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Charit, Indrajit

Publications and source records attributed to Charit, Indrajit.

53 records · Page 3

ZrB 2 -HfB 2 solid solutions as electrode materials for hydrogen reaction in acidic and basic solutions

Spark plasma sintered transition metal diborides such as HfB 2 , ZrB 2 and their solid solutions were investigated as electrode materials for electrochemical hydrogen evolutions reactions (HER) in 1 M H 2 SO 4 and 1 M NaOH electrolytes. HfB 2 and ZrB 2 formed complete solid solutions when mixed in 1:1, 1:4, and 4:1 ratios and they were stable in both electrolytes. The HER kinetics of the diborides were slower in the basic solution than in the acidic solutions. The Tafel slopes in 1 M H 2 SO 4 were in the range of 0.15 - 0.18 V/decade except for pure HfB 2 which showed a Tafel slope of 0.38 V/decade. In 1 M NaOH the Tafel slopes were in the range of 0.12 - 0.27 V/decade. The composition of Hf x Zr 1-x B 2 solid solutions with x = 0.2 - 0.8, influenced the exchange current densities, overpotentials and Tafel slopes of the HER. As a result, the EIS data were fitted with a porous film equivalent circuit model in order to better understand the HER behavior. In addition, modeling calculations, using density functional theory approach, were carried out to estimate the density of states and band structure of the boride solid solutions.

25 ENERGY STORAGE↗

Metal-Rich Transition Metal Diborides as Electrocatalysts for Hydrogen Evolution Reactions in a Wide Range of pH

Solid solutions of HfB 2 -ZrB 2 mixtures were prepared by high-energy ball milling of diboride and additive powders followed by spark plasma sintering (SPS). A mixture of stoichiometric 1:1 HfB 2 -ZrB 2 borides was the base composition to which Hf, Zr, Ta, LaB 6 or Gd 2 O 3 was added. Hf, Zr and Ta were added in order to bring the boron-to-metal ratio down to 1.86, rendering the boride as MeB 1.86 . In the case of LaB 6 and Gd 2 O 3 , 1.8 mol% was added. Electroanalytical behavior of hydrogen evolution reactions was evaluated in 1 M H 2 SO 4 and 1 M NaOH solutions. The LaB 6 additive material showed Tafel slopes of 125 and 90 mV/decade in acidic and alkaline solutions respectively. The Hf and Zr rich samples showed Tafel slopes of about 120 mV/decade in both electrolytes. The over potentials of hydrogen evolution reactions (at 10 mA/cm 2 ) in the alkaline solution were about 100 mV lower than those in acidic solution. The metal-rich diborides and addition of LaB 6 showed better hydrogen evolution reaction (HER) activities than the base 1:1 HfB 2 -ZrB 2 stoichiometric diboride solid solution. Furthermore, the higher activity of metal-rich borides could be attributed to the increased electron population at the d-orbitals of the metal shown by band structure modeling calculations using the Density Functional Theory approach.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Lanthana-bearing nanostructured ferritic steels via spark plasma sintering

Here, a lanthana-containing nanostructured ferritic steel (NFS) was processed via mechanical alloying (MA) of Fe-14Cr-1Ti-0.3Mo-0.5La 2 O 3 (wt.%) and consolidated via spark plasma sintering (SPS). In order to study the consolidation behavior via SPS, sintering temperature and dwell time were correlated with microstructure, density, microhardness and shear yield strength of the sintered specimens. A bimodal grain size distribution including both micron-sized and nano-sized grains was observed in the microstructure of specimens sintered at 850, 950 and1050 °C for 45 min. Significant densification occurred at temperatures greater than 950 °C with a relative density higher than 98%. A variety of nanoparticles, some enriched in Fe and Cr oxides and copious nanoparticles smaller than 10 nm with faceted morphology and enriched in La and Ti oxides were observed. After SPS at 950 °C, the number density of Cr–Ti–La–O-enriched nanoclusters with an average radius of 1.5 nm was estimated to be 1.2 × 10 24 m –3 . The La + Ti:O ratio was close to 1 after SPS at 950 and 1050 °C; however, the number density of nanoclusters decreased at 1050 °C. With SPS above 950 °C, the density improved but the microhardness and shear yield strength decreased due to partial coarsening of the grains and nanoparticles.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Sintering behavior of Lanthana-bearing nanostructured ferritic steel consolidated via spark plasma sintering

Elemental powder mixture of Fe–14Cr–1Ti–0.3Mo–0.5La 2 O 3 (wt%) composition is mechanically alloyed for different milling durations (5, 10 and 20 h) and subsequently consolidated via spark plasma sintering under vacuum at 950 °C for 7 min. The effects of milling time on the densification behavior and density/microhardness are studied. The sintering activation energy is found to be close to that of grain boundary diffusion. The bimodal grain structure created in the milled and sintered material is found to be a result of milling and not of sintering alone. The oxide particle diameter varies between 2 and 70 nm. As a result, faceted precipitates smaller than 10 nm in diameter are found to be mostly La–Ti–Cr-enriched complex oxides that restrict further recrystallization and related phenomena.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

TAOI B- Computational Microstructural Optimization Design Tool for High Temperature Structural Materials

The objectives of this research were two-fold: (a) develop a methodology for microstructural optimization of alloys - genetic algorithm approach for alloy microstructural optimization using theoretical models based on fundamental micro-mechanisms, and (b) develop a new computationally designed Ni-Cr alloy for coal-fired power plant applications. The broader outcome of these objectives is expected to be creation of an integrated approach for ‘structural materials by microstructural design’. Three alloy systems were considered for computational optimization and validation, (i) Ni-20Cr (wt.%) base alloy using only solid solution strengthening, (ii) nano-Y 2 O 3 containing Ni-20Cr-1.2Y 2 O 3 (wt.%) alloy for dispersion strengthening and (iii) a sub-micron Al 2 O 3 for composite strengthening, Ni-20Cr-1.2Y 2 O 3 -5.0Al 2 O 3 (wt.%). The specimens were synthesized by mechanical alloying and consolidated using spark plasma sintering. Detailed microstructural characterization was done along with initial mechanical properties to validate the computational prediction. A key target property is to have creep rate of 1x10 -9 s -1 at 100 MPa and 800°C. The initial results were quite promising and require additional quantification of strengthening contributions from dislocation-particle attractive interaction and load transfer. The observed creep rate was in order of 10 -9 s -1 for longer time creep test of Ni-20Cr -1.2Y 2 O 3 -5Al 2 O 3 , lending support to the overall approach pursued in this project.

36 MATERIALS SCIENCE↗

Effect of heat treatment on microstructure and hardness of Grade 91 steel

The modified 9Cr-1Mo steel (Grade 91) is a material of choice in fossil-fuel-fired power plants with increased efficiency, service life, and reduction in emission of greenhouse gases. It is also considered a prospective material for the Next Generation Nuclear Power Plant for application in reactor pressure vessels at temperatures up to 650°C. In this paper, heat treatment of the modified 9Cr-1Mo steel was studied by normalizing and tempering the steel at various temperatures and times, with the ultimate goal of improving its creep resistance and optimizing material hardness. The microstructural evolution of the heat treated steels was correlated with the differential scanning calorimetric results. Optical microscopy, scanning and transmission electron microscopy in conjunction with microhardness profiles and calorimetric plots were used to understand the evolution of microstructure including precipitate structures in modified 9Cr-1Mo steel and relate it to the mechanical behavior of the steel. Thermo-CalcTM calculations were used to support experimental work and provide guidance in terms of the precipitate stability and microstructural evolution. Furthermore, the carbon isopleth and temperature dependencies of the volume fraction of different precipitates were constructed. The predicted and experimentally observed results were found to be in good agreement.

20 FOSSIL-FUELED POWER PLANTS↗

Prediction and Monitoring Systems of Creep-Fracture Behavior of 9Cr-1Mo Steels for Teactor Pressure Vessels

A recent workshop on next-generation nuclear plant (NGNP) topics underscored the need for research studies on the creep fracture behavior of two materials under consideration for reactor pressure vessel (RPV) applications: 9Cr-1Mo and SA-5XX steels. This research project will provide a fundamental understanding of creep fracture behavior of modified 9Cr-1Mo steel welds for through modeling and experimentation and will recommend a design for an RPV structural health monitoring system. Following are the specific objectives of this research project: Characterize metallurgical degradation in welded modified 9Cr-1Mo steel resulting from aging processes and creep service conditions; Perform creep tests and characterize the mechanisms of creep fracture process; Quantify how the microstructure degradation controls the creep strength of welded steel specimens; Perform finite element (FE) simulations using polycrystal plasticity to understand how grain texture affects the creep fracture properties of welds; Develop a microstructure-based creep fracture model to estimate RPVs service life; Manufacture small, prototypic, cylindrical pressure vessels, subject them to degradation by aging, and measure their leak rates; Simulate damage evolution in creep specimens by FE analyses; Develop a model that correlates gas leak rates from welded pressure vessels with the amount of microstructural damage; Perform large-scale FE simulations with a realistic microstructure to evaluate RPV performance at elevated temperatures and creep strength; Develop a fracture model for the structural integrity of RPVs subjected to creep loads; and Develop a plan for a non-destructive structural health monitoring technique and damage detection device for RPVs.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Mechanical alloying of lanthana-bearing nanostructured ferritic steels

A novel nanostructured ferritic steel powder with the nominal composition Fe–14Cr–1Ti–0.3Mo–0.5La2O3 (wt.%) was developed via high energy ball milling. La2O3 was added to this alloy instead of the traditionally used Y2O3. The effects of varying the ball milling parameters, such as milling time, steel ball size and ball to powder ratio, on the mechanical properties and micro structural characteristics of the as-milled powder were investigated. Nanocrystallites of a body-centered cubic ferritic solid solution matrix with a mean size of approximately 20 nm were observed by transmission electron microscopy. Nanoscale characterization of the as-milled powder by local electrode atom probe tomography revealed the formation of Cr–Ti–La–O-enriched nanoclusters during mechanical alloying. The Cr:Ti:La:O ratio is considered “non-stoichiometric”. The average size (radius) of the nanoclusters was about 1 nm, with number density of 3.7 1024 m3. The mechanism for formation of nanoclusters in the as-milled powder is discussed. La2O3 appears to be a promising alternative rare earth oxide for future nanostructured ferritic steels.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Fabrication of Tungsten-Rhenium Cladding materials via Spark Plasma Sintering for Ultra High Temperature Reactor Applications

This research will develop an optimized, cost-effective method for producing high-purity tungsten-rhenium alloyed fuel clad forms that are crucial for the development of a very high-temperature nuclear reactor. The study will provide critical insight into the fundamental behavior (processing-microstructure- property correlations) of W-Re alloys made using this new fabrication process comprising high-energy ball milling (HEBM) and spark plasma sintering (SPS). A broader goal is to re-establish the U.S. lead in the research field of refractory alloys, such as W-Re systems, with potential applications in very high-temperature nuclear reactors. An essential long-term goal for nuclear power is to develop the capability of operating nuclear reactors at temperatures in excess of 1,000K. This capability has applications in space exploration and some special terrestrial uses where high temperatures are needed in certain chemical or reforming processes. Refractory alloys have been identified as being capable of withstanding temperatures in excess of 1,000K and are considered critical for the development of ultra hightemperature reactors. Tungsten alloys are known to possess extraordinary properties, such as excellent high-temperature capability, including the ability to resist leakage of fissile materials when used as a fuel clad. However, there are difficulties with the development of refractory alloys: 1) lack of basic experimental data on thermodynamics and mechanical and physical properties, and 2) challenges associated with processing these alloys.

36 MATERIALS SCIENCE↗

History of Resistance Welding Oxide Dispersion Strengthened Cladding and other High Temperature Materials at Center for Advanced Energy Studies

Research proposal 08-1079, 'A Comparative Study of Welded ODS Cladding Materials for AFCI/GNEP,' was funded in 2008 under an Advanced Fuel Cycle Initiative (AFCI) Research and Development Funding Opportunity, number DE-PS07-08ID14906. Th proposal sought to conduct research on joining oxide dispersion strengthen (ODS) tubing material to a solid end plug. This document summarizes the scientific and technical progress achieved during the project, which ran from 2008 to 2011.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗