scholarly journals First-Principles Calculations of Y-Si-O Nanoclusters and Effect of Si on Microstructure and Mechanical Properties of 12Cr ODS Steel in Vacuum Sintering System

Metals ◽  
2022 ◽  
Vol 12 (1) ◽  
pp. 155
Author(s):  
Feng Su ◽  
Guangtao Xu ◽  
Zhenhua Yao ◽  
Huachen Liu ◽  
Yikun Chen
Keyword(s):  
Mechanical Properties ◽  
First Principles ◽  
Density Functional ◽  
Sintering Temperature ◽  
Oxide Dispersion Strengthened ◽  
Binding Energies ◽  
Primary Role ◽  
Vacuum Sintering ◽  
Ods Steel ◽  
Ods Steels

High density of thermally stable Y-Si-O nanoparticles dispersed in the Fe matrix play a primary role in oxide dispersion strengthened (ODS) steel. In this study, the binding energies of solutes Y, O and Si with vacancies have been calculated in the framework of first-principles density functional theory. According to the calculations, any two solutes of Y, O and Si bound with each other strongly in the second nearest neighboring (NN) sites while not in 1NN. A vacancy (v) bounds strongly with Y and O in 1NN site. The binding sequence of solutes with v followed O-v → Y-v → Si-v, and the affinity of Y, Si and v with O followed O-Y → O-v → O-Si. The nucleation mechanism of Y-O-Si nanoclusters was determined, which gave the feasibility of adding Si to ODS steels. The core (consisting of Si and O)-shell (enriched Fe and Cr) structure of the microparticles was found in ODS steels containing Si, fabricated by mechanical alloying (MA) and vacuum sintering. Moreover the nanoparticles of monoclinic cubic Y2O3, Y2SiO5 and Y2Si2O7 with sizes of 5 ~ 12 nm were observed in ODS steel. Si reduced the sintering temperature by maximizing densities and mechanical properties at a lower sintering temperature. The steel with 3 wt% Si was sintered at 1280 °C, exhibiting the best comprehensive mechanical properties. The tensile strength, hardness and relative density were 1025 MPa, 442.44 HV and 95.3%, respectively.

scholarly journals Microstructure and Mechanical Properties of 14Cr-ODS Steels with Zr Addition

2019 ◽  
Vol 38 (2019) ◽  
pp. 404-410 ◽  
Author(s):  
Weijuan Li ◽  
Haijian Xu ◽  
Xiaochun Sha ◽  
Jingsong Meng ◽  
Zhaodong Wang
Keyword(s):  
Mechanical Properties ◽  
Hot Isostatic Pressing ◽  
Oxide Dispersion Strengthened ◽  
Nominal Composition ◽  
Ods Steel ◽  
Zr Addition ◽  
Microstructure And Mechanical Properties ◽  
The Matrix ◽  
Ods Steels ◽  
The Impact

AbstractIn this study, oxide dispersion strengthened (ODS) ferritic steels with nominal composition of Fe–14Cr–2W–0.35Y2O3 (14Cr non Zr-ODS) and Fe–14Cr–2W–0.3Zr–0.35Y2O3 (14Cr–Zr-ODS) were fabricated by mechanical alloying (MA) and hot isostatic pressing (HIP) technique to explore the impact of Zr addition on the microstructure and mechanical properties of 14Cr-ODS steels. Microstructure characterization revealed that Zr addition led to the formation of finer oxides, which was identified as Y4Zr3O12, with denser dispersion in the matrix. The ultimate tensile strength (UTS) of the non Zr-ODS steel is about 1201 MPa, but UTS of the Zr-ODS steel increases to1372 MPa, indicating the enhancement of mechanical properties by Zr addition.

scholarly journals Development of New 14 Cr ODS Steels by Using New Oxides Formers and B as an Inhibitor of the Grain Growth

Metals ◽  
2020 ◽  
Vol 10 (10) ◽  
pp. 1344
Author(s):  
Alberto Meza ◽  
Eric Macía ◽  
Andrea García-Junceda ◽  
Luis Antonio Díaz ◽  
Paul Chekhonin ◽  
...  
Keyword(s):  
Mechanical Properties ◽  
Grain Growth ◽  
Electron Backscatter Diffraction ◽  
Oxide Dispersion Strengthened ◽  
Complex Oxide ◽  
Tensile Tests ◽  
Processing Route ◽  
Prealloyed Powder ◽  
Ods Steel ◽  
Ods Steels

In this work, new oxide dispersion strengthened (ODS) ferritic steels have been produced by powder metallurgy using an alternative processing route and characterized afterwards by comparing them with a base ODS steel with Y2O3 and Ti additions. Different alloying elements like boron (B), which is known as an inhibitor of grain growth obtained by pinning grain boundaries, and complex oxide compounds (Y-Ti-Zr-O) have been introduced to the 14Cr prealloyed powder by using mechanical alloying (MA) and were further consolidated by spark employing plasma sintering (SPS). Techniques such as x-ray diffraction (XRD), electron backscatter diffraction (EBSD), and transmission electron microscopy (TEM) were used to study the obtained microstructures. Micro-tensile tests and microhardness measurements were carried out at room temperature to analyze the mechanical properties of the differently developed microstructures, which was considered to result in a better strength in the ODS steels containing the complex oxide Y-Ti-Zr-O. In addition, small punch (SP) tests were performed to evaluate the response of the material under high temperatures conditions, under which promising mechanical properties were attained by the materials containing Y-Ti-Zr-O (14Al-X-ODS and 14Al-X-ODS-B) in comparison with the other commercial steel, GETMAT. The differences in mechanical strength can be attributed to the precipitate’s density, nature, size, and to the density of dislocations in each ODS steel.

Phenomena Leading to a Modification of the Nano-Sized Structure during Resistance Upset Welding of ODS Steel Cladding

2012 ◽  
Vol 706-709 ◽  
pp. 977-982 ◽  
Author(s):  
Fabien Corpace ◽  
A. Monnier ◽  
A. Poulon Quintin ◽  
J P. Manaud
Keyword(s):  
Mechanical Properties ◽  
Welding Process ◽  
Oxide Dispersion Strengthened ◽  
Fusion Welding ◽  
Oxide Dispersion ◽  
Fuel Cladding ◽  
Ods Steel ◽  
The Matrix ◽  
Ods Steels ◽  
Two Stages

ODS steels (Oxide Dispersion Strengthened) are candidate materials for fuel cladding in Sodium Fast Reactors (SFR). These materials have good mechanical properties at high temperature due to a dispersion of nanometer-sized oxides into the matrix. Previous studies have shown that melting can induce a decrease of the mechanical properties at high temperatures due to modifications of the nanometer-sized oxide dispersion. Therefore the fusion welding techniques are not recommended and the solid state boundings has to be evaluated. This study is focused on resistance upset welding. Welding experiments and numerical simulations are coupled. The numerical simulation is developed in order to have a better understanding of the thermal and the mechanical phenomena occurring during the welding process. The simulation shows that the welding steps can be divided in two stages. First, the temperature of the contact between pieces increases. Second, the heat generation is mainly located in the cladding leading to the collapse and forging the pieces. The microstructural observations confirm that the major deformation is located in the cladding. Oxide dispersion modification and dynamical recrystallisation has been found for welds achieved with a non optimized process parameter set. The deformation and the temperature seem to be of prime importance in the modification of the oxide dispersion.

scholarly journals Effect of Small Variations in Zr Content on the Microstructure and Properties of Ferritic ODS Steels Consolidated by SPS

Metals ◽  
2020 ◽  
Vol 10 (3) ◽  
pp. 348 ◽  
Author(s):  
Andrea García-Junceda ◽  
Eric Macía ◽  
Dariusz Garbiec ◽  
Marta Serrano ◽  
José M. Torralba ◽  
...  
Keyword(s):  
Mechanical Properties ◽  
Oxide Dispersion Strengthened ◽  
Oxide Dispersion ◽  
Heating Rates ◽  
Ultrafine Grains ◽  
Ods Steel ◽  
Plasma Sintering ◽  
Final Microstructure ◽  
Spark Plasma ◽  
Ods Steels

Two different zirconium contents (0.45 and 0.60 wt.%) have been incorporated into a Fe-14Cr-5Al-3W-0.4Ti-0.25Y2O3 oxide dispersion-strengthened (ODS) steel in order to evaluate their effect on the final microstructure and mechanical properties. The powders with the targeted compositions were obtained by mechanical alloying (MA), and subsequently processed by spark plasma sintering (SPS) at two different heating rates: 100 and 400 °C·min−1. Non-textured bimodal microstructures composed of micrometric and ultrafine grains were obtained. The increase in Zr content led to a higher percentage of Zr nano-oxides and larger regions of ultrafine grains. These ultrafine grains also seem to be promoted by higher heating rates. The effective pinning of the dislocations by the Zr dispersoids, and the refining of the microstructure, have significantly increased the strength exhibited by the ODS steels during the small punch tests, even at high temperatures (500 °C).

First-Principles Analysis on Interaction between Dopant (Ga, Sb) and Contamination Metal Atoms in Ge Crystals

2013 ◽  
Vol 205-206 ◽  
pp. 417-421
Author(s):  
Tatsunori Yamato ◽  
Koji Sueoka ◽  
Takahiro Maeta
Keyword(s):  
First Principles ◽  
Density Functional ◽  
Density Functional Theory Calculations ◽  
Binding Energies ◽  
Functional Theory ◽  
Substitutional Site ◽  
Metal Impurities ◽  
Metal Atoms ◽  
Total Energies ◽  
Group 3

The lowest energetic configurations of metal impurities in 4throw (Sc - Zn), 5throw (Y - Cd) and 6throw (Hf - Hg) elements in Ge crystals were determined with density functional theory calculations. It was found that the substitutional site is the lowest energetic configuration for most of the calculated metals in Ge. The most stable configurations of dopant (Ga, Sb) - metal complexes in Ge crystals were also investigated. Following results were obtained. (1) For Ga dopant, 1st neighbor T-site is the most stable for metals in group 3 to 7 elements while substitutional site next to Ga atom is the most stable for metals in group 8 to 12 elements. (2) For Sb dopant, substitutional site next to Sb atom is the most stable for all calculated metals. Binding energies of the interstitial metalMiwith the substitutional dopantDswere obtained by the calculated total energies. The calculated results for Ge were compared with those for Si.

Effect of Alloying Elements V, Cr and Ni on the Electronic Structure and Mechanical Properties of FeAl from First-Principles Calculation

2014 ◽  
Vol 887-888 ◽  
pp. 378-383 ◽  
Author(s):  
Yu Chen ◽  
Zheng Jun Yao ◽  
Ping Ze Zhang ◽  
Dong Bo Wei ◽  
Xi Xi Luo ◽  
...  
Keyword(s):  
Mechanical Properties ◽  
Electronic Structure ◽  
Elastic Constants ◽  
First Principles ◽  
Density Functional ◽  
Valence Bond ◽  
Ternary Alloys ◽  
First Principles Calculation ◽  
Structure Stability ◽  
Alloying Element

The structure stability, mechanical properties and electronic structures of B2 phase FeAl intermetallic compounds and FeAl ternary alloys containing V, Cr or Ni were investigated using first-principles density functional theory calculations. Several models are established. The total energies, cohesive energies, lattice constants, elastic constants, density of states, and the charge densities of Fe8Al8 and Fe8XAl7 ( X=V, Cr, Ni ) are calculated. The stable crystal structures of alloy systems are determined due to the cohesive energy results. The calculated lattice contants of Fe-Al-X ( X= V, Cr, Ni) were found to be related to the atomic radii of the alloy elements. The calculation and analysis of the elastic constants showed that ductility of FeAl alloys was improved by the addition of V, Cr or Ni, the improvement was the highest when Cr was used. The order of the ductility was as follows: Fe8CrAl7 > Fe8NiAl7 > Fe8VAl7 > Fe8Al8. The results of electronic structure analysis showed that FeAl were brittle, mainly due to the orbital hybridization of the s, p and d state electron of Fe and the s and p state electrons of Al, showing typical characteristics of a valence bond. Micro-mechanism for improving ductility of FeAl is that d orbital electron of alloying element is maily involved in hybridization of FeAl, alloying element V, Cr and Ni decrease the directional property in bonding of FeAl.

Effects of Sintering Process on the Properties of Ti3SiC2/Cu Composite

2012 ◽  
Vol 512-515 ◽  
pp. 377-381 ◽  
Author(s):  
Jin Rong Lu ◽  
Yang Zhou ◽  
Yong Zheng ◽  
Shi Bo Li ◽  
Zhen Ying Huang ◽  
...  
Keyword(s):  
Mechanical Properties ◽  
Vickers Hardness ◽  
Hot Pressing ◽  
Sintering Temperature ◽  
Sintering Process ◽  
Vacuum Sintering ◽  
New Type ◽  
Sintering Conditions ◽  
The Relationship ◽  
Better Than

In this paper, a new type of Ti3SiC2/Cu composites with the volume fractions of 30% Ti3SiC2 particle was prepared by hot pressing and vacuum sintering respectively. The effects of sintering temperature and holding time on the density, resistance and Vickers hardness of Cu-30vol%Ti3SiC2 composite were investigated. The results show that the mechanical properties of the composites prepared by hot pressing are better than that prepared by vacuum sintering. The relative densities of Cu-30vol% Ti3SiC2 composites are rather high in suitable sintering conditions. It achieved 100% for the composites prepared by hot pressing at 930°C for 2h, and 98.4% for the composites prepared by vacuum sintering at 1250°C for 1h. At the same time, the maximum Vickers hardness reached 1735MPa at 900°C by hot pressing. The resistance and Vickers hardness of the composites decreased with an increase in sintering temperature, whereas the density increased. Scanning electron microscope (SEM) and energy-dispersive spectroscopy (EDS) were used to observe the microstructure of the composites. The relationship between microstructure and mechanical properties was discussed.

Effect of Vacuum-Sintering Temperature on Magnetic and Mechanical Properties of TiC-TiN-Ni-Mo-C Cermets

2018 ◽  
Vol 49 (8) ◽  
pp. 3550-3555 ◽  
Author(s):  
Man Zhang ◽  
Qingqing Yang ◽  
Weihao Xiong ◽  
Shiquan Zhou ◽  
Shengqing Wang ◽  
...  
Keyword(s):  
Mechanical Properties ◽  
Sintering Temperature ◽  
Vacuum Sintering

First-principles study of phase stability, electronic and mechanical properties of plutonium sub-oxides

2019 ◽  
Vol 21 (30) ◽  
pp. 16818-16829 ◽  
Author(s):  
P. S. Ghosh ◽  
A. Arya
Keyword(s):  
Mechanical Properties ◽  
Density Functional Theory ◽  
Phase Stability ◽  
First Principles ◽  
Density Functional ◽  
Functional Theory ◽  
First Principles Study ◽  
Hubbard Parameter ◽  
Formation Energies

Formation energies of PuO2, α-Pu2O3 and sub-oxides PuO2−x (0.0 < x < 0.5) are determined using density functional theory employing generalised gradient approximation corrected with an effective Hubbard parameter.

scholarly journals Alloying effects of Ag on grain boundaries and alumina interfaces in copper: a first principles prediction

RSC Advances ◽  
2017 ◽  
Vol 7 (76) ◽  
pp. 48230-48237 ◽  
Author(s):  
F. Teng ◽  
G. Q. Lan ◽  
Y. Jiang ◽  
M. Song ◽  
S. J. Liu ◽  
...  
Keyword(s):  
Mechanical Properties ◽  
Grain Boundaries ◽  
First Principles ◽  
Oxide Dispersion Strengthened ◽  
Oxide Dispersion ◽  
Oxide Interfaces ◽  
Alloying Effects

The mechanical properties of oxide dispersion-strengthened copper are largely dictated by its internal interfaces, i.e. the oxide interfaces and the grain boundaries (GBs).

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