Related papers: Fission dynamics, dissipation and clustering at fi…
In traditional finite-temperature Kohn-Sham density functional theory (KSDFT), the well-known orbitals wall restricts the use of first-principles molecular dynamics methods at extremely high temperatures. However, stochastic density…
We investigate the impact of dissipation on the energy balance in the electron dynamics of metal clusters excited by strong electro-magnetic pulses. The dynamics is described theoretically by Time-Dependent Density-Functional Theory (TDDFT)…
Microscopic methods and tools to describe nuclear dynamics have considerably been improved in the past few years. They are based on the time-dependent Hartree-Fock (TDHF) theory and its extensions to include pairing correlations and quantum…
Two major recent developments in theory and computational resources created the favorable conditions for achieving a microscopic description of nuclear fission almost eighty years after its discovery in 1939 by Hahn and Strassmann (1930).…
Dinuclear systems that occur in the post-saddle to scission stage in nuclear fission process are special transient formations. The diabatic evolution at this stage is studied using the methods of non-equilibrium thermodynamics. A novel…
The generalized time-dependent generator coordinate method (TD-GCM) is extended to include pairing correlations. The correlated GCM nuclear wave function is expressed in terms of time-dependent generator states and weight functions. The…
The microscopic description of nuclear fission still remains a topic of intense basic research. Un- derstanding nuclear fission, apart from a theoretical point of view, is of practical importance for energy production and the transmutation…
The real-time electronic dynamics on material surfaces is critically important to a variety of applications. However, their simulations have remained challenging for conventional methods such as the time-dependent density-functional theory…
In nuclei with an odd nucleon number the non-vanishing spin number density is the source of a pseudo-magnetic field, which favors the splitting of the nucleon Cooper pairs. Such an pseudo-magnetic field is generated always in the dynamics…
The transformation of an atomic nucleus into two excited fission fragments is modeled as a strongly damped evolution of the nuclear shape, until scission occurs at a small critical neck radius, at which point the mass, charge, and shape of…
Dynamic density functional theory (DDFT) is a promising approach for predicting the structural evolution of a drying suspension containing one or more types of colloidal particles. The assumed free-energy functional is a key component of…
The fission of highly excited compound nuclei formed in heavy ion induced fusion reactions has emerged as a topic of considerable interest in the recent years. Dissipative dynamical models based on the Langevin equation were developed and…
A rapidly converging 4-dimensional Fourier shape parametrization is used to model the fission process of heavy nuclei. Potential energy landscapes are computed within the macroscopic-microscopic approach, on top of which the…
Dissipative particle dynamics (DPD) does not conserve energy and this precludes its use in the study of thermal processes in complex fluids. We present here a generalization of DPD that incorporates an internal energy and a temperature…
Refractory body-centered cubic (BCC) metals and alloys are of extraordinary importance in modern technological and structural applications. However, their wider adoption in science and technology is severely restricted by low-temperature…
We present the extension of Frozen Density Embedding (FDE) theory to real-time Time Dependent Density Functional Theory (rt-TDDFT). FDE a is DFT-in-DFT embedding method that allows to partition a larger Kohn-Sham system into a set of…
Nuclear time-dependent density functional theory is used to investigate spin generation and entanglement of fission fragments in spontaneous fission of $^{252}$Cf, incorporating both axial and non-axial deformations. Axially symmetric…
A configuration-interaction time-dependent density functional theory (CI-TDDFT) for nuclear dynamics is developed. In this framework, the correlated nuclear many-body wave function is expanded in terms of time-dependent many-particle…
This study explores the role of nucleon exchange for the generation of the fission fragment angular momenta. For a number of typical fission cases, samples of 10,000 shape evolutions are generated by Langevin simulation and, subsequently,…
Ternary fission probabilities for thermal neutron induced fission of plutonium are analyzed within the framework of an evaporation-based model where the complexity of time-varying potentials, associated with the neck collapse, are included…