相关论文: Quantum nuclear motion in silicene: Assessing stru…
The problem of the low-energy highly-anharmonic quantum dynamics of isolated impurities in solids is addressed by using path-integral Monte Carlo simulations. Interstitial oxygen in silicon is studied as a prototypical example showing such…
The plasma turbulence as is well known plays crucial role in the processes of plasma dynamics and transport phenomena. It affects both macroscopic plasma behaviour and distribution of particles, and besides suprathermal component of…
The plasmonic character of monolayer silicene is investigated by time-dependent density functional theory in the random phase approximation. The energy-loss function of the system is analyzed, with particular reference to its induced…
Amorphous silicon (a-Si) is an important thermal-management material and also serves as an ideal playground for studying heat transport in strongly disordered materials. Theoretical prediction of the thermal conductivity of a-Si in a wide…
We investigate how vibration affects molecular photoemission dynamics, through simulations on two-dimension asymmetric model molecules including the electronic and nuclear motions in a fully correlated way. We show that a slight anisotropy…
Smashing nuclei at ultrarelativistic speeds and analyzing the momentum distribution of outgoing debris provides a powerful method to probe the many-body properties of the incoming nuclear ground states. Within a perturbative description of…
Structure and reaction studies with a method of antisymmetrized molecular dynamics (AMD) were reviewed. Applications of time-independent and time-dependent versions of the AMD were described. In applications of time-independent AMD to…
Quantum effects of plasmonic phenomena have been explored through ab-initio studies, but only for exceedingly small metallic nanostructures, leaving most experimentally relevant structures too large to handle. We propose instead an…
An accurate treatment of the structures and dynamics that lead to enhanced chemical reactivity in enzymes requires explicit treatment of both electronic and nuclear quantum effects. The former can be captured in ab initio molecular dynamics…
Dislocations have a profound influence on materials functional properties. In this perspective, we discuss the recent development of quantized dislocations - a theoretical tool that aims to compute the role of dislocations on materials'…
We investigate the quantum correlations in an axially symmetric hybrid qubit-qutrit system subjected to different noisy environments. We first introduce a physical model and analyze its Hamiltonian structure, emphasizing the role of hybrid…
Morphological instability of a planar surface ([111], [011], or [001]) of an ultra-thin metal film is studied in a parameter space formed by three major effects (the quantum size effect, the surface energy anisotropy and the surface stress)…
Understanding heat transport in semiconductors and insulators is of fundamental importance because of its technological impact in electronics and renewable energy harvesting and conversion. Anharmonic Lattice Dynamics provides a powerful…
In order to understand the origin of one-body dissipation in nuclei, we analyze the behavior of a gas of classical particles moving in a two-dimensional cavity with nuclear dimensions. This "nuclear" billiard has multipole-deformed walls…
The primary distinction between solid and liquid phases is mechanical rigidity, with liquids having a disordered atomic structure that allows flow. While melting is a common phase transition, its microscopic mechanisms still remain unclear.…
Independent particle model in nuclear physics assumes that the nucleon in the nucleus moves in the average (mean field) potential generated by all other nucleons. This chapter gives a short overview of basic features of the independent…
It is now established that nuclear quantum motion plays an important role in determining water's hydrogen bonding, structure, and dynamics. Such effects are important to include in density functional theory (DFT) based molecular dynamics…
Multi-nucleon transfer in $^{86}$Kr+$^{64}$Ni at an incident energy of 25 MeV/nucleon is for the first time investigated with a microscopic dynamics model: improved quantum molecular dynamics (ImQMD) model. The measured isotope…
Mechanical shear deformations lead, in some cases, to effects similar to those resulting from ion irradiation. Here we characterize the effects of shear velocity and temperature on amorphous silicon (\aSi) modelled using classical molecular…
We present a complete systematic theoretical study of multifragmentation for asymmetric colliding nuclei for heavy-ion reactions in the energy range between 50 MeV/nucleon and 1000 MeV/nucleon by using isospin dependent quantum molecular…