Ivailo Atanasov

Ivailo Atanasov
Medical University of Sofia · Department of Physics and Biophysics

PhD in Physics

About

25
Publications
1,939
Reads
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335
Citations
Citations since 2016
1 Research Item
153 Citations
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20162017201820192020202120220102030
20162017201820192020202120220102030
20162017201820192020202120220102030
Introduction
Ivailo Atanasov currently works at the Medical University of Sofia. He does research in Computational Physics and simulations.
Additional affiliations
November 2016 - present
Medical University of Sofia
Position
  • Professor (Assistant)
November 2013 - November 2016
Bulgarian Academy of Sciences
Position
  • Professor (Assistant)
October 2011 - September 2013
University of Birmingham
Position
  • Marie Curie Fellow
Education
March 2000 - May 2007
Bulgarian Academy of Sciences - Emil Djakov Institute of Electronics
Field of study
  • Modelling of rough surfaces and interfaces
October 1993 - November 1998

Publications

Publications (25)
Article
On the basis of ab-initio calculations, we present a new parametrisation of the Vervisch-Mottet-Goniakowski (VMG) potential [Vervisch et al. Phys. Rev B24, 245411 (2002)] for modelling the oxide-metal interaction. Applying this model to mimic the finite temperature behaviour of large platinum icosahedra deposited on the pristine MgO(100), we find t...
Article
Full-text available
The nanoparticle phase diagram of an immiscible system is studied at the atomic level. Cu-Ag clusters with sizes 1000 and 2000 atoms, resulting from a global minimum search and belonging to icosahedral and crystalline structural motifs, are considered. We present the statistical analysis of the effect of temperature on the solubility of the two ele...
Chapter
We present a topical review of research in the field of metal-coated gold nanorods. By combining synthetic design strategies with state-of-the art characterisation techniques (particularly aberration-corrected scanning transmission electron microscopy) and molecular dynamic simulations, we demonstrate the potential to gain a fundamental understandi...
Article
In this work we address the challenge of furthering our understanding of the driving forces responsible for the metal-metal interactions in industrially relevant bimetallic nanocatalysts, by taking a comparative approach to the atomic scale characterization of two core-shell nanorod systems (AuPd and AuRh). Using aberration-corrected scanning trans...
Article
Full-text available
We introduce a novel empirical model for the adhesion of Pd clusters on the MgO{100} substrate. The new model corrects the known bias of previous models toward structures with large interfaces with the substrate due to the failure to account for the so-called "metal-on-top" effect, i.e., the enhancement of the adhesion due to the presence of other...
Article
Metropolis Monte Carlo sampling in the semi-grand canonical ensemble with empirical potentials is used to predict equilibrium ordered structures and segregation properties of small icosahedral Au–Pd nanoclusters and helical nanowire segments over the whole range of compositions at low temperatures. The cases of free-standing clusters and wires are...
Article
The question of the influence of the environment on the structure and thermodynamic state of a bimetallic cluster is examined, using Metropolis Monte Carlo methods. An embedded atom model is used to estimate metal energies. The environment is modeled at a generic level as a rigid matrix which atoms interact with the atoms of an embedded Au-Pd cuboc...
Article
Full-text available
We address the question of the evolution of a nanostructured system in a metastable state to equilibrium. To this purpose, we use the case study of the transition of an AucorePdshell nanoalloy cluster containing up to about 600 atoms toward the equilibrium Au segregated configuration. We start from a molecular dynamics approach with an embedded ato...
Article
We address the question of the sensitivity of the segregation and ordering properties to the surface energy of Au-Pd alloys and nanoalloys. To this purpose, the parameterization of an EAM potential fitted to the vacancy formation energy was modified in order to predict surface energies closer to the experimentally measured ones. Metropolis Monte Ca...
Article
Equilibrium configurations of bulk and surface Au–Pd alloys as well as of nanoalloy clusters are studied using Metropolis Monte Carlo importance sampling and the embedded atom method. The clusters contain about 1000 atoms. Three ordered bulk phases are predicted at low temperature, centred on compositions around 25%, 50%, and 75% Pd. The predicted...
Article
Full-text available
A multi-range order parameter for binary alloys is considered, valid for bulk materials and nanoparticles. The difference between two common definitions is discussed, arising when applied to small systems. Its properties are illustrated on the example of the order/disorder transitions in Au--Pd fcc bulk materials and nanoparticles. The thermodynami...
Article
The surface composition of an Au-62at%Pd alloy has been studied by means of a catalytic atom probe (CAP) before and after exposures to nitric oxide (NO) at temperatures ranging from 300 to 573K for 20min. Subsequent CAP analysis at 100K revealed a considerable surface enrichment in Pd (to approximately 80at%) after exposure at 573K. This is correla...
Article
Full-text available
Anisotropy and scaling properties of Y Ba2Cu3O7-x thin films grown on SrTiO3 substrate by pulsed laser deposition are studied by using two-point, two-dimensional statistical functions. It is found that films whose deposition conditions differ by the pulse deposition rate and the chemical treatment of the substrate have significantly different aniso...
Article
Full-text available
Recently, core-shell Ag-Co, Ag-Cu, and "onionlike" Cu-Co equilibrium configurations were predicted in the case of isolated face centered cubic (fcc) bimetallic clusters, and three shell onionlike configurations were predicted in the case of ternary metallic clusters with spherical and truncated octahedral morphologies. In the present paper, immisci...
Article
We implement and assess several statistical methods for rough surface morphology characterization, which can largely be divided into two classes. The first class is based on estimation of two-point, quadratic statistical functions and includes: estimates of the sample autocovariance function, sample height-height correlation (also, structure) funct...
Article
Full-text available
We suggest a class of direct sample estimates for the two-point quadratic statistical functions of multidimensional data, which includes: estimates of the sample autocovariance function (AcF), sample mean square increment (also, structure) function, and the estimate of the power spectrum. The central estimate for the class is the sample AcF, which...
Conference Paper
Full-text available
We use the Support Vector Machine method to distinguish fluorescence spectra obtained from demineralized teeth from those obtained from healthy teeth. We find intervals of values for the various parameters of the algorithm, such as dimension, degree of smoothness, etc, as to achieve at least 90% diagnostic accuracy. We argue that the success of the...
Article
We extend molecular beam epitaxy simulations of a two-dimensional (2d) rough surface to the case of realistic three-dimensional (3d) surfaces, i.e. surfaces defined over 2d substrates. The growth of the surface morphology is followed by studying statistics adequate for the simulation conditions, namely 2d autocovariance function and 2d roughness sp...
Article
We implement three versions of a discrete molecular beam epitaxy algorithm for simulation of kinetic roughening and study of the two-point statistics of the generated surface morphology. Using the approximate self-affine symmetry of the surfaces, we construct a two-segmented spectral model and show that it is capable of describing accurately the su...
Article
We consider general d-dimensional random surfaces that are characterized by power-law power spectra defined in both infinite and finite spectral regions. The first type of surfaces belongs to the class of ideal fractals, whereas the second possess both the smallest and the largest scales and physically is more realistic. For both types we calculate...
Article
We study the self-affine properties of growing surfaces generated by using version A of the Eden model (R. Jullien and R. Botet, J Phys A:Math Gen 1985; 18:2279). The analysis is based on two-point surface statistical quantities. A three-segmented spectral model is suggested and shown to be in agreement with the data related to the sample autocovar...
Article
We implement a version of discrete Molecular Beam Epitaxy algorithm and study the two-point statistics of the simulated surface morphology. On the basis of the established self-affine symmetry, we suggest and test a two-segment spectral model for the surface roughness. The different spectral branches are distinguished by different exponents. We the...
Chapter
The studies of the physical phenomena involved in the interface/surface growth and roughening underwent recently a dramatic expansion and activity. The motivation is provided by the fact that a variety of seemingly unrelated natural and industrial processes lead to the formation of interfaces with very complicated morphologies. Among them, vapor de...

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Projects

Project (1)
Project
The main objectives of this project proposal are to relate the macroscopic properties with the structure and physical phenomena on micron and nanometric scale in new multifunctional inorganic materials. In particular, new knowledge will be acquired related to the preparation and the characterization of the structural, magnetic, magneto-electric and microwave properties of novel structures based on single-domain magneto-electrics of the class of hexaferrites (Ba(Sr)MexFe12-xO19, Ba(Sr)2Me2Fe12O22 and Sr3Me2Fe24O41, where Me = Mg, Zn, Ti, Al, Cu, Co)) and deficient perovskites (Pb, Ba (Sr)2Fe2-xMexO5, where Me = Co, Mn, Cr), as well as on combinations thereof. Studies are also envisaged of phase transitions by following temperature or pressure driven changes in the short and long-range order in order to elucidate the interplay between local structural distortions and global magnetoelectric properties. The correlation will be found between the structural particularities and the magnetic, electric and microwave properties of the structures prepared.