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  1. Abstract

    This paper examined the effect of Si addition on the cracking resistance of Inconel 939 alloy after laser additive manufacturing (AM) process. With the help of CALculation of PHAse Diagrams (CALPHAD) software Thermo-Calc, the amounts of specific elements (C, B, and Zr) in liquid phase during solidification, cracking susceptibility coefficients (CSC) and cracking criterion based on$$\left| {{\text{d}}T/{\text{d}}f_{{\text{s}}}^{1/2} } \right|$$dT/dfs1/2values (T: solidification temperature,fs: mass fraction of solid during solidification) were evaluated as the indicators for composition optimization. It was found that CSC together with$$\left| {{\text{d}}T/{\text{d}}f_{{\text{s}}}^{1/2} } \right|$$dT/dfs1/2values provided a better prediction for cracking resistance.

    Graphical abstract

  2. Refractory complex concentrated alloys (RCCAs) have drawn increasing attention recently owing to their balanced mechanical properties, including excellent creep resistance, ductility, and oxidation resistance. The mechanical and thermal properties of RCCAs are directly linked with the elastic constants. However, it is time consuming and expensive to obtain the elastic constants of RCCAs with conventional trial-and-error experiments. The elastic constants of RCCAs are predicted using a combination of density functional theory simulation data and machine learning (ML) algorithms in this study. The elastic constants of several RCCAs are predicted using the random forest regressor, gradient boosting regressor (GBR), and XGBoost regression models. Based on performance metrics R-squared, mean average error and root mean square error, the GBR model was found to be most promising in predicting the elastic constant of RCCAs among the three ML models. Additionally, GBR model accuracy was verified using the other four RHEAs dataset which was never seen by the GBR model, and reasonable agreements between ML prediction and available results were found. The present findings show that the GBR model can be used to predict the elastic constant of new RHEAs more accurately without performing any expensive computational and experimental work.
    Free, publicly-accessible full text available July 1, 2023
  3. In this work, the performance of the carbon doped compositionally complex alloy (CCA) MoNbTaW was studied under ambient and high pressure and high temperature conditions. TaC and NbC carbides were formed when a large concentration of carbon was introduced while synthesizing the MoNbTaW alloy. Both FCC carbides and BCC CCA phases were detected in the sample compound at room temperature, in which the BCC phase was believed to have only refractory elements MoNbTaW while FCC carbide came from TaC and NbC. Carbides in the carbon doped MoNbTaW alloy were very stable since no phase transition was obtained even under 3.1 GPa and 870 °C by employing the resistor-heating diamond anvil cell (DAC) synchrotron X-ray diffraction technique. Via in situ examination, this study confirms the stability of carbides and MoNbTaW in the carbon doped CCA even under high pressure and high temperature.
  4. Hardness is an essential property in the design of refractory high entropy alloys (RHEAs). This study shows how a neural network (NN) model can be used to predict the hardness of a RHEA, for the first time. We predicted the hardness of several alloys, including the novel C0.1Cr3Mo11.9Nb20Re15Ta30W20 using the NN model. The hardness predicted from the NN model was consistent with the available experimental results. The NN model prediction of C0.1Cr3Mo11.9Nb20Re15Ta30W20 was verified by experimentally synthesizing and investigating its microstructure properties and hardness. This model provides an alternative route to determine the Vickers hardness of RHEAs.
  5. In this work, the formation of carbide with the concertation of carbon at 0.1 at.% in refractory high-entropy alloy (RHEA) Mo15Nb20Re15Ta30W20 was studied under both ambient and high-pressure high-temperature conditions. The x-ray diffraction of dilute carbon (C)-doped RHEA under ambient pressure showed that the phases and lattice constant of RHEA were not influenced by the addition of 0.1 at.% C. In contrast, C-doped RHEA showed unexpected phase formation and transformation under combined high-pressure and high-temperature conditions by resistively employing the heated diamond anvil cell (DAC) technique. The new FCC_L12 phase appeared at 6 GPa and 809 °C and preserved the ambient temperature and pressure. High-pressure and high-temperature promoted the formation of carbides Ta3C and Nb3C, which are stable and may further improve the mechanical performance of the dilute C-doped alloy Mo15Nb20Re15Ta30W20.