On Correlations between Local Chemistry, Distortions and Kinetics in High Entropy Nitrides: An Ab Initio Study

Nayak, Ganesh Kumar; Kretschmer, A.; Mayrhofer, Paul H.; Holec, David

doi:10.2139/ssrn.4309295

Cited by 1 publication

(1 citation statement)

References 0 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…However, the properties of an element in its pure state can differ from those in a solid solution state. [4] These four core effects can lead HEMs to have distinctive properties compared to conventional ones, but do not solely depend on the number of elements (i.e., the configuration entropy) [14] also the type of elements involved is decisive. Because of these unique effects, HEMs can demonstrate prominent characteristics such as high hardness, [15][16][17][18] good wear resistance, [19][20][21] excellent corrosion resistance, [22][23][24][25] outstanding thermal stability, [26][27][28] excellent oxidation resistance, [29][30][31] and could be utilized in various applications including solar absorbers, [32][33][34][35][36][37] fuel cells, [25,38] thermal barriers, [39,40] diffusion barriers, [41][42][43] lithium-ion batteries, [44] antiglass sticking, [21,45] microdrills, [46] and medical applications.…”

Section: Introductionmentioning

confidence: 99%

Atomic Radius Mismatch: A Key Parameter for Design and Synthesis of High‐Entropy Physical Vapor Deposition Coatings—Review

Lotfi‐Khojasteh,

Elmkhah,

Nouri

et al. 2024

Adv Eng Mater

View full text Add to dashboard Cite

High‐entropy metal sublattice coatings (HESCs) prepared by physical vapor deposition (PVD) have received attention due to their diverse range of properties and applications. One of the most critical requirements for their synthesis is the prediction and control of their wide‐spread properties, and several efforts have been undertaken using various thermodynamical parameters. The majority of these predictions concentrate on high‐entropy alloys (HEAs) while high‐entropy ceramics (HECs) received little attention. One of the most important parameters to control the structure and properties of HEAs is their atomic radius mismatch (δr), which we apply to crystalline, amorphous, and composite (amorphous matrix, crystalline matrix, and multilayer) HESCs. Based on the relationships between δr and structure, mixing enthalpy (ΔHmix), electronegativity difference (Δχ), ion bonding percentage (IBPHE), mechanical properties (including hardness, H, and Young’s modulus, E), and wear performance descriptors (H/E and H3/E2 ratios) we provide a δr‐based map to aid the design and selection of elements for HESCs.This article is protected by copyright. All rights reserved.

show abstract