Related papers: The shape of gold
We present a computational study for the equilibrium shape of gold nanoparticles. By linking extensive quantum-mechanical calculations, based on Density-Functional Theory (DFT) to Wulff construction, we predict equilibrium shapes that are…
Using the Embedded Atom Method as developed by Voter and Chen in combination with the {\it variable metric/quasi-Newton} and our own {\it Aufbau/Abbau} methods, we have identified the three most stable isomers of Au$_N$ clusters with $N$ up…
Density functional molecular dynamics simulations have been carried out to understand the finite temperature behavior of Au$_{19}$ and Au$_{20}$ clusters. Au$_{20}$ has been reported to be a unique molecule having tetrahedral geometry, a…
The magnetic hyperfine structure constants have been calculated for low-lying levels in neutral gold atom and gold-like ion of mercury taking into account Bohr--Weisskopf (BW) effect. BW effect is represented as a product of atomic and…
The shape and orientation of colliding nuclei play a crucial role in determining the initial conditions of the quark-gluon plasma (QGP), which influence key observables such as anisotropic and radial flow. In these proceedings, we present…
Surface alloying is a straightforward route to control and modify the structure and electronic properties of surfaces. Here, We present a systematical study on the structural and electronic properties of three novel rare earth-based…
In this work, we combine electron microscopy measurements of the surface compositions in Cu-Au nanoparticles and atomistic simulations to investigate the effect of gold segregation. While this mechanism has been extensively investigated…
In recent years, nanostructures with hexagonal polytypes of gold have been synthesised, opening new possibilities in nanoscience and technology. As bulk gold crystallizes in the \textit{fcc} phase, surface effects can play an important role…
In this work, we perform a model-to-data comparison for U+U and Au+Au collisions performed at RHIC at $\sqrt{s_{\rm NN}}$ = $193$ GeV and $200$ GeV, using a multistage framework. Model calculations for various configurations of $^{238}$U…
In relativistic heavy-ion collisions, the extractions of properties of quark-gluon plasma (QGP) are hindered by a limited understanding of its initial conditions, where the nuclear structure of the colliding ions play a significant role. In…
We have studied the fragment production mechanism in the set of four reactions 197Au79+12C6, 197Au79+26Al13, 197Au79+63Cu29 and 197Au79+208Pb82. The reactions are simulated at an energy 600 MeV/nucleon and collision geometry is varied from…
This work establishes a deep connection between two seemingly distant branches of nuclear physics: nuclear structure and relativistic heavy-ion collisions. At the heart of this connection is the recent discovery made at particle colliders…
Gold-Silver (Au-Ag) core-shell nanostructures are gaining importance in stretchable electronics where high tensile and fatigue resistance is of paramount importance. This work proposes the parameterization of a modified embedded atomic…
In the present work, the atomic and the electronic structures of Au3N, AuN and AuN2 are investigated using first-principles density-functional theory (DFT). We studied cohesive energy vs. volume data for a wide range of possible structures…
Investigations of cross-sections of deuteron induced nuclear reactions on gold were extended up to 50 MeV by using the standard stacked foil irradiation technique and high resolution gamma-ray spectrometry. New cross-sections are reported…
The newly observed isomer and ground-state band in the odd-Z neutron-rich rare-earth nucleus $^{163}$Eu are investigated by using the cranked shell model (CSM) with pairing treated by the particle-number conserving (PNC) method. This is the…
We study why gold forms planar and cage-like clusters while copper and silver do not. We use density functional theory and norm-conserving pseudo-potentials with and without a scalar relativistic component. For the exchange-correlation…
Using the embedded-atom method, the structure of small copper clusters on Au(111) electrodes has been investigated both by static and dynamic calculations. By varying the size of roughly circular clusters, the edge energy per atom is…
Low-energy vibrational excitations associated with the fluctuation of quadrupole deformed shapes are discussed within the frame of state-of-the-art Configuration Interaction calculations, actually performed via the Quasi-particle Vacua…
Most atomic nuclei are deformed with a quadrupole shape described by its overall strength $\beta_2$ and triaxiality $\gamma$. The deformation can be accessed in high-energy heavy-ion collisions by measuring the collective flow response of…