Engineering topics

Nikolai A. Zarkevich

Publications and source records attributed to Nikolai A. Zarkevich.

6 records

NASA NTRS2023

A 3D Printable Alloy Designed for Extreme Environments

Multiprincipal-element alloys are an enabling class of materials owing to their impressive mechanical and oxidation-resistant properties, especially in extreme environments. Here we develop a new oxide-dispersion-strengthened NiCoCr-based alloy using a model-driven alloy design approach and laser-based additive manufacturing. This oxide-dispersion-strengthened alloy, called GRX-810, uses laser powder bed fusion to disperse nanoscale Y 2 O 3 particles throughout the microstructure without the use of resource-intensive processing steps such as mechanical or in situ alloying. We show the successful incorporation and dispersion of nanoscale oxides throughout the GRX-810 build volume via high-resolution characterization of its microstructure. The mechanical results of GRX-810 show a twofold improvement in strength, over 1,000-fold better creep performance and twofold improvement in oxidation resistance compared with the traditional polycrystalline wrought Ni-based alloys used extensively in additive manufacturing at 1,093 °C. The success of this alloy highlights how model-driven alloy designs can provide superior compositions using far fewer resources compared with the ‘trial-and-error’ methods of the past. These results showcase how future alloy development that leverages dispersion strengthening combined with additive manufacturing processing can accelerate the discovery of revolutionary materials.

Timothy M. Smith↗

NASA NTRS2022

High-precision predictions of properties of chemically disordered crystals

Multiple scattering theory (MST) combined with density functional theory (DFT) allows to predict properties of chemically disordered materials from the first principles. However, such predictions often suffer from the systematic errors, which depend on crystal geometry. Each computed property of a particular crystal structure typically has a relatively small random error and a larger systematic error. Cancellation of systematic errors allows more accurate predictions. We propose a computational methodology based on the subtraction of the systematic errors in MST. To exemplify it, we apply it to the precipitated alloys. Considering precipitation strengthening in Ni superalloys, we compute the relative enthalpies of the competing Ni_3(Al_{1-x}Ti_x)_1 crystal structures with a chemical disorder on the Al+Ti sublattice. Such predicted composition-structure-property dependencies are useful for the guided design of the next-generation alloys with improved strength. Our predictions are validated by comparison with the results of other DFT methods (having a higher computational cost) and with experiment.

density functional theory↗

NASA NTRS2021

Utilizing local phase transformation strengthening for nickel-based superalloys

Almost 75 years of research has been devoted to producing superalloys capable of higher operating temperatures in jet turbine engines, and there is an ongoing need to increase operating temperature further. Here, a new disk Nickel-base superalloy is designed to take advantage of strengthening atomic-scale dynamic complexions. This local phase transformation strengthening provides the alloy with a three times improvement in creep strength over similar disk superalloys and comparable strength to a single crystal blade alloy at 760 °C. Ultra-high-resolution chemical mapping reveals that the improvement in creep strength is a result of atomic-scale η (D024) and χ (D019) formation along superlattice stacking faults. To understand these results, the energy differences between the L12 and competing D024 and D019 stacking fault structures and their dependence on composition are computed by density functional theory. This study can help guide researchers to further optimize local phase transformation strengthening mechanisms for alloy development.

Timothy M. Smith↗

NASA NTRSDate not supplied

Diversity of Energy Generation and Storage Methods on the Lunar Surface

Solar light, solar wind, differences between temperatures of the lunar surface, solar photosphere, and deep space, as well as noticeable changes of surface temperature in the absence of atmosphere provide opportunities for energy production and storage on the Moon using generators ranging from solar panels and thermocouples to devices using phase transitions or magnetism. There are multiple and diverse possibilities for energy generation and storage. Compositions of the relevant materials can be compared to abundances of chemical elements in lunar regolith.

Energy↗

NASA NTRSDate not supplied

MLtool++ package for machine learning and its applications to materials data

We are developing Mltool++ package of software programs for machine learning (ML). Given the MLtool Python code, we create a faster C++ code with the potential for parallelization. We have extracted materials data from the literature. One dataset contains melting temperatures of stoichiometric 1:1 metallic compounds XZ, composed by elements X={Al, Ti, V, Cr, Zr, Nb, Mo, Hf, Ta, W} and Z={Co, Ni, Cu, Rh, Pd, Ag, Ir, Pt, Au}, and another contains solid-solid symmetry-breaking phase transition temperatures. We studied dependences of temperatures on composition, found several correlations, and parametrized them by analytical functions. Mltool++ package is generic and applicable to any tabulated numeric data.

Pierce M. Pettit↗

NASA NTRSDate not supplied

Energy landscape in Ni-Co-Cr and related alloys

Among multi-principal element alloys, the NiCoCr middle-entropy alloy has an outstanding combination of strength and ductility at both low and elevated temperatures. Equiatomic NiCoCr is a single-phase alloy with the face centered cubic (fcc) crystal structure. A low stacking fault energy in the fcc matrix is a cause of a relatively low creep in this alloy. The hexagonal close-packed (hcp) structure differs from the fcc by a stacking of atomic layers. The energy difference between the hcp and fcc structures is known to correlate with the stacking fault energy in the fcc phase. We compute formation and relative structural energies versus composition in the Ni-Co-Cr ternary and related quaternary systems, discuss possibilities of compositional adjustments, and compare theoretical predictions with experiment. We acknowledge funding by NASA’s Aeronautics Research Mission Directorate (ARMD) via Transformational Tools and Technologies (TTT) Project.

Multiscale↗