Search for dissertations about: "transition-metal carbides"

Showing result 1 - 5 of 25 swedish dissertations containing the words transition-metal carbides.

  1. 1. Atomistic simulation and experimental studies of transition metal systems involving carbon and nitrogen

    University dissertation from Stockholm : KTH

    Author : Jiaying Xie; KTH.; [2006]
    Keywords : TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; Transition metal carbides; Transition metal nitrides; Transition metal carbo-nitrides; Lattice inversion method; Interatomic potential; Atomistic simulation; TECHNOLOGY Chemical engineering Metallurgical process and manufacturing engineering Metallurgical process engineering; TEKNIKVETENSKAP Kemiteknik Metallurgisk process- och produktionsteknik Metallurgisk processteknik;

    Abstract : The present work was initiated to investigate the stability, structural and thermodynamic properties of transition metal carbides, nitrides and carbo-nitrides by atomistic simulations and experimentations.The interatomic pair potentials of Cr-Cr, Mn-Mn, Fe-Fe, C-C, Cr-C, Mn-C, Fe-C, Cr-Fe, Cr-N and Mn-N were inverted by the lattice inversion method and ab initio cohesive energies, and then employed to investigate the properties of Cr-, Mn- and Fe-carbides by atomistic simulations in this work. READ MORE

  2. 2. Thermodynamic investigations of transition metal systems containing coabon and nitrogen

    University dissertation from Materialvetenskap

    Author : Lidong Teng; KTH.; [2004]
    Keywords : TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; Materials science; thermodynamic activity; galvanic cell technique; transition metal carbides; transition metal nitrides; phase equilibrium; Materialvetenskap; TECHNOLOGY Materials science; TEKNIKVETENSKAP Teknisk materialvetenskap;

    Abstract : In view of the important applications of carbides and carbo-nitrides of transition metals in the heat-resistant and hard materials industries, the thermodynamic activities of Cr and Mn in the Cr-C, Fe-Cr-C, Mn-Ni-C and Mn-Ni-C-N systems have been studied in the present work by the use of the galvanic cell technique. CaF2single crystals were used as the solid electrolyte. READ MORE

  3. 3. Reactivity of Transition-Metal Compounds from Electronic Structure

    University dissertation from Materialvetenskap

    Author : Aleksandra Vojvodic; [2009]
    Keywords : TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; NATURVETENSKAP; NATURAL SCIENCES; magnetic edge states; electronic structure; density-functional theory; growth; surface states and resonances; nitrides; density of states; hydrodesulphurisation; sulphides; steam reforming; transition-metal carbides; Bronsted-Evans Polanyi relation; scaling relations; adsorption; descriptor; reactivity; catalysis;

    Abstract : Transition-metal carbides (TMC's), nitrides, and sulfides belong to the class of materials known as transition-metal compounds (TMX's). Besides having intriguing properties, these materials are relevant for, e.g., growth and catalysis. READ MORE

  4. 4. Microstructure aspects of transition metal carbide thin films

    University dissertation from Uppsala : Acta Universitatis Upsaliensis

    Author : Jun Lu; Uppsala universitet.; [1998]
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; Chemistry; vapour deposition; transition metal carbide; nanocrystallinity; epitaxy; Kemi; NATURAL SCIENCES Chemistry; NATURVETENSKAP Kemi; Inorganic Chemistry; oorganisk kemi;

    Abstract : Transition metal carbides are important refractory materials used in many thin film applications. In this thesis, several transition metal carbides have been deposited using different chemical vapour deposition (CVD) and evaporation processes. In particular, the phase composition and microstructure of these carbide films have been studied. READ MORE

  5. 5. A Theoretical Perspective on the Chemical Bonding and Structure of Transition Metal Carbides and Multilayers

    University dissertation from Uppsala : Acta Universitatis Upsaliensis

    Author : Mikael Råsander; Uppsala universitet.; [2010]
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; Electronic structure; transition metal carbides; density functional theory; disorder; multilayers; chemical bonding; materials science; NATURAL SCIENCES Physics Condensed matter physics; NATURVETENSKAP Fysik Kondenserade materiens fysik; Materialvetenskap; Materials Science;

    Abstract : The present thesis deals with a theoretical description of issues regarding chemical bonding, structure and stability of transition metal carbides and multilayered structures.First principles density functional theory has been used extensively to investigate the properties of alloyed solutions of transition metal carbides. READ MORE