Effect of Additives on the Phase Equilibria Related to the E21-Fe3AlC Intermetalic Compound with Carbon Atom at the Interstitial Site

2002 ◽  
Vol 753 ◽  
Author(s):  
Hiroaki Ishii ◽  
Seiji Miura ◽  
Tetsuo Mohri
Keyword(s):  
Lattice Constant ◽  
Lattice Misfit ◽  
Interstitial Site ◽  
Lattice Parameter ◽  
The Body ◽  
Study Phase ◽  
Two Phase ◽  
Octahedral Interstitial Site ◽  
The Stability ◽  
Alloys And Compounds

ABSTRACTThe structure of E21 is a derivative of L12 structure with an interstitial carbon in the body center or the octahedral interstitial site. In the Fe-Al-C ternary system E21-Fe3AlC intermetallic is known to precipitate in γ-austenite alloys. For the high temperature application, the stability of microstructure is a key issue and the control of the lattice misfit is essential. By adding some elements to Fe-Al-C alloys, the lattice constant can be controlled, and enhancement of the stability of γ-austenite + E21-Fe3AlC two phase structure is expected. In this study, phase stability and lattice parameter of E21 phase in the (Fe-Mn)-(Al-M)-C system (M=Si, Ge) are investigated. In both systems, no significant changes in microstructures were observed within the composition range of concern. The lattice constant of E21-Fe3AlC phase, however, does not show decrease with the addition of Si or Ge. This result is different from what was expected. By WDS analysis, it was revealed that Si tends to distribute mainly in γ phase, and Ge concentrates in E21-Fe3AlC phase. It was found that the lattice constants of E21 phases are very close to those of L12 structure estimated from the atomic radii of constituent elements which are evaluated from those in binary alloys and compounds. The distribution behavior of Si and Ge can be related to tolerance factor which strongly affects the stability of phases.

Electron Diffraction Study on the Crystal Structure of a Ternary Intermetallic Compound Co3AICx

1998 ◽  
Vol 552 ◽  
Author(s):  
Yoshinao Mishima ◽  
Keurn-Yeon Hwang ◽  
Fu-Gao Wei
Keyword(s):  
Crystal Structure ◽  
Intermetallic Compound ◽  
Electron Diffraction ◽  
Orientation Relationship ◽  
Electron Diffraction Study ◽  
Lattice Misfit ◽  
Lattice Parameter ◽  
The Body ◽  
Two Phase ◽  
Ternary Intermetallic Compound

ABSTRACTIntermetallic compound Co3A1Cx, or called ic-phase, has been reported to assume the E21, or Perovskite structure. In the present work its crystal structure is critically reinvestigated in the two-phase alloys containing κ-phase in the Co primary solid solution matrix, α(Co), using conventional electron diffraction. It is shown that the crystal structure of κ-phase is a derivative of E21 being a cubic structure composed of eight E21 sub-unit cells in a half of which the body center sites are not occupied by carbon atoms. As a result, its space group is Fm3m and the chemical formula should be Co3AIC0.5. It is also found that the lattice parameter of the phase is about twice as large as that of α(Co). Orientation relationship of the κ-phase with the matrix α(Co) is found to be similar to the case for the γ' phase with the fcc γmatrix in a Ni-base superalloy since three orthogonal axes of κ-phase are parallel to those of α(Co). Lattice misfit under this orientation relationship between the two phases is found to be about 2.5%.

scholarly journals Influence of Nickel Addition on the Stability, Trapping, and Diffusion Behaviour of Hydrogen in Vanadium: A First-Principles Investigation

2021 ◽  
Author(s):  
Jiayao Qin ◽  
Zhigao Liu ◽  
Wei Zhao ◽  
Dianhui Wang ◽  
Yanli Zhang ◽  
...  
Keyword(s):  
First Principles ◽  
Effective Means ◽  
Interstitial Site ◽  
First Principles Calculation ◽  
Hydrogen Energy ◽  
Ni Doping ◽  
Octahedral Interstitial Site ◽  
The Stability ◽  
And Diffusion ◽  
Diffusion Behaviour

Abstract Hydrogen embrittlement causes deterioration of materials used in hydrogen energy systems. Alloying is an effective means for overcoming this issue. In this study, the first-principles calculation method was used to investigate the effects of alloying Ni on the stability, dissolution, trapping, and diffusion behaviour of interstitial/vacancy H atoms in V. The calculated phonon spectra and solution energies of the vacancy/interstitial H atoms revealed that the V–Ni phase was dynamically and thermodynamically stable, and Ni addition could reduce the stability of V hydrides and improve their resistance to H embrittlement. H atoms in the interstitials and vacancies preferentially occupied the tetrahedral interstitial site (TIS) and octahedral interstitial site (OIS) with the lowest solution energies and diffused along the TIS → TIS and OIS → OIS paths with the minimum diffusion barrier energies. The trapping energy of the vacancy H atoms indicated that the addition of Ni could reduce the H trapping capability of the vacancies and suppress the retention of H in V. Detailed analysis of the calculated H diffusion barriers indicated that the presence of monovacancy defects blocked the diffusion of H atoms more than the presence of interstitials, and Ni doping did not enhance the H diffusion coefficient.

Computer Simulation of Point Defects in Hexagonal Close Packed Metals

1988 ◽  
Vol 141 ◽  
Author(s):  
Eduardo J. Savino ◽  
Ana M. Monti
Keyword(s):  
Harmonic Approximation ◽  
Site Occupancy ◽  
Lattice Relaxation ◽  
Pair Interaction ◽  
Interstitial Site ◽  
Lattice Parameter ◽  
Rigid Sphere ◽  
Perfect Lattice ◽  
Spline Fitting ◽  
The Stability

AbstractPair interaction potentials have been developed by spline fitting cubic functions to reproduce perfect lattice properties. The lattice symmetry is taken as hcp with the rigid sphere c/a ratio and a cut-off distance between second and third neighbor is assumed. The lattice parameter, elastic constants and vacancy formation energy of Mg, Ti and Zr are consistently fitted by the potentials. We have calculated the lattice relaxation predicted by these potentials for the vacancy, and self interstitial in an otherwise perfect hcp lattice. The stability and dynamics of those defects are studied within the quasi-harmonic approximation. The interstitial site occupancy in hcp lattice and the vacancy and interstitial diffusion are discussed.

scholarly journals Hydrogen Transportation Behaviour of V–Ni Solid Solution: A First-Principles Investigation

Materials ◽  
2021 ◽  
Vol 14 (10) ◽  
pp. 2603
Author(s):  
Jiayao Qin ◽  
Zhigao Liu ◽  
Wei Zhao ◽  
Dianhui Wang ◽  
Yanli Zhang ◽  
...  
Keyword(s):  
First Principles ◽  
Interstitial Site ◽  
Ni Doping ◽  
Octahedral Interstitial Site ◽  
Ni Addition ◽  
Solution Energy ◽  
Tetrahedral Interstitial Site ◽  
Materials Used ◽  
The Stability ◽  
Hydrogen Systems

Hydrogen embrittlement causes deterioration of materials used in metal–hydrogen systems. Alloying is a good option for overcoming this issue. In the present work, first-principles calculations were performed to systematically study the effects of adding Ni on the stability, dissolution, trapping, and diffusion behaviour of interstitial/vacancy H atoms of pure V. The results of lattice dynamics and solution energy analyses showed that the V–Ni solid solutions are dynamically and thermodynamically stable, and adding Ni to pure V can reduce the structural stability of various VHx phases and enhance their resistance to H embrittlement. H atoms preferentially occupy the characteristic tetrahedral interstitial site (TIS) and the octahedral interstitial site (OIS), which are composed by different metal atoms, and rapidly diffuse along both the energetically favourable TIS → TIS and OIS → OIS paths. The trapping energy of monovacancy H atoms revealed that Ni addition could help minimise the H trapping ability of the vacancies and suppress the retention of H in V. Monovacancy defects block the diffusion of H atoms more than the interstitials, as determined from the calculated H-diffusion barrier energy data, whereas Ni doping contributes negligibly toward improving the H-diffusion coefficient.

Epitaxial Growth in Dislocation-Free Strained Alloy Films

2002 ◽  
Vol 715 ◽  
Author(s):  
Zhi-Feng Huang ◽  
Rashmi C. Desai
Keyword(s):  
Deposition Rate ◽  
Elastic Moduli ◽  
Composition Dependence ◽  
Critical Thickness ◽  
Lattice Misfit ◽  
Misfit Strain ◽  
Joint Stability ◽  
Alloy Films ◽  
The Stability ◽  
Stability Results

AbstractThe morphological and compositional instabilities in the heteroepitaxial strained alloy films have attracted intense interest from both experimentalists and theorists. To understand the mechanisms and properties for the generation of instabilities, we have developed a nonequilibrium, continuum model for the dislocation-free and coherent film systems. The early evolution processes of surface pro.les for both growing and postdeposition (non-growing) thin alloy films are studied through a linear stability analysis. We consider the coupling between top surface of the film and the underlying bulk, as well as the combination and interplay of different elastic effects. These e.ects are caused by filmsubstrate lattice misfit, composition dependence of film lattice constant (compositional stress), and composition dependence of both Young's and shear elastic moduli. The interplay of these factors as well as the growth temperature and deposition rate leads to rich and complicated stability results. For both the growing.lm and non-growing alloy free surface, we determine the stability conditions and diagrams for the system. These show the joint stability or instability for film morphology and compositional pro.les, as well as the asymmetry between tensile and compressive layers. The kinetic critical thickness for the onset of instability during.lm growth is also calculated, and its scaling behavior with respect to misfit strain and deposition rate determined. Our results have implications for real alloy growth systems such as SiGe and InGaAs, which agree with qualitative trends seen in recent experimental observations.

Effect of the structural changes on the mechanical properties of the sintered films

2016 ◽  
Vol 12 (1) ◽  
pp. 4141-4144
Author(s):  
Garima Jain
Keyword(s):  
Crystallite Size ◽  
Lattice Constant ◽  
Structural Changes ◽  
Structural Investigation ◽  
Energy Gap ◽  
Lattice Parameter ◽  
Metal Chalcogenides ◽  
Optical Energy Gap ◽  
Tin Telluride ◽  
Physical Quantities

Polycrystalline films of tin telluride were prepared by sintering technique. The structural investigation of the films with different thicknesses enables to determine lattice parameter, crystallite size and strain existing in the films. The XRD traces showed that strain was tensile in nature. The crystallite size increases with thickness while strain decreases. Higher the value of tensile strain, larger is the lattice constant. The optical energy gap shows a descending nature with increasing strain and so with the lattice constant. Such an attempt made to delve into interdependence of basic physical quantities helps to explore the properties of SnTe and utilize it as an alternative to heavy metal chalcogenides in various technological applications.  

THE CHARACTERISTICS OF ARTIFICIAL RICE WITH SEAWEED Eucheuma cottonii ADDITION AS A DIETARY FIBER SOURCE

2014 ◽  
Vol 6 (1) ◽  
Author(s):  
Natalia Prodiana Setiawati ◽  
Joko Santoso ◽  
Sri Purwaningsih
Keyword(s):  
Blood Glucose ◽  
Dietary Fiber ◽  
Dietary Fibre ◽  
Extrusion Process ◽  
The Body ◽  
Starch Digestibility ◽  
Food Commodities ◽  
The Stability ◽  
Extrusion Technology ◽  
Eucheuma Cottonii

The utilization of local food commodities such as corn and cassava with seaweed addition as a dietary fiber source for producing artificial rice through extrusion technology is an  alternative for food diversification. The research was carried out to find out the best composition (rice, corn, cassava, and seaweed) and temperature of extrusion process on making artificial rice and the influence of dietary fibre on sensory properties and physicochemical. The composition of rice, corn, and cassava in proportion  of 1:3:1 with 20% seaweed, Eucheuma cottonii, addition and temperature extruder of 90 °C were selected as the best product for artificial rice. The  sensory evaluation was 8.02±0.21 (people’s preference). In physicochemical properties, dietary fiber significantly affected on low bulk density and starch digestibility. This condition is very good for health especially in maintaining the stability of blood glucose in the body. Keywords: artificial rice, composition, extrusion, seaweed, dietary fibre, temperature

Substantiation the machine with a basket for the application of mineral fertilizers and other bulk materials with the upper arrangement of the feeding device

2019 ◽  
pp. 37-43
Author(s):  
Fesenko, H.
Keyword(s):  
Fat Body ◽  
Mineral Fertilizer ◽  
The Body ◽  
Mineral Fertilizers ◽  
Analytical Mechanics ◽  
Bulk Materials ◽  
The Stability ◽  
Working Bodies ◽  
The Relationship ◽  
Stable Flow

Purpose. Increasing the uniformity of distribution of mineral fertilizers and other bulk materials due to the stability of their feed from the body to the spreading working bodies using the top feeder. Methods. The following methods are used to achieve this aim: the method of comparing the differences between individual groups of fertilizers, the method of analyzing the properties of a new technical system, the method of functional inventiveness, and the methods of theoretical and analytical mechanics. Results. The traction body of the conveyor of the upper feed of the body fat body machine for mineral fertilizers and other bulk materials was substantiated and the relationship between the height of its scrapers and the distance between them was established, as well as the nature of the mineral fertilizer pressure on the curvilinear wall of the body. In addition, the design of the advanced body fertilizer spreader is justified, which ensures a stable flow of fertilizers from the body due to the improvement of the top feeder. Conclusions. Because of the conducted researches, the advantages of machines equipped with top feeder are found. They create the conditions for the forced feeding mineral fertilizers and other loose materials from the container to the distribution bodies, which is a prerequisite for their evenness on the surface. With this, the imperfection of known machines with the top feeder constrains their introduction into agricultural production. On this account, a more thoroughly constructed solution of the body feeder of the top feed is substantiated, in which the conveyor provides a stable supply of fertilizers from the body with reduced energy consumption during operation. Keywords: analysis, feed, upper device, conveyor, stability, fertilizers, flow ability, body.

The influence of the Stokes and Archimedes forces on the stability of a two-phase flow

2003 ◽  
Vol 3 ◽  
pp. 266-270
Author(s):  
B.H. Khudjuyerov ◽  
I.A. Chuliev
Keyword(s):  
Spectral Method ◽  
Stability Region ◽  
Gas Flow ◽  
Two Phase Flow ◽  
Solid Phase ◽  
Stability Characteristic ◽  
Phase Flow ◽  
Two Phase ◽  
The Stability

The problem of the stability of a two-phase flow is considered. The solution of the stability equations is performed by the spectral method using polynomials of Chebyshev. A decrease in the stability region gas flow with the addition of particles of the solid phase. The analysis influence on the stability characteristic of Stokes and Archimedes forces.

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