[PDF] Top 20 First Principles Calculations of the Structural, Mechanical and Thermodynamics Properties of Cubic Zirconia
Has 10000 "First Principles Calculations of the Structural, Mechanical and Thermodynamics Properties of Cubic Zirconia" found on our website. Below are the top 20 most common "First Principles Calculations of the Structural, Mechanical and Thermodynamics Properties of Cubic Zirconia".
First Principles Calculations of the Structural, Mechanical and Thermodynamics Properties of Cubic Zirconia
... in Figure 1. The geometric structure has influence on the properties of the material even at nanoscale [2]. After optimization, all the lattice parameters were recorded and compared with values obtained from other ... See full document
8
First-Principles Calculations of Structural, Mechanical, and Electronic Properties of the B2-Phase NiTi Shape-Memory Alloy Under High Pressure
... and mechanical properties of the equiatomic NiTi ...the structural, mechanical, and electronic properties of the B2-phase NiTi SMAs due to lack of in-depth researches, thereby ... See full document
14
Theoretical Investigation of Structural, Electronic, and Mechanical Properties of Two Dimensional C, Si, Ge, Sn
... the structural stability and the electronic and mechanical properties of 2D nanos- tructures using DFT based First Principles ...The structural analysis reveals that the sp 2 ... See full document
13
Structural, elastic, mechanical and thermodynamic properties of Terbium oxide: First-principles investigations
... based first-principles methods are intensively used to investigate the fundamental properties of the solid materi- als ...our calculations, the total energy calculations, to determine ... See full document
6
Effect of 3 mol% Yttria Stabilized Zirconia Addition on Structural and Mechanical Properties of Alumina Zirconia Composites
... low mechanical resistance and fracture toughness [1]. Alumina-Zirconia composites have been widely studied over last two decades [2] [3] [4] ...the mechanical proper- ties of alumina ceramics can be ... See full document
19
Point Defects in Strontium and Barium Titanate from First Principles: Properties and Thermodynamics.
... Defect calculations and bulk electronic structure calculations were performed with 2 × 2 × 2 and 6 × 6 × 6 Monkhorst-Pack reciprocal space meshes, ...All calculations were performed with an exact ... See full document
114
Structural and Thermodynamic Properties of Perovskite Type Superconductor ZnNNi3 by First Principles Calculations
... isostructural cubic antiper- ovskites for their many puzzling physical properties and important technical ...design principles, synthesis and investigations of related antiper- ovskite-type ...many ... See full document
5
Vibrational Contribution to the Thermodynamic Properties of Lithium Ion Batteries System: A First Principles Calculations
... sciences, first principles calculation is of most important because of its powerful functionalities in predicting materials structural [5-6], electronic [7, 8], magnetic [9, 10] and other ... See full document
8
Ceramic Dental Implants: A Literature Review
... Implants are traceable to ancient Egyptian and south American civilization around 1000AD [10]. Where carved seashells and/or stones were placed into human jaw bone to replace missing teeth [11]. With the 18th century ... See full document
5
First principles calculations of properties of orthorhombic iron carbide Fe7C3 at the Earth's core conditions
... All calculations were performed using the supercomputer resources of the Swedish National Infrastructure for Computing (SNIC) National Su- percomputing Center ... See full document
7
First-principles calculations on electronic properties of LaNiO3 in solid oxide fuel cell cathodes
... All calculations are performed based on the density functional theory [7] using plane-wave basis sets [8] as implemented in the Quantum Espresso package ... See full document
5
Mechanical Properties of Zirconia-Titanium Composites
... FGMs. In the FGMs, titanium oxide also formed in Ti phase according to examination on micro-Vickers and nanoindentation analysis data, which can largely influence thermo-mechanical behavior of the FGMs. A ... See full document
8
Evaluation of Effect of Polypropylene on the Mechanical Properties of Concrete
... of first crack in the PPFRC member, fibers begin their action. The PP, first, starts bridging these cracks, and, then, do not allow further opening by restraining ...a structural member is improved ... See full document
9
First-principles calculations of antimony sulphide Sb2S3
... displays the changes of refractive index with photon energy. As shown in Fig. 5 (b), the calculated n(0) in x, y, z-direction are found to be 3.054, 3.638 and 3.566 respectively. The average value of n(0) was found to be ... See full document
5
Accurate measurements and establishment of a model of the mechanical properties of dried corn kernels
... Woźniak, Niewczas and Kudra (1999) showed that the correlations between the drying conditions and mechani- cal properties of wheat grain were significant, however, the effect of the initial moisture content on the ... See full document
9
First Principles Investigations on Structural, Elastic, Electronic, and Optical Properties of Li2CdGeS4
... detailed calculations are depicted as follows: fi rstly, for a given b the axial ratio c / a is fi xed and a series of different lattice parameters a and c are taken to calculate the total energies ... See full document
6
Study of Mechanical Properties of Concrete with Nano Zirconia
... and mechanical properties of high performance ...on structural engineering and construction published by elsevier Ltd, in 14(2011) 3036-3041 ... See full document
5
First Principles Study of the Structural and Electronic Properties of the ZnO/Cu2O Heterojunction
... oxygen, respectively. Exchange-correlation energy and potential have been taken into account at the local density approximation (LDA) level by mean of the Perdew-Wang [55] parameterization of the quantum Ceperley and ... See full document
15
Structural and Properties of LiNi0.5Mn1.5O4-δ and LiNi0.5Mn1.5O4 Spinels: A first-Principles Investigation
... sites are located by Li ions, 12d sites and 4a sites are occupied by Mn ions and Ni ions respectively, and distributed in 8c and 24e sites are O ions, which consisting of a primitive, or simple, cubic array. It is ... See full document
8
Electronic and Structural Properties of Li3AlP2 and Li3AlAs2 from First Principles
... In our Literature survey, we did not find any theoreti- cal works on calculating the lattice parameters and inter- nal parameters for these compounds and nor any theo- retical work on electronic and structural ... See full document
5
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