2015

I. 31th ISSP Conference (Riga, Latvia, February, 2015).

1. O. Dumbrajs, “Applications of girotrons for studies of particles in nuclear and solid state physics”. Abstract: p. 21.

2. A. Platonenko, S. Piskunov, Yu.F. Zhukovskii, and E.A. Kotomin, “Ab initio simulations on neutral point defects and Frenkel pairs in corundum”. Abstract: p. 40.

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 Y, O and VFe diffusion barriers inside fcc-Fe lattice”. Abstract: p. 41.

4. A. Chesnokov, O. Lisovski, D. Bocharov,  S. Piskunov, and  Yu.F. Zhukovskii, “Connection between electronic structure of TiO2 nanotubes and their morphology: Ab initio study". Abstract: p. 42.

5. M. Sokolov, Yu.A. Mastrikov, and E.A. Kotomin, “Optimization of the electron charge density integration parameters using the Bader method”. Abstract: p. 74.

II. 9th International Conference on Materials Science & Engineering, BRAMAT2015 (Brasov, Romania, March, 2015).

6. R. I. Eglitis, “Towards a practical rechargeable 5 Volt Li ion battery using Li2CoMn3O8 as a battery cathode material”. Abstract: p. 24.

7. R. I. Eglitis, “Ab initio calculations of SrTiO3, BaTiO3, PbTiO3 and CaTiO3 perovskite (001), (011) and (111) surfaces”. Abstract: p. 25.

8. R.I. Eglitis, H. Shi, and R. Jia, “Large scale ab initio calculations of the diffusion and aggregation of F centers, as well as bulk and nano-surface H centers in CaF2, BaF2 and SrF2”. Abstract: p. 282.

III. 49th Russian School on Condensed State Physics (St. Petersburg, Russia, March, 2015).

9. А. Platonenko, S. Piskunov, Yu.F. Zhukovskii, and Е.А. Коtomin, "Ab initio simulation of point defects and Frenkel pairs in corundum crystal". Abstract: p. 168.

IV. 4th International Conference "Multifunctional, Hybrid and Nanomaterials (Barcelona, Spain, March, 2015).

10. A.I. Popov, V.P. Savchyn, A. Moskina, E. Elsts, and R.I. Eglitis, "Comparative studies of cathodoluminescence properties of BaZrO3, SrTiO3 and KBr crystals". Abstract: P3.289.

V. PSI Nuclear Materials Workshop (Meiringen, Switzherland, March, 2015).
 
11. D. Bocharov, M. Chollet, M. Krack, J. Bertsch, D. Grolimund, M. Martin, A. Kuzmin, J. Purans, and E.A. Kotomin, "Simulation of chromia-doped uranium dioxide".

VI. 13th International Conference "Information Technologies and Management", IT&M'2015 (Riga, Latvia, April, 2015).

12. Yu.N. Shunin, D. Fink, S. Bellucci, A.E. Kiv, T. Lobanova-Shunina, Yu.F. Zhukovskii, and V.I. Gopeyenko, “Nanotechnology and health nanodiagnostic tools”. Abstract: p. 15-17.

13. Yu.N. Shunin, S. Bellucci, T. Lobanova-Shunina, Yu.F. Zhukovskii, N. Burlutskaya, and V.I. Gopeyenko,”Models and simulations of CNTs- and GNRs-based electromagnetic and spintronic devices”. Abstract: p. 18-20.

14. A. Gopejenko, Yu.F. Zhukovskii, P.V. Vladimirov, V.A. Borodin, E.A. Kotomin, Yu.A. Mastrikov, and A. Möslang, “Ab initio calculations of Y, O and VFe migration barriers inside fcc-Fe lattice”. Abstract: p. 21.

15. Yu.F. Zhukovskii, R.A. Evarestov, and A.V. Bandura, “Photocatalytic efficiency of SrTiO3 nanowires: ab initio modeling”. Abstract: p. 22-23.

16. A. Chesnokov, O. Lisovski, D. Bocharov, S. Piskunov, and Yu.F. Zhukovskii, “Correlation between morphology of TiO2 nanotubes and their photocatalytic abilities: ab initio study”. Abstract: p. 28-29.

17. A. Platonenko, Yu.F. Zhukovskii, S. Piskunov, and E.A. Kotomin, “Ab initio simulations on interstitial oxygen atom in corundum”. Abstract: p. 31.

VII. International Workshop "Advanced Methods of Oxide Materials Characterization" (Riga, Latvia, April, 2015).

18. D. Gryaznov and E.A. Kotomin, "Hybrid density functional calculations on bulk and surface properties of (La,Sr)FeO3".

19. A.I. Popov, "VUV luminescence spectroscopy of perovskites".


VIII. E-MRS 2015 Spring Meeting (Lille, France, May, 2015).

20. R.I. Eglitis, “Towards a practical rechargeable 5 V Li ion battery”. – Abstract: A.9.15.

21. A. Chesnokov, O. Lisovski, D. Bocharov, S. Piskunov, and Yu.F. Zhukovskii, “Ab initio simulations on pristine and doped TiO2 anatase (101) nanotubes”. – Abstract: B/P1.7.

22. G. Kaptagai, T.M. Inerbaev, A.T. Akilbekov, Yu.A. Mastrikov, and E.A. Kotomin, ” Theoretical modeling of water adsorption on the fluorine-doped Co3O4 (111) surface”. – Abstract: B/P2.23.
 
23. V.P. Savchyn, O.I. Aksimentyeva, Yu.Yu. Horbenko, I. Karbovnyk, and A.I. Popov, “Cathodoluminescence study of polystyrene–BaZrO3 hybrid composites”. – Abstract: C/P1.54.

24. D. Bocharov, M. Chollet, M. Krack, A. Kuzmin, J. Bertsch, D. Grolimund, and M. Martin, “Theoretical modeling of pristine and chromium-doped UO2”. – Abstract: F.1.4.

25. Yu.F. Zhukovskii, A. Platonenko, S. Piskunov, and E.A. Kotomin, “Ab initio computer simulations of radiation defects in corundum”. – Abstract: G.2.2. 

26. V.M. Lisitsyn, L.A. Lisitsyna, E.A. Kotomin, A.I. Popov, and J. Maier, “The peculiarities of the excitonic mechanism of defect formation and stabilisation in fluorides”. – Abstract: G.2.3. 

27. A.Ch. Lushchik, Ch.B. Lushchik, A.I. Popov, K. Schwartz, E. Shablonin, O. Sidletskiy, and E. Vasil'chenko, “Influence of complex impurity centers on radiation damage in wide-gap metal oxides”. – Abstract: G.5.3.

28. V.N. Kuzovkov, E.A. Kotomin, A.I. Popov, and R. Vila, “Kinetics of radiation-induced colloid formation in Al2O3 and NaCl crystals”. – Abstract: G.6.4. 
 
29. S. Piskunov and R.I. Eglitis, “Ab initio calculations of F center in SrZrO3 bulk and (001) surfaces as well as SrTiO3/BaTiO3 and SrZrO3/PbZrO3 (001) interfaces”. – Abstract: G/P.3.

30. Yu.A. Mastrikov, P.V. Vladimirov, V.A. Borodin, A. Gopejenko, Yu.F. Zhukovskii, E.A. Kotomin, and A. Möslang, “Interaction of yttrium and oxygen with vacancy clusters within bcc-Fe matrix”. – Abstract: G/P.11.
  
31. A.I. Popov, E.A. Kotomin, and J. Maier, “Analysis of the self-trapped hole center mobility and recombination in alkali halides and complex metal halides”. – Abstract: G/P.20.

32. I. Bolesta, I. Karbovnyk, I. Rovetskii, S. Velgosh, and A.I. Popov, “Morphological evolution of nanostructures in long-term annealed CdI2 crystals”. – Abstract: H/9P.39.

33. M. Arrigoni, T.S. Bjørheim, E.A. Kotomin, and J. Maier, “First principles thermodynamics of oxygen vacancies in ultrathin films of BaZrO3”. – Abstract: M.11.3.   

34. E. Heifets, E.A. Kotomin, R. Merkle, and J. Maier, “Ab initio study of BiFeO3 stability.” – Abstract: M/P.13. 
 
35. Yu.A. Mastrikov, E.A. Kotomin, R. Merkle, M.M. Kuklja, and J. Maier, “Ab initio modelling of oxygen vacancies formation and migration in the bulk and on the surface of complex perovskites for solid oxide fuel cell cathodes”.  – Abstract: M/P.31.

36. V. Dimza, A.I. Popov, L. Kundzina, M. Kundzins, K. Kundzins, M. Livins, and M. Antonova, “Effects of Mn doping on dielectric properties of ferroelectric relaxor PLZT ceramics”. – Abstract: M/P.61.

37. A.U. Abuova, E.A. Kotomin, Yu. A. Mastrikov, T.M. Inerbaev, and A.T. Akilbekov, “LaMnO3 (001) surface doping with Ag and its catalytic effect on the oxygen reduction”. – Abstract: N/P1.9.

38. A. Usseinov, E.A. Kotomin, A.T. Akilbekov, Yu.F. Zhukovskii, J. Purans, and F. Abuova, “Hydrogen migration and stability in ZnO: Ab initio calculations”. – Abstract: N/P2.27.

39. E.A. Kotomin, M.M. Kuklja, D. Fuks, Yu.A. Mastrikov, and J. Maier, “Structural stability of complex perovskites for solid oxide fuel cells from first principles calculations”. – Abstract: N/P2.35.

40. R.I. Eglitis, “Point defects as well as (001), (011) and (111) surfaces in ABO3 perovskites”. – Abstract: O/P.18.

IX. International Conference NANOMEETING-2015 (Minsk, Belarus, May, 2015).

41. Yu.N. Shunin, Yu.F. Zhukovskii, V.I. Gopeyenko, N. Burlutskaya, T. Lobanova-Shunina, and S. Bellucci, "CNTs- and GNRs-based electromagnetic and spintronic devices: Models and simulations".

X. 227th Electrochemical Society Meeting (Chicago, USA, May, 2015).

42. T.S. Bjoerheim, E.A. Kotomin, and J. Maier, "Defect chemistry of CeO2 surfaces from first principles and space charge theory". - Abstract: 1775.

 XI. MMA2015 (Sigulda, Latvia, May, 2015).

43. O. Dumbrajs and H. Kalis, “On numerical simulation of nonstationary oscillations in gyrotrons”.

XII. Platform for Advanced Scientific Computing Conference PASC15 (Zurich, Switzerland, June, 2015).

44. D. Bocharov, M. Krack, and A. Kuzmin, "EXAFS spectra interpretation using molecular dynamics and DFT simulations". – Abstract: M/P.13.

XIII. EuroNanoForum-2015 (Riga, Latvia, June, 2015).

45. A.V. Bandura, R.A. Evarestov, and Yu.F. Zhukovskii, “Comparative analysis of four-faceted [001]-oriented nanowires formed from TiO2 rutile and SrTiO3 cubic phases: Ab initio simulations”.

46. A. Chesnokov, O. Lisovski. S. Piskunov, D. Bocharov, and Yu.F. Zhukovskii, “Photocatalytic properties of doped TiO2 nanotubes: Prediction from first principles”.

47. R.I. Eglitis, “Ab initio calculations of point defects as well as (001), (011) and (111) surfaces in ABO3 perovskites”.

48. Yu.N. Shunin, V.I. Gopeyenko, N. Burlutskaya, T. Lobanova-Shunina, S. Bellucci, and Yu.F. Zhukovskii, “Electromechanical properties of carbon-based nanocomposites for pressure and temperature nanosensors”. 

XIV. 20th International conference on Solid State Ionics (Keystone Colorado, USA, June, 2015).

49. E.A. Kotomin, Yu.A. Mastrikov, R. Merkle, M.M. Kuklja, and J. Maier, "First principles calculations of formation and migration of oxygen vacancies in the bulk and on surface of complex perovskites for solid oxide fuel cell cathodes". Abstract: D4.04.
 
50. T.S. Bjorheim, E.A. Kotomin, and J. Maier, "Defect chemistry of CeO2 surfaces from first principles and space charge theory". Abstract: D8.07.

51. M.M. Kuklja, E.A. Kotomin, D. Fuks, Yu.A. Mastrikov, and J. Maier, "Structural stability of complex perovskites for solid oxide fuel cells from first principles calculations". Abstract: A2.01.

52. M. Arrigoni, E.A. Kotomin, J. Maier and T.S. Bjorheim, "First principles thermodynamics of oxygen vacancies in ultrathin films of BaZrO3". Abstract: A2.04.

XV.11th International Conference on Diffusion in Solids and Liquids DSL-2015  (Munich, Germany, June, 2015).

53. V.N. Kuzovkov and E.A. Kotomin,
"Static and dynamic screening effects in diffusion-controlled self-assembly of charged nanoparticles". Abstract: p. 153.

XVI. 27th Joint Russian-German Workshop on ECRH and Gyrotrons (Greifswald, Germany, June, 2015).

54. O. Dumbrajs and G.S. Nusinovich, “Field formation in the interaction space of gyrotrons”.
          
XVII. 28th International Conference on Defects in Semiconductors (Helsinki, Finland, July, 2015).

55. D. Gryaznov, R. Merkle, and E.A. Kotomin, "Hybrid density-functional calculations on oxygen vacancy behaviour in complex perovskite oxides". Abstract: p.22.

56. R.I. Eglitis, Ab initio calculations of SrTiO3, BaTiO3, PbTiO3 and CaTiO3 perovskite (001), (011) and (111) surfaces. Abstracts: p.30.

57. R.I. Eglitis, H. Shi and R. Jia, First principles calculations of the diffusion and aggregation of F centers, as well as bulk and surface H centers in CaF2, BaF2 and SrF2. Abstracts: p.30.

58. R.I. Eglitis and S. Piskunov, First principles hybrid DFT calculations of F centers in SrZrO3 bulk and (001) surfaces, as well as SrTiO3/BaTiO3 and SrZrO3/PbZrO3 (001) interfaces. Abstracts: p.30.

59. R.I. Eglitis, Towards a practical rechargeable 5 Volt Li ion battery. Abstracts: p.30.

XVIII. 16th International Conference on X-ray Absorption Fine Structure XAFS16 (Karlsruhe, Germany, August, 2015).

60. D. Bocharov, M. Krack, A. Kalinko, J. Purans, F. Rocca, S.E. Ali, and A. Kuzmin, ”Ab initio molecular dynamics simulations of the Sc K-edge EXAFS of scandium trifluoride”. Abstract: p. 107.
 
61. J. Purans, S. Piskunov, D. Bocharov, A. Kalinko, A. Kuzmin, and F. Rocca, ”Local structure of perovskites ReO3 and ScF3 with negative thermal expansion: interpretation beyond the quasiharmonic approximation”. Abstract: p. 141.

62. D. Bocharov, M. Chollet, M. Krack, J. Bertsch, D. Grolimund, M. Martin, A. Kuzmin, J. Purans, and E.A. Kotomin, ”Interpretation of the U L3-edge EXAFS in uranium dioxide using molecular dynamics and density functional theory simulations”. Abstract: p.153.

XIX. 6th International Conference Diffusion Fundamentals  (Dresden, Germany, August, 2015).

63. J.R. Kalnins, E.A. Kotomin, and V.N. Kuzovkov, " Effective diffusion coefficient in one-dimensional heterogeneous solids: a comparison of continuous and discrete lattice models". Abstract: p.27.

64. V.N. Kuzovkov, E.A. Kotomin, A.I. Popov, and R. Vila, " Diffusion-controlled kinetics of metallic colloid formation in irradiated Al2O3, MgO and NaCl crystals". Abstract: p.30.

65. V.N. Kuzovkov, G. Zvejnieks, and E.A. Kotomin, " Diffusion and self-assembly of charged nanoparticles in polar media: a competition between short-range and long-range interactions". Abstract: p.31.

XX. 40th International conference on Infrared, Millimeter and Terahertz Waves (Hong Kong, August, 2015).

66. O. Dumbrajs, E.M. Khutoryan, and T. Idehara, “Hysteresis and frequency tenability of gyrotrons”.

XXI. JA-EU-US RF Heating Technology Workshop (Tokyo, Japan, August – September, 2015).

67. O. Dumbrajs, E.M. Khutoryan, and T. Idehara, “Hysteresis and frequency tenability of gyrotrons”.

XXII. Solid state electrochemistry workshop (Roggensburg, Germany, September, 2015).

68. E.A. Kotomin, D. Gryaznov, and Yu.A. Mastrikov, "Defects in complex perovskites for electrochemical applications".

XXIII. E-MRS 2015 Fall Meeting, Symposium J (Ferroic perovskites for advanced materials) (Warsaw, Poland, September, 2015).

69. D. Gryaznov, M. Arrigoni, E.A. Kotomin, and A.I. Popov, "Hybrid DFT calculations of the electronic and phonon properties of defects in perovskite oxides". Abstract: J6.

 XXIV. 3rd International School-Conference on Atomistic Simulations of Functional Materials (Moscow, Russia, October 2015).

70. E.A. Kotomin, "Ab initio calculations of defects in complex perovskites for energy applications".

XXV. 11th International Conference "Functional Materials and Nanotechnologies" FM&NT-2015 (Vilnius, Lithuania, October, 2015).

71. Yu.N. Shunin, S. Bellucci, Yu.F. Zhukovskii, T. Lobanova-Shunina, N Burlutskaya, and V.I. Gopeyenko, “Modeling and simulation of CNTs- and GNRs-based nanocomposites for nanosensor devices”.  Abstract: p. 45.

XXVI. COST Action CM1104 "Reducible oxides" meeting (Salzburg, Austria, October, 2015).

72. E.A. Kotomin, Yu.A. Mastrikov, M.M. Kuklja, D. Fuks, and J. Maier, "Structural stability of complex perovskites for solid oxide fuel cells: first principles calculations". Abstract: p. 15

73. Yu.A. Mastrikov, E.A. Kotomin,  R. Merkle, M.M. Kuklja, and J. Maier, "Ab initio modeling of oxygen vacancy on LSCF surface". Abstract: p.16

XXVII. First Workshop on Research into Nuclear Fuel in Europe and Materials Modeling and Simulation for Nuclear Fuels Workshop (Karlsruhe, Germany, November, 2015).

74. M. Krack, D. Bocharov, and A. Kuzmin, "Analysis of U L3-edge X-ray absorption spectra for uranium dioxide based on molecular dynamics simulations". Abstract: P.5.3.

XXVIII. Advances in Materials and Processing Technologies conference AMPT (Madrid, Spain, December, 2015).

75. M. Krack, D. Bocharov, and A. Kuzmin, "Structural and electronic properties of chromium doped uranium dioxide". Abstract: RE 7.