Our research is focused mainly on three classes of problems related to
the kinetics of chemical reactions and the atomic/electronic structure
calculations of the defects in solids, as well as plasma physics.
One of our main aims is the study of many-particle (cooperative)
effects in kinetics of bimolecular reactions in condensed matter,
including radiation defects. Most of this research is based on a novel
formalism of many-particle densities
described in our book
[E.A. Kotomin and V.N. Kuzovkov, "Modern aspects of
diffusion-controlled reactions" (Amsterdam: Elsevier, 1996)].
Surface-induced reactions are known to play
a very important role in heterogeneous catalysis.
We study these reactions with emphasis on such fundamental
phenomena as pattern formation,
reactant self-organisation, regular and irregular
reactant concentration oscillations as well
as chaotical behavour in the case of simple
reactions on low-index crystalline surfaces.
Another two activities deal with the growth mode
of thin metallic films on oxides and diffusion in ceramics,
composites and heterogeneous media which is of great importance
for the interpretation of experimental data.
We use methods of parallel computer simulations
in first-principles (ab initio), molecular dynamics, as well as empirical,
shell modelling of numerous prospective technological materials used, e.g. in cathodes of solid oxide fuel cells and lithium batteries.
For advanced perovskites and ferroelectrics, we mainly simulate
defect-induced and surface-induced processes.
In our theoretical studies (closely cooperated with experimental groups)
we combine fundamental research (the Anderson localization)
with very applied and technologically important problems
Our research is performed in cooperation
with many partners (see more Collaborations), in the framework of a number
of integrated programmes, e.g., EUROATOM (both fission [modelling of
advanced nuclear fuels] and fusion
[Y-strengthened radiation-resistant steels]), as well as CATHERINE (CNT nanoelectronics).
Scheme of the multiscale simulation of CNT-interconnected IC backend structure
We combine several different techniques, including analytical formalisms
and large-scale computer simulations
(quantum chemical methods, molecular dynamics, stochastic simulations as well
as Monte Carlo/cellular automata modeling).
See more Equipment and
Latvian Super Cluster Homepage
Our current activities cover
Kinetics of diffusion-controlled processes,
with emphasis on pattern formation and catalytic surface reactions;
The atomic and electronic structure of advanced oxide materials,
with emphasis on calculations of properties of defects and surfaces;
Nanostructures and nanomaterials;
Modelling of nuclear fuels;
Low dimensional disordered systems;
Thermodynamics of advanced materials: bulk, surfaces and interfaces;
Stochastization of magnetic field lines in magnetized fusion plasma;
Our laboratory research is supported by:
1. EUROATOM-Latvia Fusion Project (in close collaboration with Germany, Greece, Finland and Romania),
2. EC Framework 7 project CATHERINE (Carbon nAnotube Technology for High-speed
nExt-geneRation nanoInterconNEcts; in close collaboration with
Italy, France, Netherlands, Sweden and Romania),
3. EC Framework 7 project on Advanced Nuclear Fuels F-Bridge (Basic Research for Innovative Fuel Design
for GEneration IV systems; in close collaboration with France,
Germany, and Czech Republic)
4. Euratom Actinet networking project,
5. Latvian Materials Science Programme,
6. Latvian National Programme on Energetics,
7. Functional Materials and Technologies for Microelectronics and Photonics (Project No 05.0005.1.1),
8. European Social Fund.
1. Nanomaterials and Nanotechnologies (Project No 05.0026.1.1),
2. Polar Dielectrics: Application - Grade Simulation and Optimization
(Project No 05.1704),
F.Cander medal of Latvian Academy of Sciences (E. Kotomin, 1997),
Humboldt Followships (V.Kuzovkov, 1988, S. Piskunov 2006).
Recent PhD Theses:
G. Zvejnieks (2001, Osnabrueck University, Germany)
S. Piskunov (2003, Osnabrueck University, Germany)
V.Kashcheyevs (2006, Tel-Aviv University, Israel)
D.Gryaznov (2006, Max Planck Institute, Stuttgart)
- Sickafus K. and Kotomin E.A. (eds.)
Radiation Effects in Solids. - NATO ASI Science series II,
Physics, Chemistry, Mathematics, 2006, vol. 235, Amsterdam, Berlin, Oxford, 560 p.
- Catlow C.R.A. and Kotomin E.A. (eds.)
Computational Materials Science.-
NATO Science series III. Computer and System Sciences, 2003, vol. 187,
Amsterdam, Berlin, Oxford.
- Kotomin E.A. and Kuzovkov V.N., Modern
Aspects of Diffusion-Controlled Processes: Cooperative Phenomena
in Bimolecular Reactions. - Amsterdam: Elsevier (Vol. 34
in a series of Comprehensive Chemical Kinetics), 1996, 612
- Kantorovich L.N., Kotomin E.A., Kuzovkov V.N.,
Shluger A.L., Tale I.A., and Zakis Yu.R., Models of defect
processes in wide-gap solids (Russ). - Riga: Zinatne, 1991,
- Evarestov R.A., Kotomin E.A., and Ermoshkin
A.N., Molecular models of point defects in wide-gap solids
(Russ). - Riga: Zinatne, 1983. 287 p.
- Rolov B.N., Ivin V.A., and Kuzovkov V.N.,
Statistics and kinetics of phase transitions in solid state
(Russ). - Riga: Zinatne, 1979, 179
- Yu.F. Zhukovskii, E.A. Kotomin, R.A. Evarestov, and D.E. Ellis,
Periodic models in quantum chemical simulations of F centers in crystalline metal oxides. - Intern. J. Quant. Chem., 2007, 107, p. 2956-2985.
- E.A. Kotomin and A.I. Popov, The kinetics of radiation-induced point defect
aggregation and metallic colloid formation in ionic solids. In: Radiation
Effects in Solids (NATO ASI Science Series II. Physics, Chemistry and
Mathematics, Vol. 235), Amsterdam, Berlin, Oxford, 2006, p. 153-192.
- E.A. Kotomin, R.I. Eglitis, G. Borstel, and P.W.M. Jacobs, Modelling of point
defects, polarons and exitons in ferroelectric perovskites. In: Computational
Materials Science (NATO Science series III. Computer and System Sciences,
Vol. 187), Amsterdam, Berlin, Oxford, 2003, p. 291-307.
- E.A. Kotomin, E. Heifets, P.W.M. Jacobs, G. Borstel, W.A. Goddard
Theoretical simulations of surface relaxation for perovskite titanates. -
In: Proc. NATO ARW on Defects and Surface - Induced Effects in Advanced Perovskites,
Riga, August 1999 (Kluwer 2000), p. 209-220.
- V.N. Kuzovkov, Aggregation and Structure
Formation in Reaction-Diffusion Processes in Chemical Systems. -
In: Aggregation phenomena in complex systems (Chapter Nr
8), Eds. J. Schmelzer, G. Röpke, R. Mahnke (Weinheim:
Wiley-VCH, 1999), p. 205-239.
- E.A. Kotomin and A.I. Popov Radiation-Induced Point Defects
in Simple Oxides. - Proc. Int. Conference on Radiation Effects in Insulators (REI-9),
Nuclear Instruments and Methods, 1998, B 141, p.1-15.
- E.A. Kotomin and V.N. Kuzovkov, Phenomenological Theory of
the Recombination and Accumulation Kinetics of Radiation Defects
in Ionic Solids. - Rept. Progr. Phys., 1992, 55, p.
- V.L. Vinetsky, Yu.R. Kalnin, E.A. Kotomin, and
A.A. Ovchinnikov, Radiation-induced Frenkel Defect Aggregation in Solids. -
Sov. Phys.-Uspekhi, 1990, 33, p.793-811.
- V.N. Kuzovkov and E.A. Kotomin, Kinetics of Bimolecular
Reactions in Condensed Media. - Rept. Progr. Phys., 1988,
51, p. 1479-1524.
- A.B. Doktorov and E.A. Kotomin Theory of Tunnelling
Recombination of Defects Stimulated by Their Motion. (I). General
formalism. - Phys. Stat. Solidi (b), 1982, 114, p.
- E.A. Kotomin and A.V. Doktorov Theory of Tunnelling
Recombination of Defects Stimulated by Their Motion. (II). Three
Recombination Mechanisms. - Phys. Stat. Solidi (b), 1982,
114, p. 287-318.
See also publications
Last Updated: March 14, 2008