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At least 703 records · Page 39

Theoretical studies on the relationship between the thermionic work functions of refractory-metal intermetallic compounds and their electronic and crystal structures Final summary report

The Group VIA-Re binary systems are characterized by the presence of several intermediate phases. The u phase is present in all of the systems, but the a-Mn phases occur in only the Mo-Re and W-Re systems. The occurrence of these intermediate phases appears to be governed largely by electronic factors and is predictable on the basis of electron/atom ratio. The thermionic work functions of the intermediate phase materials were experimentally determined. function and the screening of the outermost electrons in the Group VIA metals was found. A correlation between the work As might be expected for purely metallic substances, the work functions were relatively high, in the range 4. 5 to 5. 0 eV, and in each case were bracketed by the work functions of the pure constituents. A discontinuous change in the average work function with composition is proposed, based on a thermodynamical treatment of the electron vapor.

REFRACTORY METAL↗

Refractory Organics in Comet 67P Churyumov-Gerasimenko: Additional Evidence for Large-scale Mixing in the Primitive Solar Nebula?

The COSIMA instrument onboard the Rosetta spacecraft collected and analyzed samples of individual particles from the coma of Comet67P/ Churyumov-Gerasimenko. Initial results of the analysis of several particles have been presented elsewhere while analyses of the organic component of the dust particles has been shown to compare favor ably to laboratory spectra of IOM extracted from the Orguil and Murchison meteorites. Here we will compare the spectra of the same two particles to laboratory spectra of organic grain coatings produced via Surface Mediated Reactions of CO, H2 and N2 on amorphous iron silicate grains.

Refractory Organics↗

Treatment of refractory oral lichen planus using direct antiviral agents in a patient with chronic hepatitis C: A case report

Abstract Oral lichen planus (OLP) is a chronic inflammatory and immunologically mediated mucocutaneous disease with a high prevalence in hepatitis C virus (HCV)‐infected patients. Interferon (IFN)‐free direct‐acting antiviral drugs (DAA) have been recommended for the treatment of patients with extrahepatic manifestations of HCV infection. Herein, we present the case of a 65‐year‐old woman who was diagnosed with OLP and chronic hepatitis C. She received DAA treatment with sofosbuvir (SOF) and ribavirin (RBA) at 75 years of age, which led to partial disappearance of the OLP and complete eradication of HCV. Thus, the patient was effectively treated without any major side effects.

Harada, Koji↗

Senary refractory high-entropy alloy HfNbTaTiVZr

Discovery of new single-phase high-entropy alloys (HEAs) is important to understand HEA formation mechanisms. The present study reports computational design and experimental validation of a senary HEA, HfNbTaTiVZr, in a body-centered cubic structure. The phase diagrams and thermodynamic properties of this senary system were modeled using the CALPHAD method. Its atomic structure and diffusion constants were studied using ab initio molecular dynamics simulations. Here, the microstructure of the as-cast HfNbTaTiVZr alloy was studied using X-ray diffraction and scanning electron microscopy, and the microsegregation in the as-cast state was found to qualitatively agree with the solidification predictions from CALPHAD. Supported by both simulation and experimental results, the HEA formation rules are discussed.

36 MATERIALS SCIENCE↗

MC Carbide Characterization in High Refractory Content Powder-Processed Ni-Based Superalloys

Carbide precipitates in Ni-based superalloys are considered to be desirable phases that can contribute to improving high-temperature properties as well as aid in microstructural refinement of the material; however, they can also serve as crack initiation sites during fatigue. To date, most of the knowledge pertaining to carbide formation has originated from assessments of cast and wrought Ni-based superalloys. As powder-processed Ni-based superalloys are becoming increasingly widespread, understanding the different mechanisms by which they form becomes increasingly important. Detailed characterization of MC carbides present in two experimental high Nb-content powder-processed Ni-based superalloys revealed that Hf additions affect the resultant carbide morphologies. This morphology difference was attributed to a higher magnitude of elastic strain energy along the interface associated with Hf being soluble in the MC carbide lattice. The composition of the MC carbides was studied through atom probe tomography and consisted of a complex carbonitride core, which was rich in Nb and with slight Hf segregation, surrounded by an Nb carbide shell. The characterization results of the segregation behavior of Hf in the MC carbides and the subsequent influence on their morphology were compared to density functional theory calculations and found to be in good agreement, suggesting that computational modeling can successfully be used to tailor carbide features.

Materials Science↗

A systematic analysis of phase stability in refractory high entropy alloys utilizing linear and non-linear cluster expansion models

We report that obtaining surrogate models for various types of materials has long been a goal of computational material scientists and physicists, as they allow the calculation of thermodynamic quantities and properties of interest far more efficiently than DFT. Many surrogate models, including interatomic potentials generated by machine learning algorthims and cluster expansions, rely on incorporating many-body interactions such as three-body or four-body interactions. When utilizing machine learning algorithms for interatomic potentials, it is common to start with two-body interactions and systematically include three- and four-body clusters to improve the fit, stopping when including the additional clusters does not measurably change the predictive power of the model. In cluster expansions for FCC and related lattices, it is often enough to include mostly two-body interactions and a handful of three-body interactions. However, it remains to be seen whether those will be enough in the case of lattices with a lower packing fraction, such as BCC.

36 MATERIALS SCIENCE↗