2011


I. 27th ISSP Conference (Riga, Latvia, February, 2011).

1. A. Gopejenko, Yu.F. Zhukovskii, P.V. Vladimirov, E.A. Kotomin, and A. Möslang, „Ab initio calculations of binding energies between defects in fcc Fe lattice”. Abstracts: p. 6.

2. O. Dumbrajs, „Nuclear power: history, status, prospects”. Abstracts: p. 21.

3. D. Bocharov, Yu.F. Zhukovskii, G. Gryaznov, and E.A. Kotomin, "Oxygen diffusion processes on UN (001) surface”. Abstracts: p. 23.

4. P. Merzlyakov, G. Zvejnieks, V.N. Kuzovkov, E.A. Kotomin, K.D. Li, and L.M. Wang, „Self-organization of vacancy clusters in CaF2:
experimental data analysis and theoretical modeling”. Abstracts: p. 24.

5. V. Pankratov, A.I. Popov, S.A. Chernov, and C. Feldmann, "Mechanism for energy transfer processes between Ce3+ and Tb3+ in LaPO4:Ce, Tb nanocrystals by time-resolved luminiscence spectroscopy”. Abstracts: p. 44.

6. V. Pankratov, L. Shirmane, A.I. Popov, A. Kotlov, and C. Feldmann, „Luminescence of nano- and macrosized LaPO4:Ce,Tb excited by synchrotron radiation”. Abstracts: p. 45.

7. L. Shirmane, V. Pankratov, A.I. Popov, A. Kotlov, and C. Feldmann, „Luminescence properties of YVO4:Eu3+ nanoctystals under synchrotron radiation”. Abstracts: p. 47.

8. R.A. Evarestov, Yu.F. Zhukovskii, S. Piskunov, and A.V. Bandura, „Symmetry and models of single-wall inorganic nanotubes”. Abstracts: p. 49.

9. E. Klotins, A.I. Popov, V. Pankratov, L. Shirmane, and D. Engers, „Polar nanoregions in Pb(Mg1/3Nb2/3)O3 (PMN)”. Abstracts: p. 50.

10. A. Sorokin, D. Bocharov, S. Piskunov, and V. Kashcheyevs, „Quantum chemistry simulations of LaAlO3/SrTiO3 interface electronic structure”. Abstracts: p. 133a.

II. 45th Russian School on Condensed State Physics (St. Petersburg, Russia, March, 2011).

11. D. Bocharov, D. Gryaznov, Yu.F. Zhukovskii, and E.A. Kotomin, „Quantum-chemical modeling of oxidation processes on surface of nitride nuclear fuel”. Abstracts: p. 27.

12. D. Bocharov, A. Kuzmin, J. Purans, and Yu.F. Zhukovskii, „Interpretation of X-Ray absorption spectra using quantum chemistry methods”. Abstracts: p. 28

III. TMS-2011 Annual Meeting, Symposium on Computational Thermodynamics and Kinetics (San Diego, California, USA,  February-March, 2011).

13. R. Glass, D. Fuks, E.A. Kotomin, and J. Maier, "Thermodynamic analysis of phase transformations in Lac Sr1-c MnO3 perovskite solid solutions". Abstracts: p. 249. 

IV. International conference "Functional materials and nanotechnologies" FM&NT-2011 (Riga, Latvia, April, 2011).

14. R. Merkle, L. Wang, Yu.A. Mastrikov, E.A. Kotomin, and J. Maier, “Mechanistic insight into oxygen exchange on mixed conducting oxides from experiments and theory”. Abstracts: p. 13.

15. E.A. Kotomin, R. Merkle, Yu.A. Mastrikov, M.M. Kuklja, D. Fuks, and J. Maier, “First principles modeling of oxygen incorporation into oxygen permeation membranes and SOFC cathodes”. Abstracts: p. 18.

16. Yu.F. Zhukovskii, D. Bocharov, D. Gryaznov, and E.A. Kotomin, “First-principles simulations on initial stage of uranium nitride surface oxidation”. Abstracts: p. 20.

17. O. Dumbrajs, “European gyrotrons for ITER”. Abstracts: p. 21

18. D. Gryaznov, M. Finnis, R.A. Evarestov, and J. Maier, “Thermodynamic calculations on defects in perovskites: DFT and frozen phonon method”. Abstracts: p. 39.

19. E. Blokhin, D. Gryaznov, E.A. Kotomin, R.A. Evarestov, and J. Maier, “Phonon calculations in perfect and defective SrTiO3 perovskites”. Abstracts: p. 65.

20. R.I. Eglitis, “Ab initio calculations of SrTiO3, BaTiO3, PbTiO3, CaTiO3, BaZrO3, SrZrO3 and PbZrO3 (001) and (011) surfaces as well as Nb impurity segregation towards the SrTiO3 surface”. Abstracts: p. 67.

21. Yu.N. Shunin, Yu.F. Zhukovskii, N. Burlutskaya, V.I. Gopeyenko, and S. Bellucci, “Theoretical simulations of fundamental properties of CNT-Me and GNR-Me interconnects for novel electronic nanodevices”. Abstracts: p. 69.

22. I.D. Karbovnyk, V.M. Lesivtsiv, I.M. Bolesta, S.R. Velgosh, I.M. Rovetsky, V. Pankratov, and A.I. Popov, “The luminescence of BiI3   nanoclusters embedded in CdI2 layered crystals”. Abstracts: p. 116.

23. A.I. Popov, V. Pankratov, D. Jakimovicha, E. Klotins, L. Shirmane, and A. Kotlov, “Luminiscence properties of BaZrO3 perovskites under synchrotron radiation”. Abstracts: p. 117.

24. A.I. Popov, V. Pankratov, V. Bratus, and A. Kotlov, “Electronic excitation and luminiscence of 3C-SiC pure and neutron-irradiated silicon carbide”. Abstracts: p. 118.

25. A.I. Popov, V. Pankratov, A. Lushchik, E. Klotins, L. Shirmane, V.E. Serga, L.D. Kulikova, and A. Kotlov, “Comparative study of the luminiscence properties of macro and nanocrystalline MgO using synchrotron radiation”. Abstracts: p. 119.

26. P.V. Savchyn, V.V. Vistovskyy, A.S. Voloshinovskii, V. Pankratov, A. Kotlov, and A.I. Popov, “Luminescence of Eu2+ doped LaCl3   microcrystals embedded into NaCl host”. Abstracts: p. 122.

27. A.F. Fix, R.I. Eglitis, E.A. Kotomin, A.K. Dauletbekova, and F.U. Abuova, “Ab initio calculations of bulk and surface F centers in MgF2”. Abstracts: p. 158.

28. F.U. Abuova, E.A. Kotomin, and A.K. Dauletbekova, “The electronic structure calculations of hole centers in MgF2”. Abstracts: p. 159.

29. R.I. Eglitis, H. Shi, and R. Jia, “Ab initio calculations of surface H centers in BaF2”. Abstracts: p. 160.

30. R.I. Eglitis, L. Yue, R. Jia, X. He, and H. Shi, “First-principles calculations for the H center in SrF2 crystals”. Abstracts: p. 161.

31. R.I. Eglitis, “Semi-empirical Hartree-Fock calculations for pure and Li-doped KTaO3”. Abstracts: p. 162.

32. A. Sorokin, Yu.F. Zhukovskii, J. Purans, and E.A. Kotomin, “Influence of Al and Ga dopants on electronic properties of ZnO: ab initio simulations”. Abstracts: p. 164.

33. A. Gopejenko, Yu.F. Zhukovskii, P.V. Vladimirov, E.A. Kotomin, and A. Möslang, “Ab initio calculations of pair-wise interactions between defects for ODS steels”. Abstracts: p. 165.

34. D. Bocharov, Yu.F. Zhukovskii, D. Gryaznov, and E.A. Kotomin, “UN (110) surface properties: ab initio calculations”. Abstracts: p. 166.

35. D. Gryaznov, E. Heifets, and E.A. Kotomin,” Density functional   theory calculations on magnetic properties of actinide compounds”.   Abstracts: p. 167.

36. E. Klotins, A.I. Popov, and V. Pankratov, “Density functional theory beyond translational invariance: Discrete variable representation”. Abstracts: p. 168.

37. R.A. Evarestov, Yu.F. Zhukovskii, S. Piskunov, A.V. Bandura, and M.V. Losev, “First-principles simulations on double-wall BN and TiO2 nanotubes with hexagonal morphology”. Abstracts: p. 170.

38. N.A. Zaporina, J. Grabis, A. Krumina, M. Maiorov, G. Heidemane, and D. Bocharov, “Methods of obtaining nanodisperse Ni ferrite, their structure and magnetic properties”. Abstracts: p. 183.

V. 9th International Conference "Information Technologies and   Management", IT&M'2011 (Riga, Latvia, April, 2010).

39. Yu.F. Zhukovskii, "Simulation on multi-wall inorganic nanostructures with spherical (0D) and cylindrical (1D) morphology". Abstracts: p. 18-20.  

40. A. Gopejenko, Yu.F. Zhukovskii, P.V. Vladimirov, E.A. Kotomin, and A. Möslang, "Interactions between Y and O impurity atoms as well as Fe vacancies in iron lattice: Ab initio modeling". Abstracts: p. 46.  

41. Yu.N. Shunin, Yu.F. Zhukovskii, N. Burlutskaya, V.I. Gopeyenko, and S. Bellucci, "Theoretical simulations on fundamental properties of CNT-Me and GNR-Me interconnects". Abstracts: p. 131-132.  

VI. Spring European Materials Research Society (E-MRS) Meeting (Nice, France, May, 2011).

42. R.I. Eglitis, “Ab initio calculations of SrTiO3, BaTiO3, PbTiO3, CaTiO3, BaZrO3, SrZrO3 and PbZrO3 (001) and (011) surfaces as well as Nb impurity segregation towards the surfaces/interfaces”. Abstracts: AA-6.

43. R.I. Eglitis, H. Shi, and R. Jia, “Ab initio calculations of surface H centers in BaF2”. Abstracts: BP2-25.

44. E.A. Kotomin, D. Gryaznov, R.A. Evarestov, V.E. Alexandrov, and J. Maier, “Confinement effects for ionic carriers in perovskite ultrathin films”. Abstracts: CL-4.

45. Yu.N. Shunin, Yu.F. Zhukovskii, N. Burlutskaya, and S. Bellucci, “Electric properties of junctions between 1D carbon nanostructures and metal substrate: theoretical simulations”. Abstracts: EP-8.

46. V. Pankratov, A.I. Popov, and E.A. Kotomin, “Polarons in complex oxides”. Abstracts: LP-15.

47. A.I. Popov, E.A. Kotomin, V. Pankratov, and J. Maier, ”Generalization of Rabin-Klick diagram for a whole family of alkali halides”. Abstracts: LP-16.
 
48. L. Petit, A. Svane, E.A. Kotomin, and D. Gryaznov, “First-principles calculations of the electronic and atomic structures of radiation defects in PuO2”. Abstracts: L6-2.

49. A. Gopejenko, Yu.F. Zhukovskii, P.V. Vladimirov, V.A. Borodin, E. A. Kotomin, and A. Möslang, “Modelling of interactions between Y, O and vacancy clusters in fcc Fe lattice”. Abstracts: VP-7.

50. D. Bocharov, Yu.F. Zhukovskii, D. Gryaznov, and E.A. Kotomin, “First-principles simulations on initial stages of UN(001) surface oxidation”. Abstracts: V4-17.

51. D. Gryaznov, M.W. Finnis, and J. Maier, “First principles DFT calculations on La0.875Sr0.125CoxFe1-xO3 and point defects therein”. Abstracts: X13-3.

52. E.A. Kotomin, R. Merkle, Yu.A. Mastrikov, M.M. Kuklja, D. Fuks, S.N. Rashkeev, and J. Maier, “First-principles modeling of oxygen incorporation into SOFC cathode and permeation membranes”. Abstracts: X13-5.

VII. 219th Meeting of Electrochemical Society (Montreal, Canada, May, 2011).

53. E.A. Kotomin, R. Merkle, Yu.A. Mastrikov, M.M. Kuklja, and J. Maier, "First principles modeling of oxygen mobility in perovskite SOFC cathode and oxygen permeation membrane materials". Abstracts B7-976.

54. M.M. Kuklja, Yu.A. Mastrikov, N. Rashkeev, and E.A. Kotomin, "The structural disorder and lattice stability of (Ba,Sr)(Co,Fe)O3 complex perovskites". Abstracts: B7-839.

VIII. Science for Our Nation's Energy Future: Summit and Forum (Washington, D. C., USA, May, 2011).

55. P.K. Jha, V. Kuzovkov, B.A. Grzybowski, and M. Olvera de la Cruz,  "Light induced self assembly of switchable colloids". Abstracts: P1-H24.

IX. International Conference NANOMEETING-2011 (Minsk, Belarus, May, 2011).

56. Yu.F. Zhukovskii, E.A. Kotomin, and S. Piskunov, “First-principles simulations on dissociative adsorption of methane molecules upon nickel substrate resulting in a growth of nanotubes”.

57. Yu.N. Shunin, Yu.F. Zhukovskii, N. Burlutskaya, and S. Bellucci, “Theoretical simulation on electric properties of CNT-Me and GNR-Me interconnects”.

X. The Future European Technologies Conference, FET'2011 (Budupest, Hungary, May, 2011). 

58. Yu.N. Shunin, Yu.F. Zhukovskii, N. Burlutskaya, and S. Bellucci,  "Theoretical simulations on electric properties of CNT-Me and GNR-Me  interconnects using Effective Media Approach".

XI. Regional Conference "Nuclear energy - global trends and perspectives in south-east Europe" (Podgorica, Montenegro, May, 2011).

59. O. Dumbrajs,  "Nuclear fission and fusion: rivals or companions?".

XII. NATO Advanced Research Workshop "Nanomaterials and Nanodevices for Ecological Security" (Jurmala, Latvia, June, 2011). 

60. Yu.N. Shunin, Yu.F. Zhukovskii, N. Burlutskaya, and S. Bellucci, "Simulation of fundamental properties of CNT-metal interconnects for  development of new sensor systems". Abstracts: OA5. 

61. Yu.F. Zhukovskii, "Nanoelectronic devices containing isolated arrays of CNTs contacting to metallic substrate and their ecological  advantage as compared to nowadays microelectronic deviced". Abstracts: OA6. 

62. R.I. Eglitis, "Ab initio calculations of SrTiO3, BaTiO3, PbTiO3, CaTiO3, BaZrO3, SrZrO3, PbZrO3 (001) and (011) nano-surfaces as well as Nb impurity segregation towards the perovskite nano-surfaces". Abstracts: OB-7.

63. V. Pankratov, A.I. Popov, and L. Shirmane, "Luminescence properties of nanosized phosphors under synchrotron radiation". Abstracts: PB04.

64. A.I. Popov, V. Pankratov, L. Shirmane, E. Klotins, and A. Kotlov, "Synchrotron radiation studies on luminescence properties of macro- and nano-sized MgAl2O4". Abstracts: PB05.

65. A. Gopejenko, Yu.F. Zhukovskii, P.V. Vladimirov, E.A. Kotomin, and A. Möslang, "Interaction of O and Y impurity atoms as well as Fe lattice: Ab initio modeling". Abstracts: PB06.

XIII. CECAM workshop on Understanding Structure and Functions of Reducible Oxide Systems (Zaragoza, Spain, June, 2011). 

66. E.A. Kotomin, R. Merkle, J. Maier, Yu. Mastrikov, and M.M. Kuklja, "First-principles simulations of oxygen defects in reducible perovskites". Abstracts: p. 38 

XIV. Annual Monitory Meeting of European Fusion Development Agreement, EFDA - 2011 (Frascati, Italy, June, 2011).

67. Yu.A. Mastrikov, Yu.F. Zhukovskii, E.A. Kotomin, P.V. Vladimirov, and A. Möslang, "Models of point defects in bcc-Fe lattice for simulation of ODS nanocluster".

XV. International Symposium on Reactivity of Solids (Bordeaux, France, June-July, 2011). 

68. R. Merkle, L. Wang, Yu. Mastrikov, E.A. Kotomin, and J. Maier, "Mechanistic insight into oxygen exchange on mixed conducting oxides from experiments and theory". Abstracts: O2 

XVI. 18th International Conference on Solid State Ionics (Warsaw, Poland, July, 2011). 

69. E.A. Kotomin, R. Merkle, Yu.A. Matrikov, M.M. Kuklja, and J. Maier, "First princliples modeling of oxygen vacancy formation and mobility in (Ba,Sr)(Co,Fe)O3-d perovskites".

XVII. 8th International Workshop "Strong Microwaves and Teraherz Waves: Sources and Applications" (Nizhny Novgorod, Russia, July, 2011).

70. D. Constantinescu, O. Dumbrajs, V. Igochine, K. Lackner, R. Meyer-Spasche, H. Zohm, and ASDEX Upgrade team, "A low-dimensional model system for quasi-periodic plasma perturbations". 

XVIII. 16th International conference on Radiation Effects in Insulators, REI-16 (Beijing, China, August, 2011).

71. E.A. Kotomin, D. Gryaznov, R.A. Evarestov, V.E. Alexandrov, and J. Maier, "Confinement effects for oxygen vacancies in nanosized perovskites". Abstracts:.O-7, p. 49.

72. A.I. Popov, E.A. Kotomin, J. Maier, A.Ch. Lushchik, and Ch.B. Lushchik, "Analysis of excitonic mechanism of radiation-induced defect formation in insulating materials". Abstracts: O-1, p. 43.

73. D. Gryaznov, E.A. Kotomin, and S.N. Rashkeev, "GGA+U modeling of basic radiation defects in MOX nuclear fuels". Abstracts: PA-28, p. 124.

XIX. International Symposium on Nano and Giga Challenges in Electronics, Photonics and Renewable Energy, NGC2011 (Moscow, Russia, September, 2011).

74. Yu.N. Shunin, Yu.F. Zhukovskii, N. Burlutskaya, V.I. Gopeyenko, and S. Bellucci, "Theoretical simulations on electronic transport properties of CNT-Me and GNR-Me interconnects". Abstracts: OCMS-4.

XX. International Workshop on Nanoscience and Nanotechnology, n&n-2011 (Frascati, Italy, September, 2011).

75. Yu.N. Shunin, Yu.F. Zhukovskii, V.I. Gopeyenko, N. Burlutskaya, and S. Bellucci, "Simulations on electromagnetic properties for CNT- and GNR-metal interconnect". Abstracts: p. 56-59.

76. Yu.F. Zhukovskii, S. Piskunov, and S. Bellucci, "Theoretical simulations on inter-shell interactions in double-wall carbon nanotubes of different morphology". Abstracts: p. 74-77.

XXI. E-MRS 2011 Fall Meeting (Warsaw, Poland, September, 2011).

77. R. I. Eglitis, "First-principles calculations of  SrTiO3, BaTiO3, PbTiO3, CaTiO3, BaZrO3, SrZrO3 and PbZrO3 (001) and (011) surfaces as well as Nb impurity segregation towards the perovskite surfaces". Abstracts: K IX-4.

78. R. I. Eglitis, H. Shi, R. Jia, L. Yue, and X. He, "Ab initio calculations of  H center in SrF2, surface H centers and aggregation of F centers in BaF2". Abstracts: G III-4.

79. R. I. Eglitis, "Ab initio calculations of  PbZrO3 (001) and (011) surfaces as well as oxygen vacancy at ZrO2-terminated (001) surfaces". Abstracts: H H-33.

XXII. School „Synergy between modelling and experiments for the investigation of nuclear fuels” (Cambridge, UK, September, 2011).  

80. D. Bocharov, Yu.F. Zhukovskii, D. Gryaznov, and E.A. Kotomin, "A comparative study of the UN (100) and (110) surfaces: first principles DFT calculations".

XXIII. European Congress on Advanced Materials and Processes, EUROMAT-2011 (Montpellier, France, September, 2011).

81. A. Weizman, D. Fuks, E.A. Kotomin, and J. Maier, "Ab-initio thermodynamic analysis of the (La,Sr)CoO3 solid solutions".

XXIV. 1st International conference "Nanomaterials: applications & properties" (Alushta, Ukraine, September, 2011).

82. I. Karbovnyk, P. Savchyn, A.I. Popov, A. Huczko, M. Cestelli-Guidi, and C. Mirri, "Infrared characterization of silicon carbide nanowires".


XXV. Materials Science and Technology, MS&T-2011 (Columbus, Ohio, USA, October, 2011).

83. E.A. Kotomin, D. Gryaznov,  L. Petit, and A. Svane, "First principles calculations of the electronic and atomic structure of radiation defects in PuO2". Abstracts: p. 97.

84. E.A. Kotomin, D. Gryaznov, E. Blokhin, R.A. Evarestov, V. Alexandrov, and J. Maier, "Confinement effects for ionic carriers in SrTiO3 ultrathin films". Abstracts: p. 61.

85. E.A. Kotomin, R. Merkle, Yu.A. Mastrikov, M.M. Kuklja, and J. Maier, "First principles calculations of oxygen incorporation into SOFC cathode materials". Abstracts: p. 89.