Related papers: Electric-Field Driven Nuclear Dynamics of Liquids …
In the first two papers in this series, we developed new shifted potential (SP), gradient shifted force (GSF), and Taylor shifted force (TSF) real-space methods for multipole interactions in condensed phase simulations. Here, we discuss the…
The interaction of standard model's particles with the axionic Dark Matter field may generate oscillating nuclear electric dipole moments (EDMs), oscillating nuclear Schiff moments and oscillating nuclear magnetic quadrupole moments (MQMs)…
Measurements of nucleon and nuclei Electric Dipole Moments (EDMs) play an important role in probing CP violation and exploring physics beyond the Standard Model. We extract the neutron EDM by measuring the energy shift of the nucleon…
With the development of condensed-matter physics and nanotechnology, attention has turned to the fields near and on surfaces that result from interactions between electric dipole radiation and mesoscale structures. It is hoped that studying…
Deep neural networks (DNNs) have been used to successfully predict molecular properties calculated based on the Kohn--Sham density functional theory (KS-DFT). Although this prediction is fast and accurate, we believe that a DNN model for…
Field emission coupled with molecular dynamics simulation (FEcMD) software package is a computational tool for studying atomic structure evolution, structural deformation, phase transitions, recrystallization as well as electron emission…
We introduce FENNIX (Force-Field-Enhanced Neural Network InteraXions), a hybrid approach between machine-learning and force-fields. We leverage state-of-the-art equivariant neural networks to predict local energy contributions and multiple…
The interplay of optical driving and hyperfine interaction between an electron confined in a quantum dot and its surrounding nuclear spin environment produces a range of interesting physics such as mode-locking. In this work, we go beyond…
The question on the dominant driving mechanism (displacive or order-disorder) at each structural phase transition of KNbO3 is investigated by means of molecular dynamics simulations. To this purpose, we first develop a shell model by…
The physics of critical phenomena in a many-body system far from thermal equilibrium is an interesting and important issue to be addressed both experimentally and theoretically. The trapped cold atoms have been actively used as a clean and…
A nonlinear phase-field model is developed to simulate corrosion damage. The motion of the electrode$-$ electrolyte interface follows the usual kinetic rate theory for chemical reactions based on the Butler-Volmer equation. The model links…
Novel equations for the electric dipole polarizability $\alpha_{_{E1}}$ of low-lying excited states in atomic nuclei -- and the related $(-2)$ moment of the total photo-absorption cross section, $\sigma_{_{-2}}$ -- are inferred in terms of…
We discuss the polarization dynamics during solid effect dynamic nuclear polarization (DNP) in a central spin model that consists of an electron surrounded by many nuclei. To this end we use a recently developed formalism and validate first…
Current-induced electron spin polarization is shown to produce nuclear hyperpolarization through dynamic nuclear polarization. Saturated fields of several millitesla are generated upon the application of electric field over a timescale of a…
Electrohydrodynamic flows of weak electrolytes at the nanoscale are significantly influenced by the molecular structure of water-like polar solvents within the electric double layer (EDL). Moreover, unlike in microfluidics, at these length…
In this letter we analyze the effects of an externally applied electric field on thermal fluctuations for a fluid containing charged species. We show in particular that the fluctuating Poisson-Nernst-Planck equations for charged…
Optical dynamic nuclear polarization (DNP) offers an attractive approach to enhancing the sensitivity of nuclear magnetic resonance (NMR) spectroscopy. Efficient, optically-generated electron polarization can be leveraged to operate across…
The magnetic field generated by a bound muon in heavy muonic atoms results in an induced nuclear magnetic dipole moment even for otherwise spinless nuclei. This dipole moment interacts with the muon, altering the binding energy of the…
While it is well established that elevated temperatures can induce surface roughening of metal surfaces, the effect of a high electric field on the atomic structure at ambient temperature has not been investigated in detail. Here we show…
Molecular ferroelectrics have attracted increasing interests over the past decade due to mechanical flexibility, chemical diversity, environmental friendliness, easy-processing, and lightness. The performance of molecular ferroelectrics is…