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Color centers in diamond and silicon carbide (SiC), and molecular spins through a host matrix control are promising for nanoscale quantum sensing because they can be optically addressable, coherently controllable, and placed proximate to…
We present a modular and thermodynamically consistent modeling framework for simulating steady-state and transient behavior in fixed-bed reactors. Accurate simulation of dynamic reactor behavior is essential for enabling flexible operation…
Neutrino transport and neutrino-matter interactions are known to play an important role in the evolution of neutron star mergers, and of their post-merger remnants. Neutrinos cool remnants, drive post-merger winds, and deposit energy in the…
We report the results of a large scale computer simulation of a binary supercooled Lennard-Jones liquid. We find that at low temperatures the curves for the mean squared displacement of a tagged particle for different temperatures fall onto…
The ground state band was recently observed in the superheavy nucleus 256Rf. We study the rotational properties of 256Rf and its neighboring even-even nuclei by using a cranked shell model (CSM) with the pairing correlations treated by a…
Aspects of Density Functional Resonance Theory (DFRT) [Phys. Rev. Lett. \textbf{107}, 163002 (2011)], a recently developed complex-scaled version of ground-state Density Functional Theory (DFT), are studied in detail. The asymptotic…
CONSORT is the UK's last remaining civilian research reactor, and its present core is soon to be removed. This study examines the feasibility of re-using the reactor facility for accelerator-driven systems research by replacing the fuel and…
Reservoir computing (RC) is an emerging recurrent neural network architecture that has attracted growing attention for its low training cost and modest hardware requirements. Memristor-based circuits are particularly promising for RC, as…
The aim of this work is to further expand the capability of the coarse-grid Computational Fluid Dynamics (CFD) approach, SubChCFD, to effectively simulate transient and buoyancy-influenced flows, which are critical in accident analyses of…
This paper proposes a deep learning-based optimal battery management scheme for frequency regulation (FR) by integrating model predictive control (MPC), supervised learning (SL), reinforcement learning (RL), and high-fidelity battery…
A system of soft ellipsoid molecules confined between two planar walls is studied using classical Density Functional Theory (DFT). Both the isotropic and nematic phases are considered. The excess free energy is evaluated using two different…
This study provides an in-depth analysis of time series forecasting methods to predict the time-dependent deformation trend (also known as creep) of salt rock under varying confining pressure conditions. Creep deformation assessment is…
The rotating nuclei represent one of most interesting subjects for theoretical and experimental studies. They open a new dimension of nuclear landscape, namely, spin direction. Contrary to the majority of nuclear systems, their properties…
The properties of template-directed nucleation are studied close to the transition where full nucleation control is lost and additional nucleation occurs beyond the pre-patterned regions. First, kinetic Monte Carlo simulations are performed…
We develop a field-theoretic perturbation method preserving the fluctuation-dissipation relation (FDR) for the dynamics of the density fluctuations of a noninteracting colloidal gas plunged in a quenched Gaussian random field. It is based…
The rotating reference system, two-point correlation functions, and energy density are used as the basis for investigating thermal effects observed by a detector rotating through random classical zero-point radiation. The RS consists of…
Modeling of dynamic processes in nuclear reactors is carried out, mainly, on the basis of the multigroup diffusion approximation for the neutron flux. The basic model includes a multidimensional set of coupled parabolic equations and…
Although the classical density functional theory (DFT) of inhomogeneous fluids was formulated more than four decades ago, its application to broken symmetry phases of molecular systems remained a challenge. Approximate free energy…
The RPA long range correlations are known to play a significant role in understanding the depletion of single particle-hole states observed in (e, e') and (e, e'p) measurements. Here the Random Phase Approximation (RPA) theory, implemented…
We investigate the dynamics of the rate function and of local observables after a quench in models which exhibit phase transitions between a superfluid and an insulator in their ground states. Zeros of the return probability, corresponding…