High-Level Project Summary
In the project, what I did was propose a program that consists of obtaining information on materials and all the chemical elements, and also plans to carry out molecular dynamics simulations using open source software and languages.We suggest a program that can work exclusively to obtain material data of all chemical elements with their respective mechanical, physical, chemical properties such as alloys, etc.We consider it important because we project a computational tool that could be very far reaching in the field of materials science simulations.
Link to Project "Demo"
Link to Final Project
Detailed Project Description
The project consists of giving different types of information such as the table of existing elements, alloys that can be made between metallic materials, giving information on the result of said alloys, as well as a section in which you can see and modify the coding used On other pages regarding material properties, which are selected by the user, it also provides extensive theoretical information on materials, as well as their respective applications.
The user will have access to the different pages of the program through an initial menu, and within each page there will be buttons that will help them to do a faster and more efficient search.
Unity, inventor, blender was used.
Space Agency Data
It came to use in the form of descriptive analysis all the resources provided on the page in order to make a very intuitive interface for the user, as information used is the link with the calculation packages of materials science modeling
Hackathon Journey
The experience was wonderful, because I learned various topics that I previously ignored and now I know they are very important, this challenge that was chosen is very important when building tools for space travel.
I thank NASA and all the organizers who collaborated to make this Hackathon possible.
References
• LAMMPS molecular dynamics simulator
• Density Functional Theory (DFT) codes
Links to DFT codes for the entire community.
• NIST DFT web page and material codes with links
• Materials repository
• Python Atomman / LAMMPS Toolkit
• High performance iprPy computational framework
It allows the development of the general workflow of various calculation tools.
• NIST refers to external resources for calculating materials
Tags
#spaceapps,#laboratory,#investigation,#GUI for materials science
Global Judging
This project has been submitted for consideration during the Judging process.