This work aims to study the structural, energetic and thermal properties of intermetallic compounds that precipitate in the Cu-Cr-Zr system, by an abinitio method called pseudopotential computation, as well as the quasi-harmonic model of Debye. The pseudopotential method is implemented in the Quantum Espresso code (QE) developed by S. Baroni et al [1] for the study of the physical properties of materials.
We are interested in the following compounds C15b -Cu5Zr, C11b-CuZr2, L12 -CuZr3, DO3 -CuZr3, C14-Cr2Zr, C15-Cr2 Zr and B2-CuZr.
Before undertaking the study of the different alloys, we studied the structural properties of the different structures of Cu, Cr and Zr simple metals. to start the calculation from a correct structure. Indeed, for each metal, the results found compared to those given by the literature showed a good agreement.
For each of the compounds, a minimization of the total energy with respect to the volume of the mesh was conducted. to predict the structural parameters of each compound. The results showed a good agreement with the experimental results, as well as those resulting from the theoretical studies. For the compression module, the Cu5Zr is the most rigid at 0 K in the
Cu- Zr system, while CuZr3 is the least rigid. In addition, the rigidity of the latter is independent of the type of its structure. For the Cr2Zr compound, the compression modulus in phase C 15 is more rigid than that in phase C14.
In terms of stability, the two phases L12 -Cu Zr3 and DO3 -CuZr3 are not favorable. Unlike other remaining compounds. CuZr2 in the C11b structure is the most stable, followed by Cu5 Zr then CuZr in the two structures C15b and B2 respectively. While the two C14 (β) and C15 (α) phases of the compound Cr2 Zr are stable and can coexist at low temperatures.
The quasi-harmonic model of Debye allowed us to study the evolution of the structural parameters of each of the compounds studied as a function of temperature. The volume of these phases increases linearly with increasing temperature, while the compression modulus decreases. This decrease is greater in the case of the Cu5 Zr compound. At low temperatures, this compound is the most rigid, but from 1100 K, CuZr becomes the most rigid. For volume expansion, the Cu5Zr shows a variation parabolic depending on the temperature, while the remaining compounds the increase is linear. The specific heats of the different compounds obey the law of Debye at low temperatures (Variation in T3) depending on the temperature; this parameter tends towards a classic term called Dulong and Petit.
Ing. Jaroslav ÄŒapek, Ph.D is an expert focusing on physical metallurgy and design of metallic materials. His main interest lies in experimental and theoretical investigation of relationships between chemical composition, processing route, microstructure and mechanical properties of metallic materials. Recently, he deals with the design of metallic biodegradable materials for medicine
Zinc based biodegradable materials were introduced in 2011 and since that time a large number of studies dealing with this topic has been published. Compared to the other candidates for metallic biodegradable implants, namely Mg- and Fe-based materials, Zn-based materials possess the most suitable corrosion behavior. On the other hand, pure as-cast zinc is fragile and does not reach sufficient strength for applications for implantology. Fortunately, suitable alloying and thermomechanical treatment allow us to enhance mechanical performance of zinc alloys to fulfill the basic requirements of medical industry.
In my presentation, I will sum up the current status of Zn-based biodegradable materials and methods allowing preparation of Zn-based materials for implantology. Moreover, some of our results will be shown. Particularly, Influence of alloying, extrusion or equal channel angular pressing on microstructure, mechanical and corrosion behavior, as well as on in-vitro and in-vivo biocompatibility will be discussed.
Dr. Kishor Palle Ph.D., Working as an Associate Professor of Chemistry in the Department of Science & Humanities (S&H), Lords Institute of Engineering & Technology (LIET(A)), Himayat Sagar, Hyderabad. He has 15 years of experience in teaching. He received his Ph.D in the area of research in Catalysis & Green Chemistry from Jawaharlal Nehru Technological University, Anantapur. He has published 15 research and technical papers in National/International journals as well as conferences
Effective utilization of useful components present in agricultural bio-waste material for CO2 adsorption is very important. Activated carbons prepared from agricultural bio wastes are very pure with tailor made textural properties which suits for adsorption reactions. Rice husks are subjected to calcination at different temperatures under different atmospheres. Activated carbons and silica will be prepared by different chemical treatment which will be used as supports for carbon dioxide adsorption from environment.The existing Carbon dioxide adsorption methods are environmental unfriendly procedures hence forth researchers are in search for new materials and technologies., that are both ecologically safe, inexpensive and able to fulfill its role with little pre-processing is growing.
New adsorbents prepared from rice husk as low-cost activated carbon using chemical activating reagents, to find out the surface changes occurring in rice husk during activation with phosphoric acid and ammonium hydrogen phosphate. Amine impregnations were carried out on RHPAC and RHAAC activated carbons by using tetra ethylene penta amine (TEPA) for CO2 adsorption studies. Effect of temperature on adsorption of CO2 was carried out on all modified activated carbons