ProMaterial+

https://drive.google.com/file/d/1maLXqV4F6Cvq4fVhSwrfj770J1GjbQsJ/view?usp=sharing

https://github.com/mcallela/APP

EASY MATERIAL is a GUI, an interface designed that uses the reading direction from left to right with which the user is accustomed, saving time with its familiarization, EASY MATERIAL is a GUI that provides variables of molecular dynamics, which are used with each other and with them make a decision in the design of alloys; uses Python (figure 1), Qt Designer (figure 2), Visual Studio grabarCode (figure 3) and LAMMPS tools to build graphical user interfaces, these tools are powered by the Matplotlib (figure 4), Periodic table Mendeleev, AtomMan libraries (figure 5) and in some cases by user variables. 

Figure 1: Python applicated to our test for example of Hume Ruthery´s Module

Figure 2. Example of QtDesigner for our GUI

Figure 3 Visual Studio

Figure 4. Matplotlib as a support for our code in Python

Figure 5 AtomMan simulation example

The design of the interface is done in Canva´s Website (figure 6) and Microsoft PowerPoint 365 (figure 7) for; all this information was stored in Google Drive and Google Docs for make the access easier for team’s members (figure 8). With information and changes in real time, Demo and Project were edited at the same time.

Because the user is already accustomed to this way of presenting information; since the first contact, the user is willing to wait for the result and then decide or even save and share the results with others for feedback.

Figure 6. Use of canva for edit color, titles, graphic interface in general

Figure 7. General view of slides support for demo video in PowerPoint 365

Figure 8. Google drive as a resource for stored some materials of support 

To record our Demo, we use a “Texto to speech online”´s web; from our speech it allowed us to create an audio file and then integrated to our video

In adition to the interactive tools (like google drive and google docs), we keep our communication using Microsoft Teams (figure 9)

Figure 9. Use of Microsoft Teams for conferences of the team

For the future our expectations are the integration of another resources, we already made a back-end based on PyCalphad to show an API (where the user can see Phase´s Diagrams as a function of Pressure and Temperature) but it is not integrate to our Python code (fig 10).

Figure 10. Software PyCalphan 

AtoMman 1.4.0:

 Atomistic Manipulation Toolkit, Atomistic manipulation tools provide variables to create, represent, manipulate and analyze atomic systems of atoms on a large scale; in our example code we show one easy simulation for determinate the velocities of a determinated number of particles and temperature (fig. 1).

LAMMPS:

 The code allows obtaining information on the interactions of variables provided by the user of molecular dynamics, with the aim of obtaining information for the modeling of materials.

-Phyton 3.7:

Being a versatile programming language, it has an open source license that allows its easy integration with atomman and Lammps, with its simplicity to automate processes in the GUI and check errors on the creation of the GUI. Our code is an approximation for the final result of the interface 

Minerva: It was the first hackathon of my life, although I don't know about programming, I decided to accept the risk, because the challenge itself inspired me, and to be able to help others. I knew my limits, and my ability to solve problems in a short time. Teamwork and respectful communication were key.

Jesús: A challenge is always interesting, it´s an easy way to develop skills; in two days I learned a lot about my own abilities, my personal management with others, ways to solve problemas and above all that “keep it simple” is more than a simple sentence, this idea allowed me get a efficient result.

Juan Carlos: I feel satisfied, for having had the opportunity to work as a team and achieve the established goal.

Mario Alberto: Some time ago, technologies fully entered my life to improve and facilitate my daily activities, of course this challenge has given me a lot of experience in the development of applications in an area that I did not know, such as the area of earth metals. . I am very grateful to my team that we did a good job.

Federico:Fede: It was my first hackathon, I learned about materials, I met friends and I had fun.

1.  Python 3.7 .
2. Qt Designer 5.11.
3. Visual Studio Code 1.6 .
4. Matplotlib 3.4.3.
5. Periodic table Mendeleev.
6. Canva website.
7. Microsoft PowerPoint 365.
8. Microsoft Teams
9. Google Drive.
10.  Google Docs.
11. AtomMan 1.4.0.
12. LAMMPS.
13. Pycalphad
14. voz artificial

#dinamicamolecular, #GUI, #Nasa Etiquetas #dinamicamolecular, #GUI, #NASA, #MaterialScience, #DFT, #technology, #computer, #software, #teamwork, #apps,

This project has been submitted for consideration during the Judging process.