High-temperature phase stability and phase transformations of Niobium-Chromium Laves phase: Experimental and first-principles calculation studies

A first step towards understanding thermomechanical behavior of the Nb-Cr system through interatomic potential development and molecular dynamics simulations

“…While there is a dearth of information on the behavior of solid solution Nb-Cr alloys in the literature, the mechanical properties of NbCr 2 -based alloys have been studied at length 1,3,4,[14][15][16][17][18][19][20][21][22][23][24][25] . As NbCr 2 exhibits high thermal stability and exceptional corrosion and creep resistance due to its highly-complex close-packed crystal structure 22 , material applications span a wide range.…”

“…Aufrecht et al 29 triggered the debate, determining that the C15 to C14 phase transition around 1800 K did not occur for sufficiently pure NbCr alloys and stated that previous experimental studies supporting the existence of an equilibrium C14 state did not adhere to rigorous purity and cleanliness standards. However, in 2023, Hajra et al 25 claimed to resolve the matter, predicting a C15 to C14 transition at 1971 K via DFT and a C36 (another Laves structure) to C14 transition below 1273 K via experimental methods. In this work, we attempt to address some of these issues and gain insight into the effects of Cr solutes in Nb by developing structure-property relationships based on molecular dynamics simulations performed using an interatomic potential we developed for the Nb-Cr system.…”

Research Trends in the Directed Energy Deposition Method of Heterogeneous Materials

“…Metal Additive Manufacturing (AM) or 3D printing is gaining significant attention across various industries due to its ability to economically produce components with excellent strength, durability, and corrosion resistance [1][2][3][4][5][6][7][8][9][10][11][12][13][14] . The microstructure of metal materials produced through 3D printing exhibits a wide range of forms, primarily influenced by material properties and process variables such as heat input, scanning speed, layer thickness, and others.…”