California NanoSystems Institute
CNSI
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Vidvuds Ozolins, Ph.D.

   
Professor, Materials Science and Engineering
Member, NanoElectronics, Photonics, Architectonics, NanoMechanical and Nanofluidic Systems, California NanoSystems Institute

Education:
Degrees:
Ph.D., Royal Institute of Technology, Sweden, 1998
M.S., University of Latvia, 1993
B.S., University of Latvia, 1992

Professional Societies:
Principle Member of Technical Staff, Sandia National Laboratories

Education:
Fellowship:
Postdoctoral Fellow, National Renewable Energy Laboratory

Contact Information:
Work Email Address: vidvuds@ucla.edu
Work Address: UCLA
Department of Materials Science and Engineering
Box 951595
Los Angeles, CA 90095
UNITED STATES
Home Page: http://www.seas.ucla.edu/ms/faculty1/ozolins.html
Fax Number: (310) 206-7353
Work Phone Number: (310) 267-5538
Research Interests:

Research focuses on applying the fundamental physical theories of quantum mechanics, statistical mechanics and kinetics to problems in the area of materials science. Current research directions include: (i) study of nanoscale self-assembly and ordered pattern formation on metal and semiconductor surfaces, (ii) modeling of alloy film growth and structure, (iii) computational design of new high-performance thermoelectric materials, and (iv) new materials for reversible hydrogen storage. I also develop new theoretical approaches to modeling of thermodynamic properties, phase transformations and transport properties of complex materials.


Technical Research Interest:

Prof. Ozolin's research deals with theoretical understanding and design of advanced materials using computational modeling. Using a parameter-free first-principles approach, he uses quantum mechanics and statistical mechanics to study electronic structures, interatomic bonding and microscopic kinetic processes in modern high-performance materials. Current research directions include: (i) study of nanoscale self-assembly and ordered pattern formation on metal and semiconductor surfaces, (ii) modeling of alloy film growth and structure, (iii) new nanostructured materials for reversible hydrogen storage. His research group also develops new computational algorithms for predicting crystal structures and physical properties of complex materials.



Selected Publications:

Majzoub EH, Zhou F, Ozolins V, First-Principles Calculated Phase Diagram for Nanoclusters in the Na-Al-H System: A Single-Step Decomposition Pathway for NaAlH4, J. Phys. Chem. C, 2011, 115 (6), 2636-43.
J. M. An, S. V. Barabash, V. Ozolins, M. van Schilfgaarde, and K. D. Belashchenko, First-principles study of phase stability of Gd-doped EuO and EuS, Phys. Rev. B, 2011, 83 (6).
Michel, K.; Yongduo Liu; Ozolins, V, Atomic structure and SiH4-H2 interactions of SiH4(H2)2 from first principles, Physical Review B, 2010, 82 (17), 174103.
Shenyan Huang, Daniel L. Worthington, Mark Asta, Vidvuds Ozolins, Gautam Ghosh and Peter K. Liaw, Calculation of impurity diffusivities in α-Fe using first-principles methods , Acta Materialia, 2010, 58 (6), 1982-93 .
S. V. Barabash and V. Ozolins , Order, miscibility, and electronic structure of Ag(Bi,Sb)Te2 alloys and (Ag,Bi,Sb)Te precipitates in rocksalt matrix: A first-principles study, Phys. Rev. B , 2010, 81 (7), 075212-21.
Yongsheng Zhang, Eric Majzoub, Vidvuds Ozolins, and Chris Wolverton, Theoretical prediction of different decomposition paths for Ca(BH4)(2) and Mg(BH4)(2), Phys. Rev. B, 2010, 82 (17), 174107.
Lee, Y. S. Kim, Y. Cho, Y. W. Shapiro, D. Wolverton, C. Ozolins, V., Crystal structure and phonon instability of high-temperature beta-Ca(BH4)(2), Physical Review B, 2009, 79 (10), 104107.
Ozolins, V., First-Principles Calculations of Free Energies of Unstable Phases: The Case of fcc W, Physical Review Letters, 2009, 102 (6), 065702.
Ozolins, V. Majzoub, E. H. Wolverton, C., First-Principles Prediction of Thermodynamically Reversible Hydrogen Storage Reactions in the Li-Mg-Ca-B-H System, Journal of the American Chemical Society, 2009, 131 (1), 230-7.
Michel KJ, Akbarzadeh AR, Ozolins V, First-Principles Study of the Li-Mg-N-H System: Compound Structures and Hydrogen-Storage Properties, JOURNAL OF PHYSICAL CHEMISTRY C , 2009, 113 (32), 14551-8 .
V Ozolins, A R Akbarzadeh, H Gunaydin, K Michel, C Wolverton and E H Majzoub , First-principles computational discovery of materials for hydrogen storage, Journal of Physics: Conference Series, 2009, 180 (1), 012076-89.
Akbarzadeh, A.R.; Wolverton, C.; Ozolins, V., First-principles determination of crystal structures, phase stability, and reaction thermodynamics in the Li-Mg-Al-H hydrogen storage system, Physical Review B, 2009, 79 (18), 184102-12.
Xu, D. Sriram, V. Ozolins, V. Yang, J. M. Tu, K. N. Stafford, G. R. Beauchamp, C., In situ measurements of stress evolution for nanotwin formation during pulse electrodeposition of copper, Journal of Applied Physics, 2009, 105 (2), 023521.
Chul Kim; Son-Jong Hwang; Bowman, R.C., Jr.; Reiter, J.W.; Zan, J.A.; Kulleck, J.G.; Kabbour, H.; Majzoub, E.H.; Ozolins, V., LiSc(BH4)4 as a hydrogen storage material: multinuclear high-resolution solid-state NMR and first-principles density functional theory studies, Journal of Physical Chemistry C, 2009, 113 (22), 9956-68 .
Fei Zhou; Ozolins, V., Obtaining correct orbital ground states in f-electron systems using a nonspherical self-interaction-corrected LDA+U method, Physical Review B , 2009, 80 (12), 125127-33.
Yang, J. Sudik, A. Siegel, D. J. Halliday, D. Drews, A. Carter, R. O. Wolverton, C. Lewis, G. J. Sachtler, J. W. A. Low, J. J. Faheem, S. A. Lesch, D. A. Ozolins, V., A self-catalyzing hydrogen-storage material, Angewandte Chemie-International Edition, 2008, 47 (5), 882-7.
Wolverton, C. Siegel, D. J. Akbarzadeh, A. R. Ozolins, V., Discovery of novel hydrogen storage materials: an atomic scale computational approach, Journal of Physics-Condensed Matter, 2008, 20 (6), 064228.
Barabash, S. V. Ozolins, V. Wolverton, C., First-Principles Theory of Competing Order Types, Phase Separation, and Phonon Spectra in Thermoelectric AgPbmSbTem+2 Alloys, Physical Review Letters, 2008, 101 (15), 155704 .
Ozolins, V. Majzoub, E. H. Wolverton, C., First-principles prediction of a ground state crystal structure of magnesium borohydride, Physical Review Letters, 2008, 100 (13), 135501.
Gunaydin, H. Barabash, S. V. Houk, K. N. Ozolins, V., First-principles theory of hydrogen diffusion in aluminum, Physical Review Letters, 2008, 101 (7), 075901.
Yang, B. Muppidi, T. Ozolins, V. Asta, M., First-principles theory of nanoscale pattern formation in ultrathin alloy films: A comparative study of Fe-Ag on Ru(0001) and Mo(110) substrates, Physical Review B, 2008, 77 (20), 205408.
Xu, D. Sriram, V. Ozolins, V. Yang, J. M. Tu, K. N. Stafford, G. R. Beauchamp, C. Zienert, I. Geisler, H. Hofmann, P. Zschech, E., Nanotwin formation and its physical properties and effect on reliability of copper interconnects, Microelectronic Engineering, 2008, 85 (10), 2155-8 .
Majzoub, E. H. Ozolins, V., Prototype electrostatic ground state approach to predicting crystal structures of ionic compounds: Application to hydrogen storage materials, Physical Review B, 2008, 77 (10), 104115.
Lei, B.; Yao, Y.; Kumar, A.; Yang, Y.; Ozolins, V., Quantifying the relation between the morphology and performance of polymer solar cells using Monte Carlo simulations, Journal of Applied Physics, 2008, 104 (2), 024504.
Yang, B. Muppidi, T. Ozolins, V. Asta, M., Strong effect of substrate symmetry and pre-patterning on self-assembly of compositional patterns, Surface Science, 2008, 602 (18), L123-L126.
Gunaydin, H. Houk, K. N. Ozolins, V., Vacancy-mediated dehydrogenation of sodium alanate, Proceedings of the National Academy of Sciences of the United States of America, 2008, 105 (10), 3673-7.
Akbarzadeh, A. R. Ozolins, V. Wolverton, C., First-principles determination of multicomponent hydride phase diagrams: application to the Li-Mg-N-H system, Advanced Materials, 2007, 19 (20), 3233 - 3239.
Lewis, G. J. Sachtler, J. W. A. Low, J. J. Lesch, D. A. Faheem, S. A. Dosek, P. M. Knight, L. M. Halloran, L. Jensen, C. M. Yang, J. Sudik, A. Siegel, D. J. Wolverton, C. Ozolins, V. Zhang, S., High throughput screening of the ternary LiNH2-MgH2-LiBH4 phase diagram, Journal of Alloys and Compounds, 2007, 446-447, 355-359 .
Wolverton, C. Ozolins, V., Hydrogen storage in calcium alanate: First-principles thermodynamics and crystal structures, Physical Review B, 2007, 75 (6), 064101.
Yang, J. Sudik, A. Siegel, D. J. Halliday, D. Drews, A. Carter, R. O. Wolverton, C. Lewis, G. J. Sachtler, J. W. A. Low, J. J. Faheem, S. A. Lesch, D. A. Ozolins, V., Hydrogen storage properties of 2LiNH(2)+ LiBH4+MgH2, Journal of Alloys and Compounds, 2007, 446-447, 345-349 .
Siegel, D. J. Wolverton, C. Ozolins, V., Reaction energetics and crystal structure of Li4BN3H10 from first principles, Physical Review B, 2007, 75 (1), 014101.
C. Wolverton and V. Ozolins, First-principles aluminum database: Energetics of binary Al alloys and compounds, Physical Review B, 2006, 73 (14), 144104.
Ravi, C. Wolverton, C. Ozolins, V., Predicting metastable phase boundaries in Al-Cu alloys from first-principles calculations of free energies: The role of atomic vibrations, Europhysics Letters, 2006, 73 (5), 719-725.
Ardell, A. J. Kim, D. Ozolins, V., Ripening of L1(2)Ni(3)Ti precipitates in the framework of the trans-interface diffusion-controlled theory of particle coarsening, Zeitschrift Fur Metallkunde, 2006, 97 (2), 295-302.
B. Magyari-Kope, V. Ozolins, and C. Wolverton, Theoretical prediction of a novel ground state structure for Li2NH, Physical Review B, 2006, 73 (22), 220101.
V. Ozolins, B. Sadigh, and M. Asta, Effects of vibrational entropy on the Al-Si phase diagram, Journal of Physics: Condensed Matter , 2005, 17 (13), 2197-2210.
E.H. Majzoub, K.F. McCarty, and V. Ozolins, Lattice dynamics of NaAlH4 from high-temperature single-crystal Raman scattering and ab initio calculations: Evidence of highly stable AlH-4 anions, Physical Review B, 2005, 71 (2), 024118.
D. de Fontaine, V. Ozolins, Z. Islam, and S. C. Moss, Origin of modulated structures in YBa2Cu3O6.63: A first-principles approach, Physical Review B, 2005, 71 (21), 212504.
Ardell, AJ; Ozolins, V, Trans-interface diffusion-controlled coarsening, Nature materials, 2005, 4 (4), 309-16.
Kim, H. J. Zhao, Z. M. Liu, J. Ozolins, V. Chang, J. Y. Xie, Y. H., A technique for the measurement of surface diffusion coefficient and activation energy of Ge adatom on Si(001), Journal of Applied Physics, 2004, 95 (11), 6065-71.
Ozolins, V. Majzoub, E. H. Udovic, T. J., Electronic structure and Rietveld refinement parameters of Ti-doped sodium alanates, Journal of Alloys and Compounds, 2004, 375 (1-2), 1-10 .
Wolverton, C. Ozolins, V. Asta, M., Hydrogen in aluminum: First-principles calculations of structure and thermodynamics, Physical Review B, 2004, 69 (14), 14410.
Marquis, E. A. Seidman, D. N. Asta, M. Woodward, C. Ozolins, V., Mg segregation at Al/Al3Sc heterophase interfaces on an atomic scale: Experiments and computations, Physical Review Letters, 2003, 91 (3), 036101.
B. Krack, V. Ozolins, M. Asta, and I. Daruka., 'Devil's Staircases' in bulk-immiscible ultrathin alloy films, Physical Review Letters , 2002, 88 (18), 186101.
V. Ozolins, M. Asta, J. J. Hoyt., Elastic relaxations in ultrathin epitaxial alloy films, Physical Review Letters, 2002, 88 (9), 096101.
C. Wolverton, X.-Y. Yan, R. Vijayaraghavan, and V. Ozolins, Incorporating first-principles energetics in computational thermodynamics approaches, Acta Materialia , 2002, 50 (9), 2187-2197.
G. E. Thayer, N. C. Bartelt, V. Ozolins, A. K. Schmid, S. Chiang, and R. Q. Hwang., Linking surface stress to surface structure: Measurement of atomic strain in a surface alloy using STM, Physical Review Letters, 2002, 89 (3), 036101.