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Statistical Thermodynamics for Nano-Crystalline Materials

Statistical Thermodynamics for Nano-Crystalline Materials

Olga Semenova (ORCID: 0000-0002-5408-6685)
  • Grant DOI 10.55776/P16498
  • Funding program Principal Investigator Projects
  • Status ended
  • Start July 1, 2003
  • End June 30, 2007
  • Funding amount € 198,514
  • Project website

Disciplines

Chemistry (100%)

Keywords

    New Nano-Crystalline Thin Film Materials, Thin Film Ordering Phenomena, Intermetallics, Point Defects, Thermodynamic Models, Structural,Chemical,Mechanical Propertie

Abstract Final report

New advanced nano-crystalline materials are the key to technological progress and a focus of intensive research activity during last decades. An attractive class of "advanced materials" are the intermetallic compounds and systems produced on their base as thin layer structures. Over several past decades nano-thin film materials on the base of transition metals such as iron silicides or FePt-compounds attracted a world-wide interest due to their strong magnetic properties and high anisotropy associated with the chemical ordering in the structure. These materials found an extensive application in industry in the production of microelectronic and optoelectronic devices and they are also extremely important for modern computer technologies. One of the problems encountered in design and fabrication of new technological materials is to control the processes occurring in the structure under different treatment conditions. To control, for example, crystallization and growth of new phase, recrystallization and recovery, creep, fatigue, rupture, wetting, magnetization, resistivity and etc., a profound basic knowledge of order-disorder phenomena and generation of point defects in the structure of materials is of paramount importance. The knowledge of the defect types and their structure, formation and migration properties in intermetallics is very fragmentary or often completely lacking due to experimental difficulties in the preparation of patterns of good quality and sufficient purity. Furthermore, such experimental methods are very complex, time consuming and expensive. Very often even an experiment alone cannot solve the problem because of numerous possibilities of point defect structures and migration properties in intermetallics. Thus many of the essential thermodynamic data for compounds of industrial interest are missing and still not available. Additionally, an interpretation of ordering phenomena in the structure of many such important and advanced materials as nano-crystalline thin intermetallic films, on the base of currently developed models is still deficient, insufficient and quite contradictory for design of new material systems. It is therefore, the main goal of the presented Project to develop a quantitative, predictive and verifiable theory for description of ordering phenomena in intermetallics and nano-crystalline thin film intermetallic materials.

New advanced nano-crystalline materials are the key to technological progress and a focus of intensive research activity during last decades. An attractive class of "advanced materials" are the intermetallic compounds and systems produced on their base as thin layer structures. Over several past decades nano-thin film materials on the base of transition metals such as iron silicides or FePt-compounds attracted a world-wide interest due to their strong magnetic properties and high anisotropy associated with the chemical ordering in the structure. These materials found an extensive application in industry in the production of microelectronic and optoelectronic devices and they are also extremely important for modern computer technologies. One of the problems encountered in design and fabrication of new technological materials is to control the processes occurring in the structure under different treatment conditions. To control, for example, crystallization and growth of new phase, recrystallization and recovery, creep, fatigue, rupture, wetting, magnetization, resistivity and etc., a profound basic knowledge of order-disorder phenomena and generation of point defects in the structure of materials is of paramount importance. The knowledge of the defect types and their structure, formation and migration properties in intermetallics is very fragmentary or often completely lacking due to experimental difficulties in the preparation of patterns of good quality and sufficient purity. Furthermore, such experimental methods are very complex, time consuming and expensive. Very often even an experiment alone cannot solve the problem because of numerous possibilities of point defect structures and migration properties in intermetallics. Thus many of the essential thermodynamic data for compounds of industrial interest are missing and still not available. Additionally, an interpretation of ordering phenomena in the structure of many such important and advanced materials as nano-crystalline thin intermetallic films, on the base of currently developed models is still deficient, insufficient and quite contradictory for design of new material systems. It is therefore, the main goal of the presented Project to develop a quantitative, predictive and verifiable theory for description of ordering phenomena in intermetallics and nano-crystalline thin film intermetallic materials.

Research institution(s)
  • Universität Wien - 100%
International project participants
  • Jiri Cermak, Academy of Sciences of the Czech Republic - Czechia
  • R. Kozubski, University of Krakow - Poland

Research Output

  • 365 Citations
  • 10 Publications
Publications
  • 2020
    Title Giant enhancement of third-harmonic generation in graphene–metal heterostructures
    DOI 10.1038/s41565-020-00808-w
    Type Journal Article
    Author Alonso Calafell I
    Journal Nature Nanotechnology
    Pages 318-324
  • 2007
    Title Application of micellar and microemulsion electrokinetic chromatography for characterization of gallium(III) complexes of pharmaceutical significance
    DOI 10.1002/jssc.200600305
    Type Journal Article
    Author Timerbaev A
    Journal Journal of Separation Science
    Pages 399-406
  • 2007
    Title Characterization of interactions between human serum albumin and tumor-inhibiting amino alcohol platinum(II) complexes using capillary electrophoresis
    DOI 10.1016/j.chroma.2007.01.017
    Type Journal Article
    Author Aleksenko S
    Journal Journal of Chromatography A
    Pages 218-221
  • 2007
    Title Structure-Activity Relationships for NAMI-A-type Complexes (HL)[trans-RuCl4L(S-dmso)ruthenate(III)] (L = Imidazole, Indazole, 1,2,4-Triazole, 4-Amino-1,2,4-triazole, and 1-Methyl-1,2,4-triazole): Aquation, Redox Properties, Protein Binding, and Antip
    DOI 10.1021/jm061081y
    Type Journal Article
    Author Groessl M
    Journal Journal of Medicinal Chemistry
    Pages 2185-2193
  • 2007
    Title Thermodynamics and nonstoichiometry in the D03 compound Ni3Sb
    DOI 10.1016/j.intermet.2006.10.053
    Type Journal Article
    Author Popovic A
    Journal Intermetallics
    Pages 862-868
  • 2005
    Title Ni3Ga—an investigation of ordering kinetics by residual resistometry
    DOI 10.1016/j.jallcom.2004.05.070
    Type Journal Article
    Author Semenova O
    Journal Journal of Alloys and Compounds
    Pages 290-295
  • 2008
    Title A generalized defect correlation model for B2 compounds
    DOI 10.1016/j.solidstatesciences.2007.11.041
    Type Journal Article
    Author Semenova O
    Journal Solid State Sciences
    Pages 1236-1244
  • 2008
    Title A thermodynamic study of the D03-ordered intermetallic compound Fe3Al
    DOI 10.1016/j.jallcom.2007.04.208
    Type Journal Article
    Author Huang Y
    Journal Journal of Alloys and Compounds
    Pages 277-281
  • 2008
    Title Ordering phenomena and modelling of pair interactions in Ni3Ga compound
    DOI 10.1016/j.jallcom.2007.02.145
    Type Journal Article
    Author Semenova O
    Journal Journal of Alloys and Compounds
    Pages 394-399
  • 2008
    Title A statistical–thermodynamic model for ordering phenomena in thin film intermetallic structures
    DOI 10.1016/j.tsf.2007.08.032
    Type Journal Article
    Author Semenova O
    Journal Thin Solid Films
    Pages 1088-1092

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