2016

I. Workshop on Fundamental Physics of Ferroelectrics (Washington, USA, January - February, 2016).

1. M.M. Kuklja, E.A. Kotomin, D. Fuks, Yu.A. Mastrikov, and J. Maier, "Structural (in)stability of complex perovskites for solid oxide fuel cells: first principles calculations". Abstract, p. 25.

2. E.A. Kotomin, Yu.A. Mastrikov, R. Merkle, M.M. Kuklja, and J. Maier, "First principles calculations of oxygen vacancies in the bulk and on the surface of complex perovskites for solid oxide fuel cell cathodes". Abstracts, p.102.

II. 32th ISSP Conference (Riga, Latvia, February, 2016).

3. A. Gopejenko, Yu.F. Zhukovskii, P.V. Vladimirov, E.A. Kotomin, Yu.A. Mastrikov, V.A. Borodin, and A. Möslang, “Ab initio calculations of O and VFe interaction in fcc Fe lattice”. Abstract: p. 37.

4. V. Savchyn, O. Aksimentyeva, H. Klym, I. Karbovnyk, E. Elsts, J. Jansons, and A.I. Popov, "Comparative studies of cathodoluminscence properties of acceptor-doped BaZrO3 and SrTiO3". Abstract: p. 52.

5. O. Dumbrajs, “Present status of design, development and validation of the European gyrotron for ITER”. Abstract: p. 70.

6. I. Jonane, J. Timoshenko, A. Kuzmin, D. Bocharov, and M. Krack “Temperature dependence of the local structure of scandium fluoride”. Abstract: p. 76.

7. D. Bocharov, M. Krack, A. Kuzmin, J. Purans, and A. Kalinko, “Study of negative-thermal expansion in ScF3 using first principles ab initio molecular dynamics”. Abstract: p. 92.

8. A. Chesnokov, D. Grjaznov, M. Arrigoni, and R.A. Evarestov. “Calculation of pure and doped cerium dioxide properties in bulk phase”. Abstract: p. 93.

9. A. Platonenko, Yu.F. Zhukovskii, S. Piskunov, and E.A. Kotomin, “First principles calculations of interstitial oxygen atom migration paths in corundum”. Abstract: p. 94.

10. A. Gopejenko, Yu.F. Zhukovskii, S. Piskunov, E.A. Kotomin, “Variation of Zr and Ti concentration in PZT: first principles calculations on the electronic structure”. Abstract: p. 95.

11. M. Sokolov, Yu.A. Mastrikov, A. Gopejenko, Yu.F. Zhukiovskii, and E.A. Kotomin,“Ab initio modelling of Y-O complexes in α-Fe matrix”. Abstract: p. 97.

III. 50th Russian School on Condensed State Physics (St. Petersburg, Russia, March, 2016). 

12. D. Bocharov, M. Krack, A. Kuzmin, and J. Purans, "Interpretation of EXAFS spectra using molecular dynamics: comparison of classical and ab initio approach". Abstract: p. 213. 

13. D. Bocharov, Yu.F. Zhukovskii, S. Piskunov, O. Lisovski, and A. Chesnokov, "First principles evaluation of photocatalytic suitability for TiO2-based nanotubes". Abstract: p. 214. 

IV. 14th International Conference "Information Technologies and Management", IT&M'2016 (Riga, Latvia, April, 2016). 

14. Yu.N. Shunin, L. Alfonta, D. Fink, A.E. Kiv, A. Mansharipova, R. Muhamediyev, Yu.F. Zhukovskii, and T. Lobanova-Shunina, “Modelling and simulation of electric response of nanocarbon nanocomposites and nanoporous polymer based structures for nanosensor devices”. Abstract: p. 11-14. 

15. M. Sokolov, Yu.A. Mastrikov, A. Gopejenko, Yu.F. Zhukovskii, and E.A. Kotomin, “Ab initio modelling of Y-O complexes in α-Fe matrix”. Abstract: p. 18-19. 

16. Yu.F. Zhukovskii, O. Lisovski, S. Piskunov, and R.A. Evarestov, “Suitability of doped [0001]-oriented ZnO nanowires of different sizes for photocatalytic applications: DFT-LCAO simulations”. Abstract: p. 20-21. 

17. A. Gopejenko, Yu.F. Zhukovskii, S. Piskunov, and E.A. Kotomin, “First principle calculations of PZT varying Zr and Ti concentrations”. Abstract: p. 22. 

18. A. Platonenko, Yu.F. Zhukovskii, S. Piskunov, and E.A. Kotomin, “Ab initio calculations of charged point defects in corundum”. Abstract: p. 23.

V. E-MRS 2016 Spring Meeting (Lille, France, May, 2016).

19. R.I. Eglitis, “Comparative ab initio calculations of SrTiO3, BaTiO3, PbTiO3 and CaTiO3 (001), (011) as well as (111) surfaces”. – Abstract: AA.P2.3.

20. M. Arrigoni, E.A. Kotomin, J. Maier, D. Gryaznov, and R.A. Evarestov, A comparative ab initio analysis of oxygen vacancies on CeO2(111) surfaces and in the bulk”. - Abstract: BB.1.3.

21. H. Klym, A. Ingram, I. Karbovnyk, O. Shpotyuk, and A.I. Popov, “Influence of water-sorption processes on free-volume defects near grain boundaries in nanostructured MgO-Al2O3 ceramics”. – Abstract: BB.1.6.

22. A.I. Popov, E.A. Kotomin, V.N. Kuzovkov, A. Lushchik, V.M. Lisitsyn, A. Akilbekov, and J. Maier, “Modelling of F center annealing kinetics in neutron- and electron-irradiated MgF2 and MgO crystals”. – Abstract: BB.8.2.

23. R.I. Eglitis, S. Piskunov, and Yu.F. Zhukovskii, “Ab initio calculations of SrZrO3 bulk and surface F centers as well as BaTiO3/SrTiO3, SrZrO3/PbZrO3, and SrTiO3/PbTiO3 heterostructures”. – Abstract: BB.8.3.

24. Yu.A. Mastrikov, P.V. Vladimirov, V.A. Borodin, A. Gopejenko, Yu.F. Zhukovskii, E. A. Kotomin, and A. Möslang, ”Ab initio modelling of nY/mO nanoclusters in bcc Fe lattice”. – Abstract: BB.9.2.

25. Yu.F. Zhukovskii, O. Lisovski, S. Piskunov, and R.A. Evarestov, “Quantum chemical simulations of doped ZnO nanowires for photocatalytic hydrogen generation”. – Abstract: BB.13.2.

26. A.I. Popov, E.A. Kotomin, V.N. Kuzovkov, A. Lushchik, E. Shablonin, and E. Vasil’chenko, “Comparison of the diffusion-controlled F center thermal annealing in neutron- and heavy-ion irradiated Al2O3 crystals”. – Abstract: BB.P1.6.

27. A. Platonenko, Yu.F. Zhukovskii, S. Piskunov, and E.A. Kotomin, “Ab initio simulations of radiation-induced oxygen defects in corundum”. – Abstract: BB.P1.8.

28.  Yu.A. Mastrikov, R. Merkle, E.A. Kotomin, M.M. Kuklja, and J. Maier, “Effect of (La,Sr)MnO3 (001) surface terminations on oxygen reduction reaction rate”. – Abstract: D.1.3.

29. D. Gryaznov, R. Merkle, E. A. Kotomin, and J. Maier, “First principles calculations of protonic defects in La1-xSrxFeO3-delta perovskites”. – Abstract: D.3.3.

30. E.A. Kotomin, M. Arrigoni, J. Maier, and T.S. Bjørheim, “Confinement effects for oxygen vacancies in BaZrO3 ultrathin films”. – Abstract: D.13.7.

31. I. Karbovnyk, I. Olenych, O. Aksimentyeva, A. Stelmashchuk, A.I. Popov, “Nanotubes and nanoparticles in polymer matrices: effect of radiation on physical properties”. – Abstract: J.P28.

32. A.I. Popov, O.I. Aksimentyeva, H. Klym, I. Karbovnyk, E. Elsts , and V.P. Savchyn, “Cathodoluminescence study of acceptor-doped BaZrO3 and SrTiO3“. – Abstract: L.P40.

33. R.I. Eglitis, “Theoretical prediction of the 5 Volt rechargeable Li ion battery using Li2CoMn3O8 as a cathode”. – Abstract: U.P1.18.

VI. School-conference on "Atomistic Simulations of Functional Materials" (Moscow, Russia, May, 2016).

34. E. Kotomin, "Ab initio calculations of defects in perovskite crystals for fuel cell applications".

VII. Functional Oxide Surfaces and Interfaces (FOXSI), (Vienna, Austria, May, 2016).

35. D. Gryaznov, R. Merkle, Y.A. Mastrikov, E.A. Kotomin, and J. Maier, "Mechanism of the oxygen reduction reaction at SOFC cathodes: combined experimental and ab-initio investigations". 

VIII. 6th International Colloids Conference (Berlin, Germany, June, 2016).

36. V.N. Kuzovkov, E.A. Kotomin, A. Lushchik, and A.I. Popov, "Diffusion-controlled kinetics of metallic colloid formation in ionic crystals". Abstract: P006.

37. V.N. Kuzovkov, G. Zvejnieks, E.A. Kotomin, and P. Merzlyakov, "Modelling of metal colloid superlattice formation inirradiated wide gap insulators". Abstract: P007.

IX. 12th International Conference on Diffusion in Solids and Liquids, DSL 2016 (Split, Croatia, June, 2016).

38. V.N. Kuzovkov, E.A. Kotomin, A. Lushchik, and A.I. Popov, "The kinetics of diffusion-controlled recombination of radiation-induced defects in ionic solids". Abstract: DSL122.

X. 12th International Symposium on Systems with Fast Ionic Transport, ISSFIT-12 (Kaunas, Lithuania, July, 2016).

39. E.A. Kotomin, Yu. Mastrikov, and J. Maier, "Structural stability of complex perovskites for solid oxide fuel cells: first principles thermodynamic calculations". Abstracts: p. 15.

40. A.I. Popov, E.A.Kotomin, and J.Maier, "Analysis of the self-trapped hole mobility and recombination in alkali halides and complex metal oxides". Abstracts: p. 115.

XI. College on Multiscale Computational Modeling of Materials for Energy Applications (Trieste, Italy, July 2016).

41. O. Lisovski, S. Piskunov, Yu.F. Zhukovskii, and E. Spohr, "DFT modeling of doped ZnO nanowires with various diameters".

XII. The 19th International Conference on Defects in Insulating Materials, ICDIM'16 (Lyon, France, July, 2016).

42. R.A. Evarestov , Yu.F. Zhukovskii, S. Piskunov, A. Platonenko, E.A. Kotomin, and J. Maier, "Ab initio simulations of interstitial oxygen in corundum". Abstract: Mo-O-15.

XIII. 5th International Workshop on Nanocarbon Photonics and Optoelectronics (Lappeenranta, Finland, August, 2016).

43. Yu.N. Shunin, D. Fink, A.E. Kiv, L. Alfonta, A. Mansharipova, R. Muhamediyev, Yu.F. Zhukovskii, T. Lobanova-Shunina, N. Burlutskaya, V.I. Gopeyenko, and S. Bellucci, "Theory and modelling of physical and bio- nanosensor systems". Abstract: p. 101.

XIX. 29th Symposium On Fusion Technology (Prague, Czech republic, September, 2016).

44. A.I. Popov, E.A. Kotomin, V.N. Kuzovkov, A. Lushchik, and R. Vila, Diffusion-controlled F center thermal annealing in neutron, electron and heavy-ion irradiated insulators". Abstracts: P3.184

XX. E-MRS 2016 Fall Meeting (Warsaw, Poland, September, 2016).

45. A. Platonenko, D. Bocharov, S. Piskunov, Yu.F. Zhukovskii, E. Spohr, P.N. D’yachkov,  "Computer modeling of 3d-metal doped fluorite-structured TiO2 (4,4) nanotubes for efficient hydrogen synthesis from water". Abstract: D.11.2.

46. A. Platonenko, D. Gryaznov, Yu.F. Zhukovskii, S. Piskunov, and E.A. Kotomin, "Ab initio simulations on migration paths of charged oxygen interstitials in corundum". Abstract: T.P.5.

47. D. Bocharov, M. Krack, A. Kuzmin, and J. Purans, "Calculations on structural properties of pure and chromium doped uranium dioxide".  Abstract: T.P.9.

48. D. Bocharov, Yu. Rafalskij, M. Krack, A. Kalinko, S.E. Ali, F. Rocca, R.A. Evarestov, A. Kuzmin, and J. Purans, "Ab initio molecular dynamics study of negative thermal expansion in ScF3". Abstract: U.11.1.

XXI. EU-Japan-USA RF Heating Technology Workshop (Leinsweiler, Germany, September, 2016).

49. O. Dumbrajs and G.S. Nusinovich, "Self-consistent non-stationary theory of gyrotrons".

XXII. IRMMW-THz  2016 conference (Copenhagen, Denmark, September, 2016).
           
50. O. Dumbrajs, T. Saito, Y. Tatematsu, and Y. Yamaguchi,  "Start-up scenario of a high-power pulsed gyrotron for 300 GHz band collective Thomson scattering diagnostics in the Large Helical Device".

XXIII. 25th IEA Annex II Workshop on Radiation Effects in Ceramic Insulators Satellite Meeting during SOFT-29, (Prague, Czech Republic, September, 2016).

51. A.I. Popov, "Thermal annealing of point defects in irradiated insulators".

XXIV. 18th International Conference on Solid State Protonic Conductors (SSPC-18), (Oslo, Norway, September, 2016).

52. D. Gryaznov, R. Merkle, E.A. Kotomin, and J. Maier, "First-principles calculations of protonic defects in (La,Sr)FeO3 perovskites." - Abstract: p.166.

XV. 17th International Workshop on Nanoscience and Nanotechnology, n&n-2016 (Frascati, Italy, September, 2016).

53. Yu.N. Shunin, D. Fink, A.E. Kiv, L. Alfonta, A. Mansharipova, R. Muhamediyev, Yu.F. Zhukovskii, T. Lobanova-Shunina, N. Burlutskaya, V.I. Gopeyenko, and S. Bellucci,  "Physical and bio- nanosensors for medical applications and ecological monitoring". Abstract: p. 50-52.

XVI. International school on Electrochemical Energy Conversion and Storage (Stuttgart, Germany, October, 2016).
 
54. E.A. Kotomin, "Ab initio calculations for oxide functional materials".

XVII. The Nuclear Materials Conference, (Montpellier, France, November, 2016).

55. A.I. Popov, Y.F. Zhukovskii, E.A. Kotomin, A. Platonenko, S. Piskunov, V.N. Kuzovkov, A. Lushchik, and R. Vila, "Computer simulations of radiation damage and defect recombination kinetics in sapphire".   Abstract: P.1.72.