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All sources NASA NTRS DOE OSTI

NASA NTRS2011

Improved Mo-Re VPS Alloys for High-Temperature Uses

Dispersion-strengthened molybdenum- rhenium alloys for vacuum plasma spraying (VPS) fabrication of high-temperature-resistant components are undergoing development. In comparison with otherwise equivalent non-dispersion-strengthened Mo-Re alloys, these alloys have improved high-temperature properties. Examples of VPS-fabricated high-temperature-resistant components for which these alloys are expected to be suitable include parts of aircraft and spacecraft engines, furnaces, and nuclear power plants; wear coatings; sputtering targets; x-ray targets; heat pipes in which liquid metals are used as working fluids; and heat exchangers in general. These alloys could also be useful as coating materials in some biomedical applications. The alloys consist of 60 weight percent Mo with 40 weight percent Re made from (1) blends of elemental Mo and Re powders or (2) Re-coated Mo particles that have been subjected to a proprietary powder-alloying-and-spheroidization process. For most of the dispersion- strengthening experiments performed thus far in this development effort, 0.4 volume percent of transition-metal ceramic dispersoids were mixed into the feedstock powders. For one experiment, the proportion of dispersoid was 1 volume percent. In each case, the dispersoid consisted of either ZrN particles having sizes <45 m, ZrO2 particles having sizes of about 1 m, HfO2 particles having sizes <45 m, or HfN particles having sizes <1 m. These materials were chosen for evaluation on the basis of previously published thermodynamic stability data. For comparison, Mo-Re feedstock powders without dispersoids were also prepared.

Hickman, Robert↗

NASA NTRS2022

Ab initio Screening of Refractory Nitrides and Carbides for High Temperature Hydrogen Permeation Barriers

Density functional theory was used to screen eleven refractory materials – two pure metals, six nitrides, and three carbides–as high-temperature hydrogen permeation barriers to prevent hydrogen embrittlement. Activation energies were calculated for atomic hydrogen (H) diffusion into the first subsurface layer from the lowest energy surface of the high-temperature phase of each candidate material. The candidate barrier materials with the highest activation energies are h-BN, c-BN, HfN, and ZrN with predicted barriers of 3.25 eV, 3.23 eV, 3.14 eV, and 2.76 eV, respectively. Strain energies, Bader charges, and density of states were calculated for the diffusing H at the relaxed initial state and the transition state to provide insight into contributing factors to high energy barriers. The diffusing H atom in materials with the highest predicted barriers are protic. In addition, interstitial H atoms induce mid-gap states in the density of states of both BN polymorphs. The nitrogen retention of each nitride material at high temperatures was predicted using nitrogen vacancy formation energies with respect to gaseous nitrogen. Experimental evaluation of nitrogen retention in h-BN, ZrN, and TiN confirmed their resistance to nitrogen loss at 1773 K. However, of these nitrides, TiN is predicted to be the least stable. This work identifies multiple promising materials that are predicted to be effective hydrogen barriers at high temperatures and that are stable at temperatures above 2700 K, with BN predicted to perform best.

Density Functional Theory (DFT)↗