HEA-Bench: An AI-Agent-Optimized Calculator of High-Entropy Alloy and Oxide Descriptors and Phase-Prediction Rules

David Fieser1, Unmanaa Dewanjee1, Anming Hu1

  • 1Department of Mechanical and Aerospace Engineering, University of Tennessee, 1512 Middle Drive, Knoxville, TN 37996, USA.

Abstract

Related Concept Videos

Non-equilibrium in the Cell01:16

Non-equilibrium in the Cell

An important concept in studying metabolism and energy is that of chemical equilibrium. Most chemical reactions are reversible. They can proceed in both directions, releasing energy into their environment in one direction, and absorbing it from the environment in the other direction. The same is true for the chemical reactions involved in cell metabolism, such as the breaking down and building up of proteins into and from individual amino acids, respectively. Reactants within a closed system...
The Phase Rule01:20

The Phase Rule

The phase rule describes the relationship between the variance (degrees of freedom), the number of components, and the number of phases in a system at equilibrium.Variance is a concept that denotes the number of independent intensive properties (properties are those that do not depend on the amount of material in the system), such as temperature, pressure, and composition, that can be altered without impacting the number of phases in equilibrium.In a single-component system, such as pure water,...
Atomic Emission Spectroscopy: Lab01:29

Atomic Emission Spectroscopy: Lab

AES is a powerful analytical technique, especially effective when used with plasma sources, producing abundant spectra in characteristic emission lines. The Inductively Coupled Plasma (ICP), in particular, yields superior quantitative analytical data due to its high stability, low noise, low background, and minimal interferences under optimal experimental conditions. However, newer air-operated microwave sources are emerging as promising alternatives that could be more cost-effective than...
Standard Entropy Change for a Reaction03:00

Standard Entropy Change for a Reaction

Entropy is a state function, so the standard entropy change for a chemical reaction (ΔS°rxn) can be calculated from the difference in standard entropy between the products and the reactants.