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We present recent advances in Density Functional Theory (DFT) for applications to the field of quantum transport, with particular emphasis on transport through strongly correlated systems. We review the foundations of the popular…
In nuclear reactors, Delayed Neutron Precursors (DNPs) are important for reactor safety and operation. In liquid nuclear fuels, DNPs are transported by the flow, and an advection-reaction balance equation for their concentration must be…
We apply the recently-developed partition-free time-dependent Landauer-B\"uttiker (TD-LB) formalism to the study of periodically-driven transport in graphene nanoribbons (GNR). When an AC driving is applied, this formalism can be used to…
Neutral atoms recycled from wall interaction interact with confined plasma, thereby refueling it, most strongly in the region closest to the wall. This occurs near the X-point in diverted configurations, or else near the wall itself in…
A new model, based on the BCS approach, is specially designed to describe nuclear phenomena $(A,Z)\rightarrow (A,Z\pm 2)$ of double-charge exchange (DCE). After being proposed, and applied in the particle-hole limit, by one of the authors…
Information on dissipation in the entrance channel of heavy-ion collisions is extracted by macroscopic reduction procedure of Time-Dependent Hartree-Fock theory. The method gives access to a fully microscopic description of the friction…
We have studied the energetics, electronic structure, optical excitation, and electron relaxation of dinitromethane molecules (CH$_{2}$N$_{2}$O$_{4}$) adsorbed on semiconducting carbon nanotubes (CNTs) of chiral index (n,0) (n=7, 10, 13,…
Off-resonant charge transport through molecular junctions has been extensively studied since the advent of single-molecule electronics and it is now well understood within the framework of the non-interacting Landauer approach. Conversely,…
Neutrino energy losses through neutral weak currents in the triplet-spin superfluid neutron liquid are studied for the case of condensate involving several magnetic quantum numbers. Low-energy excitations of the multicomponent condensate in…
We reveal an interplay between temperature and radical concentration necessary to establish thermal mixing (TM) as an efficient dynamic nuclear polarization (DNP) mechanism. We conducted DNP experiments by hyperpolarizing widely used DNP…
Pebble bed reactor (PBR) operation presents unique advantages and challenges due to the ability to continuously change the fuel mixture and excess reactivity. Each operation parameter affects reactivity on a different timescale. For…
A previously proposed non-canonical coupled-perturbed Kohn-Sham density functional theory (KS-DFT)/Hartree-Fock (HF) treatment for spin-orbit coupling is here generalized to infinite periodic systems. The scalar-relativistic periodic…
Based on a recent work on traveling waves in spatially nonlocal reaction-diffusion equations, we investigate the existence of traveling fronts in reaction-diffusion equations with a memory term. We will explain how such memory terms can…
We present the first measurements of reaction-in-flight (RIF) neutrons in an inertial confinement fusion system. The experiments were carried out at the National Ignition Facility, using both Low Foot and High Foot drives and cryogenic…
The dynamics and the transition to the centrifugal regime are studied analytically and numerically for particles in rotating drum. The importance of the particle-wall friction coefficient is demonstrated by studying first the motion of one…
Renewable energy is critical for combating climate change, whose first step is the storage of electricity generated from renewable energy sources. Li-ion batteries are a popular kind of storage units. Their continuous usage through…
The small energy exchange via nucleon recoils in neutrino-nucleon scattering is now supposed to be one of the important factors for successful explosion of core-collapse supernovae (CCSNe) as they can change neutrino spectra through…
Based on the non-equilibrium Green's function (NEGF) coupled with density function theory (DFT), namely, NEGF-DFT quantum transport theory, we propose an efficient formalism to calculate the transient current of molecular devices under a…
An effective radiative divertor maximizes the utilization of atomic processes to spread out the energy deposition to the divertor chamber walls and to reduce the peak heat flux. Because the mixture of neutral atoms and ions in the divertor…
The accurate calculation and uncertainty quantification of the characteristics of spent nuclear fuel (SNF) play a crucial role in ensuring the safety, efficiency, and sustainability of nuclear energy production, waste management, and…