Theoretical and experimental studies of ternary and quaternary nitrides for machining and thermoelectric materials PDF Download

Author: Robert Pilemalm
Publisher: Linköping University Electronic Press
ISBN: 9176851141
Category : Non-Classifiable
Languages : en
Pages : 50

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Book Description
Nitrides are used as coatings and thin films for a wide range of applications. The study and use of nitrides in the recent decades have shifted towards ternary, quaternary or even higher order (complex) nitrides. There is an interest to use ternary and quaternary nitrides for machining and thermoelectric materials, because it gives the possibility to choose composition and thereby design the materials properties. This thesis presents research results on TiAlN and and TiAlN-based coatings that are used as hard coatings for machining and on ternary scandium nitrides that are of interest for thin films for thermoelectric applications. The high-pressure high-temperature behavior of cubic TiAlN deposited on cubic boron nitride has been experimentally studied. It has been shown that the spinodal decomposition, which means decomposition into cubic domains enriched in TiN and AlN, is delayed as a result of high pressure compared to ambient pressure. No chemical interaction between coating and substrate occurs. TiZrAlN has been theoretically and experimentally studied at high temperature. The results show that the when Zr-content is decreased and the Al-content is increased the decomposition route changes from nucleation and growth to spinodal decomposition. The microstructure evolution with temperature depends on the initial composition. In the case where the decompositon starts with only spinodal decomposition the microstructure at 1100 °C consists of domains that are larger than in the case where the decomposition occurs by nucleation and growth. ScMN2 (M=V, Nb, Ta) phases have been experimentally demonstrated for M=Nb and Ta in a few studies, but have not been much investigated. In this theseis, their crystal structure, stability, elastic properties, electronic structure and thermoelectric properties have been studied. At 0 K and 0 GPa it has been shown that these three phases are thermodynamically and elastically stable. Additionally, these are narrow-bandgap semiconductors and their thermoelectric properties can be tuned by doping. Pressure has a stabilizing effect on these structures. When pressure increases from 0-150 GPa the elastic constants and moduli increases in the range 53-317 %.

Author: Mohammad Amin Gharavi
Publisher: Linköping University Electronic Press
ISBN: 9179299644
Category :
Languages : en
Pages : 56

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Book Description
Thermoelectricity transforms temperature gradients across thermoelectric material into an external voltage through a phenomenon known as the Seebeck effect. This property has resulted in niche applications such as solid-state cooling for electronic and optoelectronic devices which exclude the need for a coolant or any moving parts and long-lasting, maintenance-free radioisotope thermoelectric generators used for deep-space exploration. However, the high price and low efficiency of thermoelectric generators have prompted scientists to search for new materials and/or methods to improve the efficiency of the already existing ones. Thermoelectric efficiency is governed by the dimensionless figure of merit ????, which depends on the electrical conductivity, thermal conductivity and Seebeck coefficient value of the material and has rarely surpassed unity. In order to address these issues, research conducted on early transition metal nitrides spearheaded by cubic scandium nitride (ScN) thin films showed promising results with high power factors close to 3000 ?Wm?1K?2 at 500 °C. These results are the main motivation behind my thesis where the conducted research is separated into two different routes: • the synthesis and characterization of chromium nitride thin films and its alloys • the study of hypothetical ternary nitrides equivalent to scandium nitride Rock-salt cubic chromium nitride (CrN) deposited in the form of thin films by reactive magnetron sputtering was chosen for its large Seebeck coefficient of approximately -200 ?V/K and low thermal conductivity between 2 and 4 Wm?1K?1. The results show that CrN in single crystal form has a low electrical resistivity below 1 m?cm, a Seebeck coefficient value of -230 ?V/K and a power factor close to 5000 ?Wm?1K?2 at room temperature. These promising results could lead to CrN based thermoelectric modules which are cheaper and more stable compared to traditional thermoelectric material such as bismuth telluride (Bi2Te3) and lead telluride (PbTe). Although cubic CrN has been shown to be a promising material for research with a large power factor, the electrical resistivity limits applications in pure form as the ???? is estimated to be slightly below 0.5. To overcome this issue, I enhanced the thermoelectric power-factor of CrN by alloying it with a conductor, Rock-salt cubic vanadium nitride (VN). VN is a suitable choice as both materials share the same crystal structure and have almost equal lattice constants. Through deposition at 720 °C, where a small amount of VN (less than 5%) and Cr2N is introduced into the film, a reduced electrical resistivity averaged around 0.8 × 10-3 ?cm, Seebeck coefficient value of 270 ?V/K and a power-factor of 9.1 × 10-3 W/mK2 is measured at room temperature, which surpasses the thermoelectric properties of Bi2Te3. Hexagonal dichromium nitride (Cr2N) nano-inclusions increase the charge carrier concentration and act as phonon scattering sites. Single crystal Cr2N was also studied separately, as it shows interesting elastic-plastic mechanical properties and high resistance to oxidation at high temperatures for long periods of time. In the second part of this thesis, hypothetical ternary nitrides equivalent to ScN are investigated for their prospective thermoelectric properties. Scandium nitride has a relatively high thermal conductivity value (close to 10 Wm?1K?1), resulting in a low ????. A hypothetical ternary equivalent to ScN may have a similar electronic band structure and large power factor, but with a lower thermal conductivity value leading to better thermoelectric properties. Thus, the elements magnesium, titanium, zirconium, and hafnium were chosen for this purpose. DFT calculations were used to simulate TiMgN2, ZrMgN2 and HfMgN2. The results show the MeMgN2 stoichiometry to be stable, with two rivaling crystal structures: trigonal NaCrS2 and monoclinic LiUN2. The calculated electronic band structure of these compounds shows a direct band-gap for the monoclinic and an indirect band-gap for the trigonal crystal structures. These findings, coupled with predicted Seebeck coefficient values, encourages actual synthesis of such materials. DFT calculations were also used to study (Zr, Mg)N and (Hf, Mg)N alloys based on the SQS model. The transition temperature between the ordered monoclinic structure of ZrMgN2 and HfMgN2 and the disordered (Zr, Mg)N and (Hf, Mg)N alloys is calculated to be approximately 800 K and 1050 K respectively. Density of State (DoS) calculations show that similar to (Ti, Mg)N, (Zr, Mg)N and (Hf, Mg)N are also semiconducting. The thermoelectric properties of both compounds are also predicted, and that in the range of a moderate change in the Fermi level, high Seebeck coefficient values at room temperature can be achieved. Finally, in order to complete the mentioned study on hypothetical ternaries, I deposited (Ti, Mg)N thin film alloys by reactive magnetron sputtering. These films, which were deposited at 400 °C, are porous and are crystallized in the rocksalt cubic structure. As-deposited films show an electrical resistivity of 150 m?cm and a Seebeck coefficient of -25 ?V/K, which shows semiconducting properties. In order to initiate a phase transformation, these films when annealed at approximately 800 °C, where nano-inclusions of a titanium/magnesium oxynitride are formed in a LiTiO2-type superstructure are identified by XRD and TEM analysis.

Author: Saim Memon
Publisher: BoD – Books on Demand
ISBN: 1789845289
Category : Science
Languages : en
Pages : 142

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Book Description
Advanced Thermoelectric Materials for Energy Harvesting Applications is a research-intensive textbook covering the fundamentals of thermoelectricity and the process of converting heat energy into electrical energy. It covers the design, implementation, and performance of existing and advanced thermoelectric materials. Chapters examine such topics as organic/inorganic thermoelectric materials, performance and behaviors of thermoelectric devices, and energy harvesting applications of thermoelectric devices.

Author: Victor E. Borisenko
Publisher: Springer Science & Business Media
ISBN: 3642596495
Category : Technology & Engineering
Languages : en
Pages : 362

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Book Description
A comprehensive presentation and analysis of properties and methods of formation of semiconducting silicides. Fundamental electronic, optical and transport properties of the silicides collected from recent publications will help readers choose their application in new generations of solid-state devices. A comprehensive presentation of thermodynamic and kinetic data is given in combination with their technical application, as is information on corresponding thin-film or bulk crystal formation techniques.

Author: Jaime Andres Perez Taborda
Publisher: BoD – Books on Demand
ISBN: 1789848709
Category : Technology & Engineering
Languages : en
Pages : 288

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Book Description
The field of coatings and thin-film technologies is rapidly advancing to keep up with new uses for semiconductor, optical, tribological, thermoelectric, solar, security, and smart sensing applications, among others. In this sense, thin-film coatings and structures are increasingly sophisticated with more specific properties, new geometries, large areas, the use of heterogeneous materials and flexible and rigid coating substrates to produce thin-film structures with improved performance and properties in response to new challenges that the industry presents. This book aims to provide the reader with a complete overview of the current state of applications and developments in thin-film technology, discussing applications, health and safety in thin films, and presenting reviews and experimental results of recognized experts in the area of coatings and thin-film technologies.

Author: D.M. Rowe
Publisher: CRC Press
ISBN: 0429956673
Category : Technology & Engineering
Languages : en
Pages : 720

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Book Description
Thermoelectrics is the science and technology associated with thermoelectric converters, that is, the generation of electrical power by the Seebeck effect and refrigeration by the Peltier effect. Thermoelectric generators are being used in increasing numbers to provide electrical power in medical, military, and deep space applications where combinations of their desirable properties outweigh their relatively high cost and low generating efficiency. In recent years there also has been an increase in the requirement for thermoelectric coolers (Peltier devices) for use in infrared detectors and in optical communications. Information on thermoelectrics is not readily available as it is widely scattered throughout the literature. The Handbook centralizes this information in a convenient format under a single cover. Sixty of the world's foremost authorities on thermoelectrics have contributed to this Handbook. It is comprised of fifty-five chapters, a number of which contain previously unpublished material. The contents are arranged in eight sections: general principles and theoretical considerations, material preparation, measurement of thermoelectric properties, thermoelectric materials, thermoelectric generation, generator applications, thermoelectric refrigeration, and applications of thermoelectric cooling. The CRC Handbook of Thermoelectrics has a broad-based scope. It will interest researchers, technologists, and manufacturers, as well as students and the well-informed, non-specialist reader.

Author: Michael C. Gao
Publisher: Springer
ISBN: 3319270133
Category : Technology & Engineering
Languages : en
Pages : 524

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Book Description
This book provides a systematic and comprehensive description of high-entropy alloys (HEAs). The authors summarize key properties of HEAs from the perspective of both fundamental understanding and applications, which are supported by in-depth analyses. The book also contains computational modeling in tackling HEAs, which help elucidate the formation mechanisms and properties of HEAs from various length and time scales.

Author: Michel W. Barsoum
Publisher: John Wiley & Sons
ISBN: 3527654607
Category : Technology & Engineering
Languages : en
Pages : 436

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Book Description
In this comprehensive yet compact monograph, Michel W. Barsoum, one of the pioneers in the field and the leading figure in MAX phase research, summarizes and explains, from both an experimental and a theoretical viewpoint, all the features that are necessary to understand and apply these new materials. The book covers elastic, electrical, thermal, chemical and mechanical properties in different temperature regimes. By bringing together, in a unifi ed, self-contained manner, all the information on MAX phases hitherto only found scattered in the journal literature, this one-stop resource offers researchers and developers alike an insight into these fascinating materials.

Author: Mohammad Mansoob Khan
Publisher: Elsevier
ISBN: 0128209178
Category : Technology & Engineering
Languages : en
Pages : 378

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Book Description
Chalcogenide-Based Nanomaterials as Photocatalysts deals with the different types of chalcogenide-based photocatalytic reactions, covering the fundamental concepts of photocatalytic reactions involving chalcogenides for a range of energy and environmental applications. Sections focus on nanostructure control, synthesis methods, activity enhancement strategies, environmental applications, and perspectives of chalcogenide-based nanomaterials. The book offers guidelines for designing new chalcogenide-based nanoscale photocatalysts at low cost and high efficiency for efficient utilization of solar energy in the areas of energy production and environment remediation. - Provides information on the development of novel chalcogenide-based nanomaterials - Outlines the fundamentals of chalcogenides-based photocatalysis - Includes techniques for heterogeneous catalysis based on chalcogenide-based nanomaterials

Author: R. Ciach
Publisher: Springer Science & Business Media
ISBN: 9780792352228
Category : Technology & Engineering
Languages : en
Pages : 538

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Book Description
An expert exposition of the structural and mechanical properties of light alloys and composites, bridging the gap between scientists and industrial engineers in its consideration of advanced light materials, their structure, properties, technology and application. Includes basic problems of alloy constitution and phase transformations. The aluminium alloys are the main topic of the book, consideration being given to their properties, casting technology, thermomechanical treatment and structure. Attention is also given to the magnesium alloys, particularly those having rare earth metal constituents. Both commercial titanium alloys and intermetallic compounds are discussed, as are metallic composites. The latest engineering techniques are discussed in both theoretical and practical terms.