Search
Now showing items 11-20 of 24
Effect of Processing Parameters on Ti3Al-based Alloy High-Temperature Cyclic Oxidation Kinetics
(Journal of Innovative Materials in Extreme Conditions, 2021)
Efficient exploitation of the industrial components at elevated temperatures and in aggressive environments is demanded in modern industrial production. The Ti3Al-based alloys are proposed as materials ...
Thin Films and Monolayers – Prediction, Modeling, and Experiments
(Journal of Innovative Materials in Extreme Conditions, 2023)
The development of new materials in an efficient fashion requires progress both in the computational search for promising targets and in the design of suitable synthesis routes by a combined effort of theory and experiment. ...
Crystal Structure and Properties of Theoretically Predicted AlB12
(Journal of Innovative Materials in Extreme Conditions, 2020)
Aluminum borides have various industrial applications, used in fuels, explosives, abrasives, and as additives to consolidated materials based on boron carbide. The structure of AlB12 is similar to that of boron carbide, ...
Effects of Laser Radiation at 10 13 W/cm2 Intensity on Ferritic ODS Steel With and Without Hf in Helium and Vacuum
(Journal of Innovative Materials in Extreme Conditions, 2023)
Ferritic 16Cr3Al ODS steel, with and without the addition of hafnium, was exposed to high-intensity laser radiation of the order of 1013 W/cm2. Irradiation was conducted in the environments of helium and vacuum and the ...
Structural, Electronic and Mechanical Properties of Superhard B4C from First Principles
(Journal of Innovative Materials in Extreme Conditions, 2020)
Boron carbide (B4C) has attracted great attention as a semiconducting material with excellent properties and has found various technological applications. High hardness value makes it a potentially superhard material as ...
Ab Initio Investigations and Behaviour of the α-Ce2ON2 Phase in the Extreme Pressure Conditions
(Journal of Innovative Materials in Extreme Conditions, 2021)
Recently predicted α-phase in the Ce2ON2 compound has been further investigated using ab initio methods. The structural properties of the α-Ce2ON2 have been investigated and compared with the related AlCo2Pr2 structure. ...
A Review of the Synthesis of Compositionally Complex Ultra-High-Temperature Ceramics
(Journal of Innovative Materials in Extreme Conditions, 2023)
Ultra-high temperature ceramics (UHTC) are a class of ceramics that possess melting points greater than 3000 °C and can withstand temperatures higher than 2000 °C without structural failure. The need to increase the ...
DFT Study of Crystalline TiO2 Phase Transitions Applicable in Extreme Environments
(Journal of Innovative Materials in Extreme Conditions, 2023)
Crystalline TiO2 has many practical applications as a photocatalytic material. The structures and relative energies of eleven different modifications of bulk structures with TiO2 composition were theoretically investigated ...
Theoretical modifications of scandium oxychloride in extreme conditions as an example of rare earth compounds
(Journal of Innovative Materials in Extreme Conditions, 2022)
Theoretical modifications of ScOCl at extreme thermodynamic conditions have been identified and are studied as an example of rare earth element (RRE) compounds. Global optimizations with empirical potentials and local ...
DFT study of the Cr2SiN4 under extreme pressure conditions
(Journal of Innovative Materials in Extreme Conditions, 2022)
Recently predicted Cr2SiN4 phases have been further investigated using ab initio methods to explore their behavior under extreme conditions of pressure. Thermodynamic functions for several different modifications have been ...