantum system coupled to ideal reservoirs of electrons, phonons or photons. These lead to quantum fluctuation theorems the same as the well-known classical ones (Jarzynski and Crooks equalities, integral fluctuation theorem, etc), whether the systems dynamics are Markovian or not. Some of these are also shown to hold for non-factorizable initial states. The sequential tunnelling approximation and the cotunnelling approximation are both shown to respect the symmetries that ensure the fluctuation theorems. For all initial states, energy conservation ensures that the first law of thermodynamics holds on average, while the above symmetries ensures that the second law of thermodynamics holds on average, even if fluctuations violate it. [ERRATUM added: March 2021]
A general formalism is introduced to allow the steady state of non-Markovian processes on networks to be reduced to equivalent Markovian processes on the same substrates. The example of an epidemic spreading process is considered in detail, where all the non-Markovian aspects are shown to be captured within a single parameter, the effective infection rate. Remarkably, this result is independent of the topology of the underlying network, as demonstrated by numerical simulations on two-dimensional lattices and various types of random networks. Furthermore, an analytic approximation for the effective infection rate is introduced, which enables the calculation of the critical point and of the critical exponents for the non-Markovian dynamics.
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