Related papers: Dissociation, fragmentation and fission of simple …
Discrete element modelling (DEM) is one of the most efficient computational approaches to the fracture processes of heterogeneous materials on mesoscopic scales. From the dynamics of single crack propagation through the statistics of crack…
Fission of doubly charged metal clusters is studied using the open-shell two-center deformed jellium Hartree-Fock model and Local Density Approximation. Results of calculations of the electronic structure and fission barriers for the…
We investigate the finite-temperature evolution of microscopic free-energy corrections in nuclear fission, focusing on pairing and shell effects near scission. The analysis is based on a finite-temperature BCS treatment combined with the…
We show that electronic-entropy effects in the size-evolutionary patterns of relatively small (as small as 20 atoms), simple-metal clusters become prominent already at moderate temperatures. Detailed agreement between our…
Orbital-free (OF) methods promise significant speed-up of computations based on density functional theory (DFT). In this field, the development of accurate kinetic-energy density functionals remains an open question. In this chapter we…
The Ionization Potentials of small Li_N clusters are calculated with a Shell Correction Method. They are used to illustrate that, within the jellium approximation, deformed cluster shapes provide an adequate description of the observed…
Fragmentation can be observed in nature and in everyday life on a wide range of length scales and for all kinds of technical applications. Most studies on dynamic failure focus on the behaviour of bulk systems in one, two and three…
Despite the widespread use of Scanning Transmission Electron Microscopy (STEM) for observing the structure of materials at the atomic scale, a detailed understanding of some relevant electron beam damage mechanisms is limited. Recent…
We first give an overview of the shell-correction method which was developed by V. M. Strutinsky as a practicable and efficient approximation to the general selfconsistent theory of finite fermion systems suggested by A. B. Migdal and…
Fission of metastable charged univalent metal clusters has been studied on example of Na_{10}^{2+} and Na_{18}^{2+} clusters by means of density functional theory methods. Energetics of the process, i.e. dissociation energies and fission…
Scanning Transmission Electron Microscopy (STEM) is a critical tool for imaging the properties of materials and biological specimens at atomic scale, yet our understanding of relevant electron beam damage mechanisms is incomplete. Recent…
The effects of shell closure in nuclei via the cluster decay is studied. In this context, we have made use of the Preformed Cluster Model ($PCM$) of Gupta and collaborators based on the Quantum Mechanical Fragmentation Theory. The key point…
We present a statistical fragmentation study of doubly charged alkali (Li, Na, K) and antimony clusters. The evaporation of one charged trimer is the most dominant decay channel (asymmetric fission) at low excitation energies. For small…
Impact fragmentation is the underlying principle of comminution milling of dry, bulk solids. Unfortunately the outcome of the fragmentation process is more or less determined by the dimensionality of the impactor and its impact velocity.…
The fragmentation of multiply charged atomic sodium clusters of mass 200 is investigated using the Micro-canonical Metropolis Monte Carlo (MMMC) statistical technique for excitation energies up to 200 eV and for cluster charges up to $+9e$.…
Density--functional simulations have been performed on Na$_{55}$, Na$_{92}$ and Na$_{142}$ clusters in order to understand the experimentally observed melting properties [M. Schmidt \textit{et al.}, Nature (London) \textbf{393}, 238…
Molecular fragment or embedding methods are powerful techniques for overcoming scalability limitations in electronic structure theory by dividing large molecular systems into individual units that are small enough to be treated using…
In the present work the formal definition of the scission point - the maximal elongation at which the nucleus splits into two fragments - is given. The shape and the deformation energy at the scission point are calculated within the…
Nuclear fission is still one of the most complex physical processes we can observe in nature due to the interplay of macroscopic and microscopic nuclear properties that decide the result. An example of this coupling is the presence of…
A reflection-asymmetric deformed oscillator potential is analysed from the classical and quantum mechanical point of view. The connection between occurrence of shell structures and classical periodic orbits is studied using the ''removal of…