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Overview of ASAP Software
Alloys Search and Predict (ASAP) is a cutting-edge web application designed to calculate enthalpy, entropy, and alloy-forming ability for various element combinations and concentrations. Its primary function is to predict the formation and stability of single-phase High-Entropy Alloys (HEAs). ASAP streamlines the process of exploring large numbers of alloy combinations, significantly reducing the time and expense required for experimental testing.
Version 2.0 (Released on 25 June 2025)
The latest release of ASAP introduces powerful new capabilities by extending beyond thermodynamic analysis to incorporate neutronics calculations. Specifically, ASAP can now:
- Predict thermodynamic properties of HEAs with high accuracy.
- Calculate the total radioactive activity (Bq/kg) after 100 years of decay cooling following 2 full-power-year (fpy)
irradiation in two environments:
- a typical Pressurized Water Reactor (PWR)
- a typical Sodium-cooled Fast Reactor (SFR)
- the first wall of a DEMO fusion reactor (DEMO FW)
- Evaluate the macroscopic neutron cross-section for candidate alloys under the same reactor conditions, providing key data for nuclear applications.
Applications of ASAP
ASAP has been utilised in various fields, including:- Nuclear Reactor Materials: Identifying alloys with low neutron absorption cross-sections and high-temperature stability.
- High-Strength Alloys: Discovering alloys with exceptional strength-to-weight ratios.
- Corrosion-Resistant Alloys: Finding alloys capable of withstanding extreme and harsh environments.
The theoretical foundation of the work is explained in the paper Predicting the formation and stability of single phase high-entropy alloys . There are three functionalities available on this website:
Basic
This function will allow the user to specify individual alloys in a text window. Up to 100 alloys can be specified with a maximum of 7 elements in each alloy.
Range Search
Use this function to search through a range of compositions of a single system. Specify a certain step size and every element will be varied to search through all of phase space.
Advanced Search
Include wildcard elements in your search to test for every different combination of elements on the periodic table. The concentration can also be varied according to a specified step size.
Acknowledgment
This project was originally conceptualised by Dr. D. J. M. King during his PhD research. It is now being further developed and expanded by Daniel Gurah as a core component of his doctoral studies. Daniel serves as the primary technical contact for the continued advancement of the ASAP platform, including the development of its neutronics capabilities.
Special thanks to Andrew McGregor, a software developer who took an interest in the initial code, converted it to Java, and implemented it into a web interface, providing a solid foundation for its current development.
A special mention goes to Dr. Simon C. Middleburgh and Prof. Michael B. Cortie for their invaluable help and guidance during the initial development phase.