相关论文: An Empirical Charge Transfer Potential with Correc…
We study the flow of an electrically charged fluid through an elastic and porous medium. A three continuum model consisting of an elastic solid, a viscous fluid, and a mobile charge continuum is used. The relevant laws of physics are…
Resonance states of a two-electron quantum dot are studied using a variational expansion with both real basis-set functions and complex scaling methods. The two-electron entanglement (linear entropy) is calculated as a function of the…
Accurately evaluating the real-time flexibility of electric vehicles (EVs) is necessary for EV aggregators to offer ancillary services. However, regulation-caused uncertain state-of-charge and random departure behavior complicate the…
The proposed switching mechanism is based on an electronically-induced metal-insulator transition occurring in conditions of the excess non-equilibrium carrier density under the applied electric field. First, this mechanism is developed on…
Exergy, or availability, is a thermodynamic concept representing the useful work that can be extracted from a system evolving from a given state to a reference state. It is also a system metric, formulated from the first and the second law…
The Resonating Valence Bond (RVB) theory for two-dimensional quantum antiferromagnets is shown to be the correct paradigm for large enough ``quantum frustration''. This scenario, proposed long time ago but never confirmed by microscopic…
The charging load from Electric vehicles (EVs) is modeled as deferrable load, meaning that the power consumption can be shifted to different time windows to achieve various grid objectives. In local community scenarios, EVs are considered…
The potential energy problem in an electrostatically bound two-body system is studied in the framework of a recently proposed impact model of the electrostatic force and in analogy to the potential energy in a gravitationally bound system.…
Electron transfer coupled to a collective vibronic degree of freedom is studied in strongly condensed phase and at lower temperatures where quantum fluctuations are essential. Based on an exact representation of the reduced density matrix…
We expand the Potts-percolation model of a solid to include stress and strain. Neighboring atoms are connected by bonds. We set the energy of a bond to be given by the Lennard-Jones potential. If the energy is larger than a threshold the…
Chemical reactions involve the movement of charges, and this work presents a mathematical model for describing chemical reactions in electrolytes. The model is developed using an energy variational method that aligns with classical…
We analyze a microscopic RNA model, which includes two widely used models as limiting cases, namely it contains terms for bond as well as for stacking energies. We numerically investigate possible changes in the qualitative and quantitative…
Molecular excited vibrational states are metastable states and we incorporate their finite lifetimes into the theory of vibrational energy transfer between weakly interacting molecules, i.e., at internuclear distances at which they do not…
We propose a series of dissipation-assisted entanglement generation protocols that can be implemented on a trapped-ion quantum simulator. Our approach builds on the single-site molecular electron transfer (ET) model recently realized in the…
One of the more profound mysteries of physics is how nature ties together EM fields to form an electron. A way to do this is examined in this study. A bare magnetic dipole containing a flux quantum spins stably, and produces an inverse…
We propose a formal expansion of the transfer entropy to put in evidence irreducible sets of variables which provide information for the future state of each assigned target. Multiplets characterized by a large contribution to the expansion…
Nonlinear transport in the one dimensional Hubbard model at half-filling under a finite bias voltage is investigated by the adaptive time-dependent density matrix renormalization group method. For repulsive on-site interaction, dielectric…
The evolution of electric vehicles (EVs) is reshaping the automotive industry, advocating for more sustainable transportation practices. Accurately predicting EV charging behavior is essential for effective infrastructure planning and…
Variational calculations of excited electronic states are carried out by finding saddle points on the surface that describes how the energy of the system varies as a function of the electronic degrees of freedom. This approach has several…
The split-charge equilibration method is extended to describe dissipative charge transfer similarly as the Drude model, whereby the generic frequency-dependent dielectric permitivitties or conductivities of dielectrics and metals can be…